A0A077Z336_TRITR Loading...

NUDIX and zf-C3HC4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z336, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 441 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M71.5Confident82.2Confident25 Ų2575.5 Ų75.512%0.12337%0.37CS..  0-60.50-69.9-178.8-17100114.9K3 N4 C7 V8 N11 I69 W78 P80M1-K3 PolarHBondContact O-N 3.11Å; M1-N4 PolarHBondContact O-N 3.35Å; M1-N4 VanDerWaalsContact O-O 3.11Å; M1-C7 WeakPolarHBondContact CG-SG 3.47Å; M1-V8 HydrophobicContact CB-CG2 4.15Å; M1-N11 HydrophobicContact CE-CB 3.62Å; M1-N11 VanDerWaalsContact CE-CG 3.43Å; M1-I69 HydrophobicContact CB-CD1 3.63Å; M1-I69 HydrophobicContact CG-CD1 4.38Å; M1-I69 HydrophobicContact SD-CD1 4.14Å; M1-I69 HydrophobicContact SD-CG1 4.34Å; M1-W78 HydrophobicContact CE-CB 3.89Å; M1-W78 HydrophobicContact CG-CE3 4.47Å; M1-W78 HydrophobicContact SD-CB 4.41Å; M1-P80 HydrophobicContact SD-CB 4.29Å
2K73Confident82.6Confident124 Ų12470.3 Ų70.354%0.53934%0.344SS..THydrogen-bonded Turntrans-58.6-11.6-175.2-73.2-174.6177.6174.70117.4L66 I69K2-L66 HydrophobicContact CG-CD2 4.4Å; K2-I69 HydrophobicContact CG-CD1 4.47Å
3K78.4Confident83.1Confident210 Ų21075.1 Ų75.191%0.91337%0.365SS*.THydrogen-bonded Turntrans-104.5-12179.3-65.5-177.4178.6178.60113.9M1M1-K3 PolarHBondContact O-N 3.11Å
4N82Confident83.4Confident84 Ų8481 Ų8145%0.44938%0.381SS..  trans-139.3114.1-168.8-176-5.5000110.3M1 S6 C7 V8M1-N4 PolarHBondContact O-N 3.35Å; M1-N4 VanDerWaalsContact O-O 3.11Å; N4-S6 WeakPolarHBondContact OD1-CB 3.09Å; N4-S6 PolarHBondContact OD1-N 3.05Å; N4-C7 HydrophobicContact CB-CB 3.96Å; N4-C7 PolarHBondContact O-N 3.04Å; N4-V8 PolarHBondContact O-N 3.12Å
5D84.1Confident83.7Confident24 Ų2475.7 Ų75.713%0.12836%0.357CS..Hα-helixtrans-62.6-41.5178.6-67.9-22.4000111.7C7 V8 E9 I157 S158D5-C7 VanDerWaalsContact C-N 3.28Å; D5-C7 PolarHBondContact O-N 3.48Å; D5-V8 WeakPolarHBondContact O-CA 3.48Å; D5-V8 WeakPolarHBondContact O-CB 3.24Å; D5-V8 PolarHBondContact O-N 2.85Å; D5-E9 PolarHBondContact O-N 3.47Å; D5-I157 PolarHBondContact OD1-N 2.89Å; D5-I157 VanDerWaalsContact OD1-N 3.07Å; D5-S158 WeakPolarHBondContact OD1-CB 3.44Å; D5-S158 PolarHBondContact OD1-N 2.98Å; D5-S158 PolarHBondContact OD1-OG 3.33Å
6S85.8Confident84.2Confident59 Ų5974.8 Ų74.841%0.41335%0.352SS..Hα-helixtrans-60.3-38.6180-55.10000112.2N4 V8 E9 E10N4-S6 WeakPolarHBondContact OD1-CB 3.09Å; N4-S6 PolarHBondContact OD1-N 3.05Å; S6-V8 VanDerWaalsContact C-N 3.26Å; S6-V8 PolarHBondContact O-N 3.29Å; S6-E9 PolarHBondContact O-N 3.45Å; S6-E10 WeakPolarHBondContact O-CB 3.29Å; S6-E10 VanDerWaalsContact O-CG 3.29Å; S6-E10 WeakPolarHBondContact O-CG 3.45Å; S6-E10 PolarHBondContact O-N 2.92Å
7C84.5Confident84.5Confident30 Ų3070.4 Ų70.420%0.20333%0.331CS..Hα-helixtrans-64.4-31.3175.8-1800000112.2M1 N4 D5 N11M1-C7 WeakPolarHBondContact CG-SG 3.47Å; N4-C7 HydrophobicContact CB-CB 3.96Å; N4-C7 PolarHBondContact O-N 3.04Å; D5-C7 VanDerWaalsContact C-N 3.28Å; D5-C7 PolarHBondContact O-N 3.48Å; C7-N11 PolarHBondContact O-N 3.18Å; C7-N11 PolarHBondContact O-ND2 3.29Å
8V84.9Confident84.7Confident0 Ų066.5 Ų66.50%031%0.313CS..Hα-helixtrans-76.2-41.2176.1-177.70000110.9M1 N4 D5 S6 N11 F12 L66 F82 I157M1-V8 HydrophobicContact CB-CG2 4.15Å; N4-V8 PolarHBondContact O-N 3.12Å; D5-V8 WeakPolarHBondContact O-CA 3.48Å; D5-V8 WeakPolarHBondContact O-CB 3.24Å; D5-V8 PolarHBondContact O-N 2.85Å; S6-V8 VanDerWaalsContact C-N 3.26Å; S6-V8 PolarHBondContact O-N 3.29Å; V8-N11 CarbonylContact O-C 3.56Å; V8-N11 PolarHBondContact O-N 3.34Å; V8-F12 PolarHBondContact O-N 3.41Å; V8-L66 HydrophobicContact CG2-CD2 4.11Å; V8-F82 HydrophobicContact CG1-CE1 3.61Å; V8-F82 HydrophobicContact CG1-CZ 3.64Å; V8-I157 HydrophobicContact CB-CG2 4.18Å; V8-I157 HydrophobicContact CG1-CG2 3.68Å
9E86.4Confident85Confident101 Ų10163.1 Ų63.147%0.47230%0.297SS..Hα-helixtrans-60.2-46.9175.7-69.2170.5175.900111.6D5 S6 N11 F12 I157D5-E9 PolarHBondContact O-N 3.47Å; S6-E9 PolarHBondContact O-N 3.45Å; E9-N11 PolarHBondContact O-N 2.95Å; E9-F12 VanDerWaalsContact O-CB 3.24Å; E9-F12 WeakPolarHBondContact O-CB 3.43Å; E9-F12 PolarHBondContact O-N 3.26Å; E9-I157 HydrophobicContact CG-CD1 3.98Å; E9-I157 VanDerWaalsContact OE1-CD1 3.31Å; E9-I157 WeakPolarHBondContact OE1-CD1 3.22Å
10E87.1Confident85.1Confident153 Ų15360 Ų6072%0.71528%0.282SS*.Hα-helixtrans-60.5-31.7177.8-74.2168.8-17200113.2S6S6-E10 WeakPolarHBondContact O-CB 3.29Å; S6-E10 VanDerWaalsContact O-CG 3.29Å; S6-E10 WeakPolarHBondContact O-CG 3.45Å; S6-E10 PolarHBondContact O-N 2.92Å
11N86.9Confident85.2Confident21 Ų2157.1 Ų57.111%0.11227%0.269CS..THydrogen-bonded Turntrans-99.75-178.2-71.4-82.4000113.3M1 C7 V8 E9 E13 R14 G15 P80M1-N11 HydrophobicContact CE-CB 3.62Å; M1-N11 VanDerWaalsContact CE-CG 3.43Å; C7-N11 PolarHBondContact O-N 3.18Å; C7-N11 PolarHBondContact O-ND2 3.29Å; V8-N11 CarbonylContact O-C 3.56Å; V8-N11 PolarHBondContact O-N 3.34Å; E9-N11 PolarHBondContact O-N 2.95Å; N11-E13 PolarHBondContact O-N 3.47Å; N11-R14 PolarHBondContact O-N 3.29Å; N11-R14 VanDerWaalsContact O-N 3.13Å; N11-G15 PolarHBondContact O-N 3.06Å; N11-P80 HydrophobicContact CB-CG 4.24Å; N11-P80 WeakPolarHBondContact O-CG 3.4Å
12F87.1Confident85.8Confident13 Ų1358.5 Ų58.56%0.05728%0.277CS..G310 helixtrans-58.3-45.1-175.6-176.5-114.5000112.6V8 E9 R14 G15 F17 Y45 F59 V61 C64 F82V8-F12 PolarHBondContact O-N 3.41Å; E9-F12 VanDerWaalsContact O-CB 3.24Å; E9-F12 WeakPolarHBondContact O-CB 3.43Å; E9-F12 PolarHBondContact O-N 3.26Å; F12-R14 PolarHBondContact O-N 2.94Å; F12-G15 PolarHBondContact O-N 3.01Å; F12-F17 HydrophobicContact CD2-CE1 4.29Å; F12-F17 HydrophobicContact CD2-CZ 4.17Å; F12-F17 HydrophobicContact CE1-CZ 4.43Å; F12-F17 AromaticContact CE2-CE1 3.56Å; F12-F17 HydrophobicContact CE2-CE1 3.56Å; F12-F17 AromaticContact CE2-CZ 3.83Å; F12-F17 HydrophobicContact CE2-CZ 3.83Å; F12-F17 AromaticContact CZ-CE1 3.75Å; F12-F17 HydrophobicContact CZ-CE1 3.75Å; F12-F17 AromaticContact CZ-CZ 3.97Å; F12-F17 HydrophobicContact CZ-CZ 3.97Å; F12-F17 WeakPolarHBondContact O-CZ 3.45Å; F12-Y45 HydrophobicContact CD1-CD2 4.44Å; F12-Y45 AromaticContact CD1-CE2 3.96Å; F12-Y45 HydrophobicContact CD1-CE2 3.96Å; F12-Y45 HydrophobicContact CE1-CD2 4.29Å; F12-Y45 AromaticContact CE1-CE2 3.72Å; F12-Y45 HydrophobicContact CE1-CE2 3.72Å; F12-F59 HydrophobicContact CE1-CD2 4.46Å; F12-F59 HydrophobicContact CE1-CE2 4.07Å; F12-F59 HydrophobicContact CZ-CD2 4.24Å; F12-F59 HydrophobicContact CZ-CE2 4.14Å; F12-V61 HydrophobicContact CB-CG2 4.2Å; F12-V61 HydrophobicContact CD1-CG2 3.75Å; F12-V61 HydrophobicContact CD2-CB 4.3Å; F12-V61 HydrophobicContact CD2-CG1 4.07Å; F12-V61 HydrophobicContact CD2-CG2 3.78Å; F12-V61 HydrophobicContact CE1-CG2 3.94Å; F12-V61 HydrophobicContact CE2-CB 4.24Å; F12-V61 HydrophobicContact CE2-CG1 4.25Å; F12-V61 HydrophobicContact CE2-CG2 3.99Å; F12-V61 HydrophobicContact CG-CG2 3.65Å; F12-V61 HydrophobicContact CZ-CB 4.5Å; F12-V61 HydrophobicContact CZ-CG2 4.06Å; F12-C64 HydrophobicContact CE2-CB 3.98Å; F12-C64 VanDerWaalsContact CE2-SG 3.56Å; F12-F82 HydrophobicContact CD2-CD2 4.23Å; F12-F82 HydrophobicContact CD2-CE1 4.3Å; F12-F82 AromaticContact CD2-CE2 3.73Å; F12-F82 HydrophobicContact CD2-CE2 3.73Å; F12-F82 AromaticContact CD2-CZ 3.78Å; F12-F82 HydrophobicContact CD2-CZ 3.78Å; F12-F82 HydrophobicContact CE2-CD2 4.38Å; F12-F82 HydrophobicContact CE2-CE2 4.32Å; F12-F82 HydrophobicContact CE2-CZ 4.47Å
13E88.5Confident86.1Confident132 Ų13255.5 Ų55.562%0.61727%0.265SS*.G310 helixtrans-67.7-20.2-178.7-58.1-167163.900113.7N11 G15 Y45N11-E13 PolarHBondContact O-N 3.47Å; E13-G15 VanDerWaalsContact C-N 3.32Å; E13-Y45 HydrophobicContact CB-CD1 3.84Å; E13-Y45 HydrophobicContact CB-CE1 4.06Å; E13-Y45 HydrophobicContact CB-CG 4.21Å; E13-Y45 HydrophobicContact CG-CD1 4Å; E13-Y45 HydrophobicContact CG-CE1 3.67Å; E13-Y45 WeakPolarHBondContact O-CB 3.46Å
14R87.4Confident86.5Confident158 Ų15849.5 Ų49.560%0.59624%0.239SC*.G310 helixtrans-84.4-11.2175.7-63.9-179.3175.2-169-1.8112.4N11 F12 Q76N11-R14 PolarHBondContact O-N 3.29Å; N11-R14 VanDerWaalsContact O-N 3.13Å; F12-R14 PolarHBondContact O-N 2.94Å; R14-Q76 PolarHBondContact NH1-O 3.2Å; R14-Q76 VanDerWaalsContact NH1-O 3.12Å
15G88.1Confident86.9Confident1 Ų145.5 Ų45.51%0.0122%0.218CC..  trans-66.2159.4-172.200000114.9N11 F12 E13 F17 P80N11-G15 PolarHBondContact O-N 3.06Å; F12-G15 PolarHBondContact O-N 3.01Å; E13-G15 VanDerWaalsContact C-N 3.32Å; G15-F17 WeakPolarHBondContact O-CD2 3.45Å; G15-F17 VanDerWaalsContact O-CE2 3.25Å; G15-F17 WeakPolarHBondContact O-CE2 3.48Å; G15-P80 CarbonylContact C-O 3.52Å; G15-P80 WeakPolarHBondContact CA-O 3.11Å
16Q90.9Very high87.2Confident61 Ų6144.4 Ų44.429%0.28521%0.211SC..EExtended strand (participates in β ladder)trans-102.9140.4165.4-68.2-174.72.700109.6W42 V79 P80 I81 F82Q16-W42 HydrophobicContact CB-CE3 3.97Å; Q16-W42 HydrophobicContact CB-CZ3 4.06Å; Q16-V79 HydrophobicContact CG-CG1 3.89Å; Q16-P80 PolarHBondContact N-O 2.89Å; Q16-I81 CarbonylContact O-C 3.53Å; Q16-I81 WeakPolarHBondContact O-CA 3.48Å; Q16-F82 PolarHBondContact O-N 3.27Å
17F90.3Very high87.4Confident0 Ų041.6 Ų41.60%019%0.192CC..EExtended strand (participates in β ladder)trans-122.1123.7-169.7-63-98.9000111.4F12 G15 V19 L43 Y45 L48 F82 L84F12-F17 HydrophobicContact CD2-CE1 4.29Å; F12-F17 HydrophobicContact CD2-CZ 4.17Å; F12-F17 HydrophobicContact CE1-CZ 4.43Å; F12-F17 AromaticContact CE2-CE1 3.56Å; F12-F17 HydrophobicContact CE2-CE1 3.56Å; F12-F17 AromaticContact CE2-CZ 3.83Å; F12-F17 HydrophobicContact CE2-CZ 3.83Å; F12-F17 AromaticContact CZ-CE1 3.75Å; F12-F17 HydrophobicContact CZ-CE1 3.75Å; F12-F17 AromaticContact CZ-CZ 3.97Å; F12-F17 HydrophobicContact CZ-CZ 3.97Å; F12-F17 WeakPolarHBondContact O-CZ 3.45Å; G15-F17 WeakPolarHBondContact O-CD2 3.45Å; G15-F17 VanDerWaalsContact O-CE2 3.25Å; G15-F17 WeakPolarHBondContact O-CE2 3.48Å; F17-V19 HydrophobicContact CB-CG2 4.04Å; F17-L43 PolarHBondContact N-O 2.84Å; F17-L43 PolarHBondContact O-N 2.85Å; F17-Y45 HydrophobicContact CE2-CD2 4.16Å; F17-Y45 HydrophobicContact CZ-CD2 4.06Å; F17-L48 HydrophobicContact CB-CD1 3.54Å; F17-L48 HydrophobicContact CD1-CD1 3.72Å; F17-L48 HydrophobicContact CD2-CD1 3.4Å; F17-L48 VanDerWaalsContact CD2-CD1 3.4Å; F17-L48 HydrophobicContact CE1-CD1 4.25Å; F17-L48 HydrophobicContact CE2-CD1 3.98Å; F17-L48 HydrophobicContact CG-CD1 3.25Å; F17-L48 HydrophobicContact CZ-CD1 4.37Å; F17-F82 CarbonylContact C-O 3.5Å; F17-F82 WeakPolarHBondContact CA-O 3.44Å; F17-F82 HydrophobicContact CD1-CB 3.71Å; F17-F82 HydrophobicContact CD1-CD2 4.22Å; F17-F82 HydrophobicContact CD1-CG 4.34Å; F17-F82 HydrophobicContact CE1-CB 3.89Å; F17-F82 AromaticContact CE1-CD2 3.68Å; F17-F82 HydrophobicContact CE1-CD2 3.68Å; F17-F82 HydrophobicContact CE1-CG 4.03Å; F17-F82 HydrophobicContact CE2-CD2 4.45Å; F17-F82 HydrophobicContact CG-CB 4.47Å; F17-F82 AromaticContact CZ-CD2 3.81Å; F17-F82 HydrophobicContact CZ-CD2 3.81Å; F17-F82 HydrophobicContact CZ-CE2 4.37Å; F17-L84 HydrophobicContact CD1-CB 4.19Å; F17-L84 HydrophobicContact CD1-CD2 4.49Å
18F88.6Confident87.5Confident1 Ų146.5 Ų46.50%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-79.8112.9157.6-85.7-93.4000108.5F20 V40 W42 L67 I81 F82 A83 L84 L125 A129F18-F20 HydrophobicContact CB-CE2 4.46Å; F18-V40 HydrophobicContact CD1-CB 4.18Å; F18-V40 HydrophobicContact CD1-CG1 3.35Å; F18-V40 HydrophobicContact CE1-CB 3.62Å; F18-V40 HydrophobicContact CE1-CG1 3.32Å; F18-V40 HydrophobicContact CE1-CG2 3.92Å; F18-W42 HydrophobicContact CD2-CE3 4.31Å; F18-W42 HydrophobicContact CD2-CH2 4.22Å; F18-W42 AromaticContact CD2-CZ3 3.95Å; F18-W42 HydrophobicContact CD2-CZ3 3.95Å; F18-W42 HydrophobicContact CE2-CD2 4.31Å; F18-W42 AromaticContact CE2-CE3 3.9Å; F18-W42 HydrophobicContact CE2-CE3 3.9Å; F18-W42 AromaticContact CE2-CH2 3.2Å; F18-W42 HydrophobicContact CE2-CH2 3.2Å; F18-W42 AromaticContact CE2-CZ2 3.57Å; F18-W42 HydrophobicContact CE2-CZ2 3.57Å; F18-W42 AromaticContact CE2-CZ3 3.35Å; F18-W42 HydrophobicContact CE2-CZ3 3.35Å; F18-W42 HydrophobicContact CZ-CD2 4.4Å; F18-W42 AromaticContact CZ-CE2 3.88Å; F18-W42 HydrophobicContact CZ-CE3 4.44Å; F18-W42 AromaticContact CZ-CH2 3.67Å; F18-W42 HydrophobicContact CZ-CH2 3.67Å; F18-W42 AromaticContact CZ-CZ2 3.49Å; F18-W42 HydrophobicContact CZ-CZ2 3.49Å; F18-W42 VanDerWaalsContact CZ-CZ2 3.49Å; F18-W42 HydrophobicContact CZ-CZ3 4.11Å; F18-L67 HydrophobicContact CB-CD1 4.46Å; F18-L67 HydrophobicContact CD2-CD1 3.91Å; F18-L67 HydrophobicContact CG-CD1 4.36Å; F18-I81 HydrophobicContact CD2-CG2 3.83Å; F18-I81 HydrophobicContact CE2-CG2 3.97Å; F18-F82 PolarHBondContact N-O 3.29Å; F18-A83 CarbonylContact O-C 3.55Å; F18-A83 WeakPolarHBondContact O-CA 3.43Å; F18-L84 PolarHBondContact O-N 2.71Å; F18-L125 HydrophobicContact CE2-CD2 3.39Å; F18-L125 HydrophobicContact CE2-CG 3.61Å; F18-L125 HydrophobicContact CZ-CB 4.38Å; F18-L125 HydrophobicContact CZ-CD2 3.58Å; F18-L125 HydrophobicContact CZ-CG 3.73Å; F18-A129 HydrophobicContact CB-CB 4.16Å; F18-A129 HydrophobicContact CD1-CB 4.32Å; F18-A129 HydrophobicContact CG-CB 4.18Å
19V89.3Confident87.3Confident1 Ų149.7 Ų49.71%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-103.5128.4-174.3-176.90000110.6F17 V21 L26 L43 L48 L84 I86F17-V19 HydrophobicContact CB-CG2 4.04Å; V19-V21 HydrophobicContact CG1-CG2 4.31Å; V19-L26 HydrophobicContact CB-CD1 3.87Å; V19-L26 HydrophobicContact CB-CG 4.29Å; V19-L26 HydrophobicContact CG1-CD1 3.78Å; V19-L26 HydrophobicContact CG1-CG 4.26Å; V19-L26 PolarHBondContact O-N 2.82Å; V19-L43 HydrophobicContact CB-CD1 4.07Å; V19-L43 HydrophobicContact CG2-CB 4.28Å; V19-L43 HydrophobicContact CG2-CD1 3.57Å; V19-L43 HydrophobicContact CG2-CG 4.4Å; V19-L48 HydrophobicContact CG2-CD2 3.67Å; V19-L48 HydrophobicContact CG2-CG 4.48Å; V19-L84 CarbonylContact C-O 3.58Å; V19-L84 WeakPolarHBondContact CA-O 3.48Å; V19-L84 HydrophobicContact CG2-CD2 4.47Å; V19-I86 HydrophobicContact CG1-CD1 3.55Å; V19-I86 HydrophobicContact CG1-CG1 3.93Å
20F87.9Confident86.8Confident1 Ų149.1 Ų49.10%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-106.6133.8166.4-65.9-106.8000107.6F18 K24 P25 L84 N85 I86 F110 L126 A129 R130 A133F18-F20 HydrophobicContact CB-CE2 4.46Å; F20-K24 CarbonylContact C-O 3.59Å; F20-K24 VanDerWaalsContact CA-O 3.24Å; F20-K24 WeakPolarHBondContact CA-O 3.14Å; F20-P25 HydrophobicContact CD1-CB 4.01Å; F20-P25 HydrophobicContact CE1-CB 3.75Å; F20-P25 HydrophobicContact CE1-CG 4.19Å; F20-P25 HydrophobicContact CZ-CB 4.2Å; F20-L84 PolarHBondContact N-O 2.78Å; F20-N85 HydrophobicContact CB-CB 4.28Å; F20-N85 CarbonylContact O-C 3.53Å; F20-N85 WeakPolarHBondContact O-CA 3.47Å; F20-N85 PolarHBondContact O-OD1 3.44Å; F20-I86 PolarHBondContact O-N 3.16Å; F20-F110 HydrophobicContact CE1-CD2 4.16Å; F20-L126 HydrophobicContact CZ-CD1 4.01Å; F20-A129 HydrophobicContact CE2-CB 3.91Å; F20-A129 HydrophobicContact CZ-CB 4.12Å; F20-R130 HydrophobicContact CE1-CB 4.29Å; F20-R130 HydrophobicContact CZ-CB 4.2Å; F20-A133 HydrophobicContact CB-CB 4.19Å; F20-A133 HydrophobicContact CD1-CB 4.11Å; F20-A133 HydrophobicContact CD2-CB 3.4Å; F20-A133 HydrophobicContact CE1-CB 4.36Å; F20-A133 HydrophobicContact CE2-CB 3.71Å; F20-A133 HydrophobicContact CG-CB 3.63Å; F20-A133 HydrophobicContact CZ-CB 4.19Å
21V87Confident85.5Confident0 Ų048 Ų480%023%0.232CC..EExtended strand (participates in β ladder)trans-110.5112.9171177.70000106.7V19 Q23 K24 L26 L88 A96 R107V19-V21 HydrophobicContact CG1-CG2 4.31Å; V21-Q23 PolarHBondContact O-N 3.31Å; V21-K24 PolarHBondContact N-O 3.23Å; V21-K24 PolarHBondContact O-N 3.45Å; V21-L26 HydrophobicContact CB-CD2 4.41Å; V21-L26 HydrophobicContact CG2-CD1 4.25Å; V21-L26 HydrophobicContact CG2-CD2 3.76Å; V21-L26 HydrophobicContact CG2-CG 4.05Å; V21-L88 HydrophobicContact CG1-CD1 3.43Å; V21-L88 VanDerWaalsContact CG1-CD1 3.43Å; V21-L88 HydrophobicContact CG1-CG 4.16Å; V21-A96 HydrophobicContact CG1-CB 4.39Å; V21-R107 HydrophobicContact CB-CG 4.48Å
22D82.8Confident84Confident54 Ų5449.7 Ų49.729%0.28925%0.245SC..THydrogen-bonded Turntrans50.357-175.9-170.340.5000112K24 I86 L88D22-K24 PolarHBondContact O-N 3.03Å; D22-I86 PolarHBondContact N-O 3.44Å; D22-L88 HydrophobicContact CB-CD1 4.4Å
23Q80.7Confident82.2Confident61 Ų6155.9 Ų55.929%0.28529%0.286SS..THydrogen-bonded Turntrans66.9-0.1178.3-54.8-71.8-11.600116.3V21 N85 A133V21-Q23 PolarHBondContact O-N 3.31Å; Q23-N85 PolarHBondContact N-OD1 2.89Å; Q23-N85 PolarHBondContact NE2-ND2 3.37Å; Q23-N85 VanDerWaalsContact NE2-ND2 3.14Å; Q23-A133 PolarHBondContact OE1-O 3.18Å
24K87.2Confident80.6Confident84 Ų8453.7 Ų53.737%0.36529%0.286SS..EExtended strand (participates in β ladder)trans-103.8127.8175.5-67-171.8177.8-1750111F20 V21 D22 R107F20-K24 CarbonylContact C-O 3.59Å; F20-K24 VanDerWaalsContact CA-O 3.24Å; F20-K24 WeakPolarHBondContact CA-O 3.14Å; V21-K24 PolarHBondContact N-O 3.23Å; V21-K24 PolarHBondContact O-N 3.45Å; D22-K24 PolarHBondContact O-N 3.03Å; K24-R107 HydrophobicContact CB-CB 4.04Å; K24-R107 HydrophobicContact CD-CB 4.08Å
25P89.2Confident79.1Confident1 Ų147.2 Ų47.21%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-64.1142.9176.826.9-35.2000111.3F20 F27 V108 F110 A113 L126F20-P25 HydrophobicContact CD1-CB 4.01Å; F20-P25 HydrophobicContact CE1-CB 3.75Å; F20-P25 HydrophobicContact CE1-CG 4.19Å; F20-P25 HydrophobicContact CZ-CB 4.2Å; P25-F27 PolarHBondContact O-N 3Å; P25-V108 WeakPolarHBondContact CD-O 3.31Å; P25-V108 PolarHBondContact O-N 3.13Å; P25-F110 HydrophobicContact CG-CB 4.45Å; P25-F110 HydrophobicContact CG-CD2 4.27Å; P25-A113 HydrophobicContact CG-CB 3.92Å; P25-L126 HydrophobicContact CB-CD1 4.12Å
26L90.7Very high78.1Confident0 Ų051.7 Ų51.70%028%0.283CS..EExtended strand (participates in β ladder)trans-73.7118.6165.5-68-172.4000109.9V19 V21 C41 L43 A100 F103 A105 R107V19-L26 HydrophobicContact CB-CD1 3.87Å; V19-L26 HydrophobicContact CB-CG 4.29Å; V19-L26 HydrophobicContact CG1-CD1 3.78Å; V19-L26 HydrophobicContact CG1-CG 4.26Å; V19-L26 PolarHBondContact O-N 2.82Å; V21-L26 HydrophobicContact CB-CD2 4.41Å; V21-L26 HydrophobicContact CG2-CD1 4.25Å; V21-L26 HydrophobicContact CG2-CD2 3.76Å; V21-L26 HydrophobicContact CG2-CG 4.05Å; L26-C41 HydrophobicContact CB-CB 4Å; L26-C41 PolarHBondContact O-N 3.49Å; L26-L43 HydrophobicContact CD1-CD1 4.03Å; L26-A100 HydrophobicContact CD2-CB 3.48Å; L26-A100 VanDerWaalsContact CD2-CB 3.48Å; L26-F103 HydrophobicContact CD1-CB 3.69Å; L26-F103 HydrophobicContact CD1-CD1 4.49Å; L26-F103 HydrophobicContact CD1-CD2 3.52Å; L26-F103 HydrophobicContact CD1-CE2 4.24Å; L26-F103 HydrophobicContact CD1-CG 3.67Å; L26-A105 HydrophobicContact CB-CB 3.98Å; L26-R107 HydrophobicContact CD2-CG 4.41Å
27F89.3Confident77.3Confident0 Ų050.9 Ų50.90%028%0.279CS..EExtended strand (participates in β ladder)trans-129.8129.7-173.2-160.3-103.8000110.6P25 L29 G38 V40 A106 V108 A113 C116 L117P25-F27 PolarHBondContact O-N 3Å; F27-L29 HydrophobicContact CD1-CD2 3.93Å; F27-L29 HydrophobicContact CD1-CG 4.22Å; F27-L29 HydrophobicContact CE1-CD2 4.04Å; F27-G38 VanDerWaalsContact CZ-O 3.27Å; F27-G38 WeakPolarHBondContact CZ-O 3.38Å; F27-V40 HydrophobicContact CD2-CG2 4.17Å; F27-V40 HydrophobicContact CE2-CG2 4.19Å; F27-A106 PolarHBondContact N-O 3.36Å; F27-A106 PolarHBondContact O-N 3.04Å; F27-V108 HydrophobicContact CB-CB 3.91Å; F27-V108 HydrophobicContact CB-CG2 3.66Å; F27-V108 HydrophobicContact CD1-CG2 4.15Å; F27-V108 HydrophobicContact CG-CB 4.44Å; F27-V108 HydrophobicContact CG-CG2 4.27Å; F27-A113 HydrophobicContact CD2-CB 3.8Å; F27-A113 HydrophobicContact CE2-CB 3.99Å; F27-A113 HydrophobicContact CG-CB 4.26Å; F27-C116 HydrophobicContact CE1-CB 3.65Å; F27-C116 HydrophobicContact CZ-CB 3.59Å; F27-L117 HydrophobicContact CE2-CD2 3.8Å; F27-L117 HydrophobicContact CE2-CG 3.96Å; F27-L117 HydrophobicContact CZ-CD2 4.21Å; F27-L117 HydrophobicContact CZ-CG 4.3Å
28R87.7Confident76.8Confident133 Ų13351 Ų5150%0.50228%0.28SS..EExtended strand (participates in β ladder)trans-92.5106.4174.6-172.5177.6-62.5143.26.2108.9G38 N39R28-G38 CarbonylContact O-C 3.58Å; R28-G38 WeakPolarHBondContact O-CA 3.5Å; R28-N39 PolarHBondContact N-O 2.98Å; R28-N39 PolarHBondContact O-N 2.65Å
29L79.8Confident76.7Confident68 Ų6854.5 Ų54.536%0.35630%0.298SS..EExtended strand (participates in β ladder)trans-72.8129.9173.2-67.8162.9000109.7F27 K36 K37 A106 V108F27-L29 HydrophobicContact CD1-CD2 3.93Å; F27-L29 HydrophobicContact CD1-CG 4.22Å; F27-L29 HydrophobicContact CE1-CD2 4.04Å; L29-K36 HydrophobicContact CD2-CB 4.18Å; L29-K37 CarbonylContact C-O 3.53Å; L29-K37 WeakPolarHBondContact CA-O 3.49Å; L29-A106 HydrophobicContact CD1-CB 4.4Å; L29-V108 HydrophobicContact CD1-CG2 4.45Å
30L76.6Confident76.4Confident89 Ų8954.9 Ų54.947%0.46630%0.301SS..EExtended strand (participates in β ladder)trans-84.6114.6168-64.4168.8000106.7S32 K37L30-S32 PolarHBondContact O-N 2.9Å; L30-K37 HydrophobicContact CB-CB 4.41Å; L30-K37 HydrophobicContact CD1-CB 4.49Å; L30-K37 PolarHBondContact N-O 2.96Å
31S60.1Low76.3Confident130 Ų13055 Ų5591%0.90930%0.301SS*.  trans-60.7106.1-176.8-470000110.8
32S54.1Low76.3Confident55 Ų5559 Ų5939%0.38532%0.317SS..  trans-133.2134.8167.2-179.80000109.5L30 S34 T35L30-S32 PolarHBondContact O-N 2.9Å; S32-S34 PolarHBondContact O-N 3.07Å; S32-S34 VanDerWaalsContact O-N 3.14Å; S32-T35 WeakPolarHBondContact CB-O 3.16Å; S32-T35 WeakPolarHBondContact CB-OG1 3.34Å; S32-T35 PolarHBondContact O-N 2.59Å; S32-T35 PolarHBondContact OG-OG1 2.83Å; S32-T35 VanDerWaalsContact OG-OG1 3.06Å
33P51Low76.6Confident143 Ų14356.8 Ų56.893%0.92931%0.305SS*.SBendtrans-58.9-29.8-170.1-24.633.4000114.7
34S53.6Low77.1Confident87 Ų8760.4 Ų60.461%0.60832%0.319SS*.SBendtrans-115.3-10.3-175.555.70000113.8S32 V413S32-S34 PolarHBondContact O-N 3.07Å; S32-S34 VanDerWaalsContact O-N 3.14Å; S34-V413 WeakPolarHBondContact O-CG1 3.39Å
35T57Low77.2Confident22 Ų2258.1 Ų58.114%0.13531%0.309CS..  trans-132.3122.4-171.867.80000111.1S32 K37 V413S32-T35 WeakPolarHBondContact CB-O 3.16Å; S32-T35 WeakPolarHBondContact CB-OG1 3.34Å; S32-T35 PolarHBondContact O-N 2.59Å; S32-T35 PolarHBondContact OG-OG1 2.83Å; S32-T35 VanDerWaalsContact OG-OG1 3.06Å; T35-K37 PolarHBondContact O-N 2.78Å; T35-V413 HydrophobicContact CG2-CB 4.23Å; T35-V413 HydrophobicContact CG2-CG1 3.7Å; T35-V413 HydrophobicContact CG2-CG2 3.55Å
36K66.3Low77.2Confident95 Ų9566.5 Ų66.541%0.41335%0.345SS..  trans-81.494.5163.5-61-177.8174.4179.30107.6L29 E112 C116 W414L29-K36 HydrophobicContact CD2-CB 4.18Å; K36-E112 WeakPolarHBondContact CD-OE1 2.96Å; K36-E112 WeakPolarHBondContact CE-OE1 3.48Å; K36-E112 IonicContact NZ-OE1 2.85Å; K36-E112 PolarHBondContact NZ-OE1 3.4Å; K36-C116 PolarHBondContact O-SG 3.31Å; K36-W414 HydrophobicContact CB-CB 3.99Å; K36-W414 HydrophobicContact CD-CB 4.23Å; K36-W414 HydrophobicContact CG-CB 4.28Å
37K74.8Confident77.1Confident44 Ų4471.1 Ų71.119%0.19137%0.367CS..EExtended strand (participates in β ladder)trans-103.3156166.1-70.5-176.4168.5-159.10108.3L29 L30 T35 E118 N411L29-K37 CarbonylContact C-O 3.53Å; L29-K37 WeakPolarHBondContact CA-O 3.49Å; L30-K37 HydrophobicContact CB-CB 4.41Å; L30-K37 HydrophobicContact CD1-CB 4.49Å; L30-K37 PolarHBondContact N-O 2.96Å; T35-K37 PolarHBondContact O-N 2.78Å; K37-E118 VanDerWaalsContact CD-OE1 3.27Å; K37-E118 WeakPolarHBondContact CD-OE1 3.49Å; K37-E118 VanDerWaalsContact CE-OE1 3.25Å; K37-E118 WeakPolarHBondContact CE-OE1 3.29Å; K37-E118 IonicContact NZ-OE1 2.93Å; K37-E118 PolarHBondContact NZ-OE1 3.01Å; K37-N411 PolarHBondContact NZ-OD1 3.2Å
38G79.9Confident77Confident2 Ų271.1 Ų71.12%0.02137%0.367CS..EExtended strand (participates in β ladder)trans-179.1178.5173.800000113.2F27 R28 C116F27-G38 VanDerWaalsContact CZ-O 3.27Å; F27-G38 WeakPolarHBondContact CZ-O 3.38Å; R28-G38 CarbonylContact O-C 3.58Å; R28-G38 WeakPolarHBondContact O-CA 3.5Å; G38-C116 PolarHBondContact N-O 3.38Å
39N84.8Confident77.1Confident74 Ų7467 Ų6740%0.39635%0.354SS..EExtended strand (participates in β ladder)trans-131.4154.2179.3-77.8-42.9000110.6R28R28-N39 PolarHBondContact N-O 2.98Å; R28-N39 PolarHBondContact O-N 2.65Å
40V84.8Confident77.5Confident10 Ų1073.6 Ų73.66%0.06137%0.373CS..EExtended strand (participates in β ladder)trans-67.6139.9174.5-167.60000110F18 F27 W42 L117 L126F18-V40 HydrophobicContact CD1-CB 4.18Å; F18-V40 HydrophobicContact CD1-CG1 3.35Å; F18-V40 HydrophobicContact CE1-CB 3.62Å; F18-V40 HydrophobicContact CE1-CG1 3.32Å; F18-V40 HydrophobicContact CE1-CG2 3.92Å; F27-V40 HydrophobicContact CD2-CG2 4.17Å; F27-V40 HydrophobicContact CE2-CG2 4.19Å; V40-W42 PolarHBondContact O-N 3.04Å; V40-L117 HydrophobicContact CG2-CD1 4.17Å; V40-L117 HydrophobicContact CG2-CD2 4.08Å; V40-L126 HydrophobicContact CG2-CB 4.45Å; V40-L126 HydrophobicContact CG2-CD1 4.26Å; V40-L126 HydrophobicContact CG2-CD2 4.18Å
41C85.1Confident77.8Confident2 Ų270 Ų701%0.01436%0.355CS..  trans-79.3111.8179.3-165.80000110.4L26 A105L26-C41 HydrophobicContact CB-CB 4Å; L26-C41 PolarHBondContact O-N 3.49Å; C41-A105 HydrophobicContact CB-CB 3.86Å
42W86Confident79.1Confident86 Ų8664 Ų6433%0.32631%0.313SS..EExtended strand (participates in β ladder)trans-82.4128.3171.3-66.892.1000110.5Q16 F18 V40 I81 M122 L125Q16-W42 HydrophobicContact CB-CE3 3.97Å; Q16-W42 HydrophobicContact CB-CZ3 4.06Å; F18-W42 HydrophobicContact CD2-CE3 4.31Å; F18-W42 HydrophobicContact CD2-CH2 4.22Å; F18-W42 AromaticContact CD2-CZ3 3.95Å; F18-W42 HydrophobicContact CD2-CZ3 3.95Å; F18-W42 HydrophobicContact CE2-CD2 4.31Å; F18-W42 AromaticContact CE2-CE3 3.9Å; F18-W42 HydrophobicContact CE2-CE3 3.9Å; F18-W42 AromaticContact CE2-CH2 3.2Å; F18-W42 HydrophobicContact CE2-CH2 3.2Å; F18-W42 AromaticContact CE2-CZ2 3.57Å; F18-W42 HydrophobicContact CE2-CZ2 3.57Å; F18-W42 AromaticContact CE2-CZ3 3.35Å; F18-W42 HydrophobicContact CE2-CZ3 3.35Å; F18-W42 HydrophobicContact CZ-CD2 4.4Å; F18-W42 AromaticContact CZ-CE2 3.88Å; F18-W42 HydrophobicContact CZ-CE3 4.44Å; F18-W42 AromaticContact CZ-CH2 3.67Å; F18-W42 HydrophobicContact CZ-CH2 3.67Å; F18-W42 AromaticContact CZ-CZ2 3.49Å; F18-W42 HydrophobicContact CZ-CZ2 3.49Å; F18-W42 VanDerWaalsContact CZ-CZ2 3.49Å; F18-W42 HydrophobicContact CZ-CZ3 4.11Å; V40-W42 PolarHBondContact O-N 3.04Å; W42-I81 HydrophobicContact CH2-CD1 4.07Å; W42-I81 HydrophobicContact CH2-CG2 4.29Å; W42-I81 HydrophobicContact CZ3-CD1 4.21Å; W42-I81 HydrophobicContact CZ3-CG1 4.22Å; W42-I81 HydrophobicContact CZ3-CG2 3.86Å; W42-M122 HydrophobicContact CZ2-CE 4.23Å; W42-M122 HydrophobicContact CZ2-SD 3.72Å; W42-L125 HydrophobicContact CH2-CD2 3.59Å; W42-L125 HydrophobicContact CZ2-CD2 3.96Å
43L89.7Confident80.6Confident6 Ų670 Ų703%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-122.4134.8178.4-65.5169.4000110.5F17 V19 L26 Q47 L48 F103F17-L43 PolarHBondContact N-O 2.84Å; F17-L43 PolarHBondContact O-N 2.85Å; V19-L43 HydrophobicContact CB-CD1 4.07Å; V19-L43 HydrophobicContact CG2-CB 4.28Å; V19-L43 HydrophobicContact CG2-CD1 3.57Å; V19-L43 HydrophobicContact CG2-CG 4.4Å; L26-L43 HydrophobicContact CD1-CD1 4.03Å; L43-Q47 HydrophobicContact CD2-CB 4.11Å; L43-L48 HydrophobicContact CB-CG 4.18Å; L43-L48 HydrophobicContact CD1-CD2 4.34Å; L43-F103 HydrophobicContact CD1-CB 4.3Å; L43-F103 HydrophobicContact CD1-CD1 3.34Å; L43-F103 HydrophobicContact CD1-CE1 3.72Å; L43-F103 HydrophobicContact CD1-CG 3.92Å; L43-F103 HydrophobicContact CD2-CD1 4.05Å; L43-F103 HydrophobicContact CG-CD1 4.35Å
44K90.8Very high82.3Confident137 Ų13770.3 Ų70.360%0.59631%0.314SS*.EExtended strand (participates in β ladder)trans-84.1156168-62.7-175.3180-176.70109.6K46 Q47 L48K44-K46 VanDerWaalsContact C-N 3.26Å; K44-K46 PolarHBondContact O-N 3.43Å; K44-K46 VanDerWaalsContact O-N 3.12Å; K44-Q47 WeakPolarHBondContact O-CB 3.46Å; K44-Q47 PolarHBondContact O-N 3.46Å; K44-L48 PolarHBondContact O-N 3.48Å; K44-L48 VanDerWaalsContact O-N 3.14Å
45Y89.4Confident83.7Confident36 Ų3668.4 Ų68.414%0.14130%0.297CS..Hα-helixtrans-49.5-41.8179.5-172.8-108000114.1F12 E13 F17 Q47 L48 Q49 F59F12-Y45 HydrophobicContact CD1-CD2 4.44Å; F12-Y45 AromaticContact CD1-CE2 3.96Å; F12-Y45 HydrophobicContact CD1-CE2 3.96Å; F12-Y45 HydrophobicContact CE1-CD2 4.29Å; F12-Y45 AromaticContact CE1-CE2 3.72Å; F12-Y45 HydrophobicContact CE1-CE2 3.72Å; E13-Y45 HydrophobicContact CB-CD1 3.84Å; E13-Y45 HydrophobicContact CB-CE1 4.06Å; E13-Y45 HydrophobicContact CB-CG 4.21Å; E13-Y45 HydrophobicContact CG-CD1 4Å; E13-Y45 HydrophobicContact CG-CE1 3.67Å; E13-Y45 WeakPolarHBondContact O-CB 3.46Å; F17-Y45 HydrophobicContact CE2-CD2 4.16Å; F17-Y45 HydrophobicContact CZ-CD2 4.06Å; Y45-Q47 VanDerWaalsContact C-N 3.34Å; Y45-Q47 PolarHBondContact O-N 3.41Å; Y45-L48 WeakPolarHBondContact O-CB 3.31Å; Y45-L48 PolarHBondContact O-N 2.92Å; Y45-Q49 HydrophobicContact CD1-CG 4.2Å; Y45-Q49 HydrophobicContact CE1-CG 3.81Å; Y45-Q49 HydrophobicContact CE2-CG 4.39Å; Y45-Q49 VanDerWaalsContact CZ-NE2 3.29Å; Y45-Q49 WeakPolarHBondContact O-CG 3.42Å; Y45-Q49 PolarHBondContact O-N 2.93Å; Y45-Q49 PolarHBondContact OH-NE2 3.19Å; Y45-F59 HydrophobicContact CD2-CE2 4.02Å; Y45-F59 AromaticContact CD2-CZ 3.99Å; Y45-F59 HydrophobicContact CD2-CZ 3.99Å; Y45-F59 AromaticContact CE2-CE2 3.62Å; Y45-F59 HydrophobicContact CE2-CE2 3.62Å; Y45-F59 AromaticContact CE2-CZ 3.58Å; Y45-F59 HydrophobicContact CE2-CZ 3.58Å
46K89Confident85Confident177 Ų17776.2 Ų76.277%0.7733%0.332SS*.Hα-helixtrans-63.1-35.4177.2-66.4-174178.6-178.40113.7K44 R50K44-K46 VanDerWaalsContact C-N 3.26Å; K44-K46 PolarHBondContact O-N 3.43Å; K44-K46 VanDerWaalsContact O-N 3.12Å; K46-R50 PolarHBondContact O-N 3.25Å
47Q88.3Confident85.8Confident97 Ų9773.2 Ų73.245%0.45332%0.32SS..Hα-helixtrans-72-39.9177.7-66.3170.8-62.300110.6L43 K44 Y45 R50 V51L43-Q47 HydrophobicContact CD2-CB 4.11Å; K44-Q47 WeakPolarHBondContact O-CB 3.46Å; K44-Q47 PolarHBondContact O-N 3.46Å; Y45-Q47 VanDerWaalsContact C-N 3.34Å; Y45-Q47 PolarHBondContact O-N 3.41Å; Q47-R50 PolarHBondContact O-N 3.05Å; Q47-V51 PolarHBondContact O-N 3.35Å
48L88.2Confident86.1Confident0 Ų076.5 Ų76.50%035%0.349CS..Hα-helixtrans-57-57172.3-81.9167.4000111.7F17 V19 L43 K44 Y45 R50 V51 T52 F59 L84 I86 F103F17-L48 HydrophobicContact CB-CD1 3.54Å; F17-L48 HydrophobicContact CD1-CD1 3.72Å; F17-L48 HydrophobicContact CD2-CD1 3.4Å; F17-L48 VanDerWaalsContact CD2-CD1 3.4Å; F17-L48 HydrophobicContact CE1-CD1 4.25Å; F17-L48 HydrophobicContact CE2-CD1 3.98Å; F17-L48 HydrophobicContact CG-CD1 3.25Å; F17-L48 HydrophobicContact CZ-CD1 4.37Å; V19-L48 HydrophobicContact CG2-CD2 3.67Å; V19-L48 HydrophobicContact CG2-CG 4.48Å; L43-L48 HydrophobicContact CB-CG 4.18Å; L43-L48 HydrophobicContact CD1-CD2 4.34Å; K44-L48 PolarHBondContact O-N 3.48Å; K44-L48 VanDerWaalsContact O-N 3.14Å; Y45-L48 WeakPolarHBondContact O-CB 3.31Å; Y45-L48 PolarHBondContact O-N 2.92Å; L48-R50 PolarHBondContact O-N 3.15Å; L48-R50 VanDerWaalsContact O-N 3.16Å; L48-V51 PolarHBondContact O-N 3.12Å; L48-V51 VanDerWaalsContact O-N 3.16Å; L48-T52 WeakPolarHBondContact O-CG2 3.41Å; L48-T52 PolarHBondContact O-N 3.49Å; L48-T52 PolarHBondContact O-OG1 3.48Å; L48-T52 VanDerWaalsContact O-OG1 3.08Å; L48-F59 HydrophobicContact CB-CE1 4.15Å; L48-F59 HydrophobicContact CB-CZ 3.85Å; L48-F59 HydrophobicContact CD1-CE2 4.38Å; L48-F59 HydrophobicContact CD1-CZ 4.43Å; L48-L84 HydrophobicContact CD1-CD2 4.05Å; L48-L84 HydrophobicContact CD2-CD2 3.76Å; L48-I86 HydrophobicContact CD2-CD1 4.31Å; L48-F103 HydrophobicContact CD2-CE1 4.09Å; L48-F103 HydrophobicContact CD2-CZ 4.21Å
49Q89.2Confident86.3Confident48 Ų4878 Ų7822%0.22436%0.355CS..Hα-helixtrans-55.6-36.8-178.9-74.3-172.5-39.400113.1Y45 T52 R53 F59Y45-Q49 HydrophobicContact CD1-CG 4.2Å; Y45-Q49 HydrophobicContact CE1-CG 3.81Å; Y45-Q49 HydrophobicContact CE2-CG 4.39Å; Y45-Q49 VanDerWaalsContact CZ-NE2 3.29Å; Y45-Q49 WeakPolarHBondContact O-CG 3.42Å; Y45-Q49 PolarHBondContact O-N 2.93Å; Y45-Q49 PolarHBondContact OH-NE2 3.19Å; Q49-T52 WeakPolarHBondContact CA-OG1 3.49Å; Q49-T52 PolarHBondContact O-OG1 2.95Å; Q49-R53 VanDerWaalsContact O-CB 3.23Å; Q49-R53 WeakPolarHBondContact O-CB 3.5Å; Q49-R53 WeakPolarHBondContact O-CG 3.44Å; Q49-R53 PolarHBondContact O-N 3.27Å; Q49-F59 HydrophobicContact CG-CE1 4.41Å; Q49-F59 HydrophobicContact CG-CZ 4.24Å
50R87.8Confident86.2Confident205 Ų20575 Ų7577%0.77434%0.341SS*.Hα-helixtrans-62.6-48.9179.5-179.7179.7175.9170-0.6111.7K46 Q47 L48 K54K46-R50 PolarHBondContact O-N 3.25Å; Q47-R50 PolarHBondContact O-N 3.05Å; L48-R50 PolarHBondContact O-N 3.15Å; L48-R50 VanDerWaalsContact O-N 3.16Å; R50-K54 PolarHBondContact O-N 2.74Å
51V84.7Confident86.1Confident13 Ų1375.7 Ų75.78%0.07935%0.346CS..Hα-helixtrans-76.9-38.3-176.8178.60000110.8Q47 L48 K54 N55 E102 F103Q47-V51 PolarHBondContact O-N 3.35Å; L48-V51 PolarHBondContact O-N 3.12Å; L48-V51 VanDerWaalsContact O-N 3.16Å; V51-K54 PolarHBondContact O-N 2.78Å; V51-N55 PolarHBondContact O-N 3.38Å; V51-N55 PolarHBondContact O-ND2 3.3Å; V51-E102 HydrophobicContact CG1-CB 3.91Å; V51-E102 HydrophobicContact CG2-CB 4.41Å; V51-F103 HydrophobicContact CB-CD1 3.98Å; V51-F103 HydrophobicContact CB-CE1 3.41Å; V51-F103 VanDerWaalsContact CB-CE1 3.41Å; V51-F103 HydrophobicContact CB-CE2 4.11Å; V51-F103 HydrophobicContact CB-CZ 3.49Å; V51-F103 VanDerWaalsContact CB-CZ 3.49Å; V51-F103 HydrophobicContact CG1-CD1 4.15Å; V51-F103 HydrophobicContact CG1-CD2 3.91Å; V51-F103 HydrophobicContact CG1-CE1 3.74Å; V51-F103 HydrophobicContact CG1-CE2 3.48Å; V51-F103 VanDerWaalsContact CG1-CE2 3.48Å; V51-F103 HydrophobicContact CG1-CG 4.24Å; V51-F103 HydrophobicContact CG1-CZ 3.39Å; V51-F103 HydrophobicContact CG2-CD1 3.71Å; V51-F103 HydrophobicContact CG2-CE1 3.62Å; V51-F103 HydrophobicContact CG2-CG 4.34Å; V51-F103 HydrophobicContact CG2-CZ 4.18Å
52T85.7Confident85.7Confident4 Ų481.7 Ų81.73%0.02537%0.373CS..Hα-helixtrans-68.2-42.2179.762.30000112L48 Q49 K54 N55 E56 L57 F59 I86L48-T52 WeakPolarHBondContact O-CG2 3.41Å; L48-T52 PolarHBondContact O-N 3.49Å; L48-T52 PolarHBondContact O-OG1 3.48Å; L48-T52 VanDerWaalsContact O-OG1 3.08Å; Q49-T52 WeakPolarHBondContact CA-OG1 3.49Å; Q49-T52 PolarHBondContact O-OG1 2.95Å; T52-K54 VanDerWaalsContact C-N 3.31Å; T52-K54 PolarHBondContact O-N 2.91Å; T52-N55 CarbonylContact O-C 3.53Å; T52-N55 PolarHBondContact O-N 3.28Å; T52-E56 PolarHBondContact O-N 2.89Å; T52-E56 VanDerWaalsContact O-N 3.08Å; T52-L57 WeakPolarHBondContact CB-O 3.25Å; T52-L57 HydrophobicContact CG2-CB 4.32Å; T52-L57 PolarHBondContact O-N 3.14Å; T52-F59 HydrophobicContact CG2-CD1 3.76Å; T52-F59 HydrophobicContact CG2-CE1 3.98Å; T52-F59 WeakPolarHBondContact OG1-CE1 3.14Å; T52-I86 HydrophobicContact CG2-CD1 4.24Å
53R86.6Confident85.4Confident182 Ų18279 Ų7969%0.68737%0.365SS*.Hα-helixtrans-61.6-38.1174.3-74.4178.5-177.3-175.62.7112.8Q49 N55 E56Q49-R53 VanDerWaalsContact O-CB 3.23Å; Q49-R53 WeakPolarHBondContact O-CB 3.5Å; Q49-R53 WeakPolarHBondContact O-CG 3.44Å; Q49-R53 PolarHBondContact O-N 3.27Å; R53-N55 VanDerWaalsContact C-N 3.28Å; R53-N55 PolarHBondContact O-N 2.9Å; R53-E56 PolarHBondContact O-N 3.06Å
54K85.9Confident85.1Confident149 Ų14978.9 Ų78.965%0.64837%0.365SS*.Hα-helixtrans-64.9-33.4179.1-171.8-174174.7-154.10112.3R50 V51 T52 E102R50-K54 PolarHBondContact O-N 2.74Å; V51-K54 PolarHBondContact O-N 2.78Å; T52-K54 VanDerWaalsContact C-N 3.31Å; T52-K54 PolarHBondContact O-N 2.91Å; K54-E102 WeakPolarHBondContact CE-OE1 3.37Å; K54-E102 IonicContact NZ-OE1 2.65Å; K54-E102 PolarHBondContact NZ-OE1 3.46Å; K54-E102 IonicContact NZ-OE2 3.49Å
55N83.7Confident84.7Confident47 Ų4772.6 Ų72.625%0.25134%0.339SS..THydrogen-bonded Turntrans-101.913.3-178.6-66.4-85.1000113V51 T52 R53 L57 E102V51-N55 PolarHBondContact O-N 3.38Å; V51-N55 PolarHBondContact O-ND2 3.3Å; T52-N55 CarbonylContact O-C 3.53Å; T52-N55 PolarHBondContact O-N 3.28Å; R53-N55 VanDerWaalsContact C-N 3.28Å; R53-N55 PolarHBondContact O-N 2.9Å; N55-L57 HydrophobicContact CB-CD1 3.86Å; N55-L57 HydrophobicContact CB-CG 3.85Å; N55-L57 WeakPolarHBondContact O-CG 3.19Å; N55-L57 PolarHBondContact O-N 2.82Å; N55-L57 VanDerWaalsContact O-N 3.1Å; N55-E102 PolarHBondContact ND2-OE2 3.24Å
56E83.4Confident84.6Confident187 Ų18772.3 Ų72.387%0.87434%0.339SS*.THydrogen-bonded Turntrans55.227.6-177.6-56.7-177.8168.500114.1T52 R53T52-E56 PolarHBondContact O-N 2.89Å; T52-E56 VanDerWaalsContact O-N 3.08Å; R53-E56 PolarHBondContact O-N 3.06Å
57L84.3Confident84.3Confident31 Ų3164.9 Ų64.916%0.16231%0.308CS..  trans-88.6137178.8-57.4173000110.3T52 N55 I86 L88 I99T52-L57 WeakPolarHBondContact CB-O 3.25Å; T52-L57 HydrophobicContact CG2-CB 4.32Å; T52-L57 PolarHBondContact O-N 3.14Å; N55-L57 HydrophobicContact CB-CD1 3.86Å; N55-L57 HydrophobicContact CB-CG 3.85Å; N55-L57 WeakPolarHBondContact O-CG 3.19Å; N55-L57 PolarHBondContact O-N 2.82Å; N55-L57 VanDerWaalsContact O-N 3.1Å; L57-I86 HydrophobicContact CD1-CG2 3.82Å; L57-L88 HydrophobicContact CD1-CD2 3.95Å; L57-L88 HydrophobicContact CD2-CD2 3.78Å; L57-I99 HydrophobicContact CD1-CD1 4.19Å; L57-I99 HydrophobicContact CD1-CG2 4.32Å
58S81.3Confident84.1Confident113 Ų11363 Ų6379%0.7930%0.301SS*.  trans-103.6148.7169.5550000110.5
59F84.5Confident83.9Confident34 Ų3464.8 Ų64.815%0.14931%0.31CS..  trans-146.9143.6169.470.7-82.7000108.5F12 Y45 L48 Q49 T52 L84F12-F59 HydrophobicContact CE1-CD2 4.46Å; F12-F59 HydrophobicContact CE1-CE2 4.07Å; F12-F59 HydrophobicContact CZ-CD2 4.24Å; F12-F59 HydrophobicContact CZ-CE2 4.14Å; Y45-F59 HydrophobicContact CD2-CE2 4.02Å; Y45-F59 AromaticContact CD2-CZ 3.99Å; Y45-F59 HydrophobicContact CD2-CZ 3.99Å; Y45-F59 AromaticContact CE2-CE2 3.62Å; Y45-F59 HydrophobicContact CE2-CE2 3.62Å; Y45-F59 AromaticContact CE2-CZ 3.58Å; Y45-F59 HydrophobicContact CE2-CZ 3.58Å; L48-F59 HydrophobicContact CB-CE1 4.15Å; L48-F59 HydrophobicContact CB-CZ 3.85Å; L48-F59 HydrophobicContact CD1-CE2 4.38Å; L48-F59 HydrophobicContact CD1-CZ 4.43Å; Q49-F59 HydrophobicContact CG-CE1 4.41Å; Q49-F59 HydrophobicContact CG-CZ 4.24Å; T52-F59 HydrophobicContact CG2-CD1 3.76Å; T52-F59 HydrophobicContact CG2-CE1 3.98Å; T52-F59 WeakPolarHBondContact OG1-CE1 3.14Å; F59-L84 HydrophobicContact CB-CD1 3.96Å; F59-L84 HydrophobicContact CB-CD2 4.33Å; F59-L84 HydrophobicContact CD2-CD1 4.4Å; F59-L84 HydrophobicContact CD2-CD2 3.97Å; F59-L84 HydrophobicContact CG-CD2 4.18Å
60G82.3Confident83.6Confident11 Ų1165.2 Ų65.211%0.11332%0.316CS..  trans-127.9-177.517500000113E62 D63 C64G60-E62 VanDerWaalsContact CA-OE2 3.31Å; G60-E62 WeakPolarHBondContact CA-OE2 3.37Å; G60-E62 PolarHBondContact O-N 3.42Å; G60-D63 PolarHBondContact N-OD2 3.44Å; G60-D63 PolarHBondContact O-N 3.4Å; G60-C64 PolarHBondContact O-SG 2.89Å
61V81.2Confident83.1Confident25 Ų2560.8 Ų60.815%0.15231%0.308CS..G310 helixtrans-65.5-30.1176.6-170.10000110.3F12 D63 C64 I157F12-V61 HydrophobicContact CB-CG2 4.2Å; F12-V61 HydrophobicContact CD1-CG2 3.75Å; F12-V61 HydrophobicContact CD2-CB 4.3Å; F12-V61 HydrophobicContact CD2-CG1 4.07Å; F12-V61 HydrophobicContact CD2-CG2 3.78Å; F12-V61 HydrophobicContact CE1-CG2 3.94Å; F12-V61 HydrophobicContact CE2-CB 4.24Å; F12-V61 HydrophobicContact CE2-CG1 4.25Å; F12-V61 HydrophobicContact CE2-CG2 3.99Å; F12-V61 HydrophobicContact CG-CG2 3.65Å; F12-V61 HydrophobicContact CZ-CB 4.5Å; F12-V61 HydrophobicContact CZ-CG2 4.06Å; V61-D63 VanDerWaalsContact C-N 3.31Å; V61-D63 PolarHBondContact O-N 3.25Å; V61-C64 WeakPolarHBondContact O-CA 3.49Å; V61-C64 WeakPolarHBondContact O-CB 3.49Å; V61-C64 PolarHBondContact O-N 3.38Å; V61-I157 HydrophobicContact CB-CD1 4.37Å; V61-I157 HydrophobicContact CG1-CB 4.43Å; V61-I157 HydrophobicContact CG1-CD1 3.78Å; V61-I157 HydrophobicContact CG1-CG1 4.17Å; V61-I157 HydrophobicContact CG1-CG2 3.43Å; V61-I157 VanDerWaalsContact CG1-CG2 3.43Å
62E76.7Confident82.2Confident127 Ų12762.4 Ų62.459%0.59332%0.318SS*.G310 helixtrans-67.8-23.4176.168.9-77.8-176.600114.5G60 C64 L137G60-E62 VanDerWaalsContact CA-OE2 3.31Å; G60-E62 WeakPolarHBondContact CA-OE2 3.37Å; G60-E62 PolarHBondContact O-N 3.42Å; E62-C64 VanDerWaalsContact C-N 3.27Å; E62-L137 WeakPolarHBondContact O-CD2 3.33Å
63D80.1Confident81.4Confident30 Ų3070.1 Ų70.116%0.1636%0.359CS..G310 helixtrans-88.4-1172-66.8-54.7000112.3G60 V61 L84 R87 L137G60-D63 PolarHBondContact N-OD2 3.44Å; G60-D63 PolarHBondContact O-N 3.4Å; V61-D63 VanDerWaalsContact C-N 3.31Å; V61-D63 PolarHBondContact O-N 3.25Å; D63-L84 HydrophobicContact CB-CD1 3.87Å; D63-R87 IonicContact OD1-CZ 3.54Å; D63-R87 IonicContact OD1-NH2 3.75Å; D63-L137 VanDerWaalsContact O-CD1 3.31Å; D63-L137 WeakPolarHBondContact O-CD1 3.36Å
64C84.6Confident80.8Confident3 Ų364.6 Ų64.62%0.0235%0.346CS..EExtended strand (participates in β ladder)trans-108.4154.9-179.6-62.30000111.2F12 G60 V61 E62 F82 A83F12-C64 HydrophobicContact CE2-CB 3.98Å; F12-C64 VanDerWaalsContact CE2-SG 3.56Å; G60-C64 PolarHBondContact O-SG 2.89Å; V61-C64 WeakPolarHBondContact O-CA 3.49Å; V61-C64 WeakPolarHBondContact O-CB 3.49Å; V61-C64 PolarHBondContact O-N 3.38Å; E62-C64 VanDerWaalsContact C-N 3.27Å; C64-F82 HydrophobicContact CB-CB 4.24Å; C64-F82 HydrophobicContact CB-CD1 4.08Å; C64-F82 HydrophobicContact CB-CG 4.35Å; C64-A83 CarbonylContact C-O 3.55Å; C64-A83 VanDerWaalsContact CA-O 3.24Å; C64-A83 WeakPolarHBondContact CA-O 3.2Å
65A82.8Confident79.9Confident6 Ų664.3 Ų64.35%0.0535%0.346CS..EExtended strand (participates in β ladder)trans-130.9136.7164.300000110.3L67 F82 A83 P132 L136A65-L67 PolarHBondContact O-N 2.75Å; A65-F82 CarbonylContact O-C 3.55Å; A65-F82 VanDerWaalsContact O-CA 3.26Å; A65-F82 WeakPolarHBondContact O-CA 3.22Å; A65-A83 PolarHBondContact N-O 2.8Å; A65-A83 PolarHBondContact O-N 3.2Å; A65-P132 HydrophobicContact CB-CB 3.11Å; A65-P132 HydrophobicContact CB-CG 3.97Å; A65-L136 HydrophobicContact CB-CD1 4.49Å
66L85.7Confident79.2Confident29 Ų2969.5 Ų69.515%0.15237%0.369CS..EExtended strand (participates in β ladder)trans-71119.3176-175.866.2000110.1K2 V8 P80 F82K2-L66 HydrophobicContact CG-CD2 4.4Å; V8-L66 HydrophobicContact CG2-CD2 4.11Å; L66-P80 HydrophobicContact CD1-CB 3.62Å; L66-F82 HydrophobicContact CB-CD1 4.31Å; L66-F82 HydrophobicContact CB-CE1 4.16Å; L66-F82 HydrophobicContact CD1-CD1 4.24Å; L66-F82 HydrophobicContact CD1-CE1 3.87Å; L66-F82 HydrophobicContact CD1-CZ 4.29Å
67L82.8Confident79Confident21 Ų2164.9 Ų64.911%0.1135%0.35CS..EExtended strand (participates in β ladder)trans-92.2-50.7178.6-54.6-174.2000111.9F18 A65 I81 A83 L125 K128 A129 P132F18-L67 HydrophobicContact CB-CD1 4.46Å; F18-L67 HydrophobicContact CD2-CD1 3.91Å; F18-L67 HydrophobicContact CG-CD1 4.36Å; A65-L67 PolarHBondContact O-N 2.75Å; L67-I81 HydrophobicContact CB-CG2 4.23Å; L67-I81 WeakPolarHBondContact CB-O 3.37Å; L67-I81 HydrophobicContact CD1-CG2 4.11Å; L67-I81 PolarHBondContact N-O 3.38Å; L67-A83 HydrophobicContact CD1-CB 3.96Å; L67-A83 HydrophobicContact CD2-CB 3.74Å; L67-A83 HydrophobicContact CG-CB 4.04Å; L67-L125 HydrophobicContact CB-CD1 4.14Å; L67-L125 HydrophobicContact CD1-CD1 4.14Å; L67-K128 WeakPolarHBondContact CD2-O 3.31Å; L67-A129 HydrophobicContact CD1-CB 3.46Å; L67-A129 VanDerWaalsContact CD1-CB 3.46Å; L67-A129 HydrophobicContact CD2-CB 4.39Å; L67-P132 HydrophobicContact CD2-CB 4.43Å; L67-P132 HydrophobicContact CD2-CG 3.34Å
68D84.7Confident78.9Confident57 Ų5765.9 Ų65.931%0.30535%0.352SS..EExtended strand (participates in β ladder)trans-160.2175.4-172.9-144.2-14.9000110.8I81D68-I81 HydrophobicContact CB-CB 4.49Å; D68-I81 HydrophobicContact CB-CD1 4.25Å; D68-I81 PolarHBondContact N-O 2.88Å; D68-I81 PolarHBondContact O-N 2.59Å
69I85Confident79.1Confident38 Ų3862.1 Ų62.120%0.19532%0.324CS..EExtended strand (participates in β ladder)trans-130.1127176.4-59.6165.2000107.5M1 K2 D71 W78M1-I69 HydrophobicContact CB-CD1 3.63Å; M1-I69 HydrophobicContact CG-CD1 4.38Å; M1-I69 HydrophobicContact SD-CD1 4.14Å; M1-I69 HydrophobicContact SD-CG1 4.34Å; K2-I69 HydrophobicContact CG-CD1 4.47Å; I69-D71 PolarHBondContact O-N 2.89Å; I69-W78 HydrophobicContact CG2-CB 3.62Å; I69-W78 HydrophobicContact CG2-CD2 4.06Å; I69-W78 HydrophobicContact CG2-CE3 4.37Å; I69-W78 HydrophobicContact CG2-CG 3.77Å
70V82.5Confident79.4Confident58 Ų5860.5 Ų60.535%0.35232%0.317SS..EExtended strand (participates in β ladder)trans-80.1115.7168.5-172.80000107.6T72 V79 I81V70-T72 HydrophobicContact CG1-CG2 4.32Å; V70-V79 HydrophobicContact CB-CB 4.28Å; V70-V79 PolarHBondContact N-O 2.85Å; V70-V79 PolarHBondContact O-N 2.79Å; V70-V79 VanDerWaalsContact O-N 3.16Å; V70-I81 HydrophobicContact CG2-CD1 3.55Å; V70-I81 HydrophobicContact CG2-CG1 3.99Å
71D75.8Confident79.7Confident111 Ų11160.4 Ų60.459%0.59431%0.314SS*.  trans-76.5133.7174.2-161.4-7.4000110.3I69 D73 W78I69-D71 PolarHBondContact O-N 2.89Å; D71-D73 PolarHBondContact OD1-N 3.42Å; D71-W78 PolarHBondContact OD1-NE1 2.81Å
72T67.3Low80Confident48 Ų4859.2 Ų59.229%0.29431%0.307SS..  trans-139.744.4-17447.50000109.8V70 T74 N77V70-T72 HydrophobicContact CG1-CG2 4.32Å; T72-T74 PolarHBondContact O-N 3.48Å; T72-N77 WeakPolarHBondContact OG1-CB 3.47Å; T72-N77 PolarHBondContact OG1-O 3.13Å
73D68.4Low80.6Confident165 Ų16553.2 Ų53.288%0.88228%0.279SS*.SBendtrans74.8-28.1172.6-50.6-45.8000116.3D71D71-D73 PolarHBondContact OD1-N 3.42Å
74T73.1Confident81Confident67 Ų6751.8 Ų51.841%0.41127%0.271SS..SBendtrans-132145.3175.261.90000112.1T72 Q76 N77 W78T72-T74 PolarHBondContact O-N 3.48Å; T74-Q76 PolarHBondContact O-N 3.15Å; T74-N77 PolarHBondContact O-N 2.8Å; T74-N77 VanDerWaalsContact OG1-CG 3.3Å; T74-N77 PolarHBondContact OG1-ND2 3.39Å; T74-N77 VanDerWaalsContact OG1-ND2 3.11Å; T74-W78 VanDerWaalsContact O-CD1 3.31Å; T74-W78 PolarHBondContact O-N 2.89Å
75E66.7Low81.1Confident142 Ų14251.8 Ų51.866%0.66427%0.271SS*.G310 helixtrans-56.9-28.1-179-56.6-161.2150.300113.1N77 W78E75-N77 VanDerWaalsContact C-N 3.3Å; E75-N77 PolarHBondContact O-N 3.13Å; E75-W78 HydrophobicContact CB-CD2 4.22Å; E75-W78 HydrophobicContact CB-CE3 4.21Å; E75-W78 HydrophobicContact CB-CH2 4.18Å; E75-W78 HydrophobicContact CB-CZ2 4.22Å; E75-W78 HydrophobicContact CB-CZ3 4.17Å; E75-W78 HydrophobicContact CG-CH2 3.6Å; E75-W78 HydrophobicContact CG-CZ2 3.66Å; E75-W78 HydrophobicContact CG-CZ3 4.06Å; E75-W78 WeakPolarHBondContact O-CB 3.09Å; E75-W78 WeakPolarHBondContact OE1-CH2 3.21Å
76Q70.1Confident81.2Confident157 Ų15751.7 Ų51.773%0.73427%0.269SS*.G310 helixtrans-72.6-21.4178.5-66.2179.6-5.100113.6R14 T74R14-Q76 PolarHBondContact NH1-O 3.2Å; R14-Q76 VanDerWaalsContact NH1-O 3.12Å; T74-Q76 PolarHBondContact O-N 3.15Å
77N78.3Confident80.9Confident89 Ų8954.7 Ų54.748%0.47628%0.279SS..G310 helixtrans-98.1-6.1-179.4-69.5-17.3000112.9T72 T74 E75 V79T72-N77 WeakPolarHBondContact OG1-CB 3.47Å; T72-N77 PolarHBondContact OG1-O 3.13Å; T74-N77 PolarHBondContact O-N 2.8Å; T74-N77 VanDerWaalsContact OG1-CG 3.3Å; T74-N77 PolarHBondContact OG1-ND2 3.39Å; T74-N77 VanDerWaalsContact OG1-ND2 3.11Å; E75-N77 VanDerWaalsContact C-N 3.3Å; E75-N77 PolarHBondContact O-N 3.13Å; N77-V79 PolarHBondContact O-N 3.3Å
78W83.5Confident80.9Confident52 Ų5254.4 Ų54.420%0.19728%0.277CS..  trans-53.9128.9-179.7-76.5-2.7000111.9M1 I69 D71 T74 E75 P80M1-W78 HydrophobicContact CE-CB 3.89Å; M1-W78 HydrophobicContact CG-CE3 4.47Å; M1-W78 HydrophobicContact SD-CB 4.41Å; I69-W78 HydrophobicContact CG2-CB 3.62Å; I69-W78 HydrophobicContact CG2-CD2 4.06Å; I69-W78 HydrophobicContact CG2-CE3 4.37Å; I69-W78 HydrophobicContact CG2-CG 3.77Å; D71-W78 PolarHBondContact OD1-NE1 2.81Å; T74-W78 VanDerWaalsContact O-CD1 3.31Å; T74-W78 PolarHBondContact O-N 2.89Å; E75-W78 HydrophobicContact CB-CD2 4.22Å; E75-W78 HydrophobicContact CB-CE3 4.21Å; E75-W78 HydrophobicContact CB-CH2 4.18Å; E75-W78 HydrophobicContact CB-CZ2 4.22Å; E75-W78 HydrophobicContact CB-CZ3 4.17Å; E75-W78 HydrophobicContact CG-CH2 3.6Å; E75-W78 HydrophobicContact CG-CZ2 3.66Å; E75-W78 HydrophobicContact CG-CZ3 4.06Å; E75-W78 WeakPolarHBondContact O-CB 3.09Å; E75-W78 WeakPolarHBondContact OE1-CH2 3.21Å; W78-P80 WeakPolarHBondContact O-CD 3.37Å
79V86Confident80.8Confident35 Ų3556.7 Ų56.721%0.21229%0.29CS..EExtended strand (participates in β ladder)trans-103.6111.4178.5-179.60000108.9Q16 V70 N77Q16-V79 HydrophobicContact CG-CG1 3.89Å; V70-V79 HydrophobicContact CB-CB 4.28Å; V70-V79 PolarHBondContact N-O 2.85Å; V70-V79 PolarHBondContact O-N 2.79Å; V70-V79 VanDerWaalsContact O-N 3.16Å; N77-V79 PolarHBondContact O-N 3.3Å
80P89.1Confident80.6Confident0 Ų063.2 Ų63.20%032%0.317CS..EExtended strand (participates in β ladder)trans-70.5138.7175.627.8-32.4000110.7M1 N11 G15 Q16 L66 W78 F82M1-P80 HydrophobicContact SD-CB 4.29Å; N11-P80 HydrophobicContact CB-CG 4.24Å; N11-P80 WeakPolarHBondContact O-CG 3.4Å; G15-P80 CarbonylContact C-O 3.52Å; G15-P80 WeakPolarHBondContact CA-O 3.11Å; Q16-P80 PolarHBondContact N-O 2.89Å; L66-P80 HydrophobicContact CD1-CB 3.62Å; W78-P80 WeakPolarHBondContact O-CD 3.37Å; P80-F82 HydrophobicContact CB-CD2 4.34Å; P80-F82 HydrophobicContact CB-CE1 4.47Å; P80-F82 HydrophobicContact CB-CE2 3.61Å; P80-F82 HydrophobicContact CB-CZ 3.68Å; P80-F82 HydrophobicContact CG-CD2 4.48Å; P80-F82 HydrophobicContact CG-CE2 3.54Å; P80-F82 HydrophobicContact CG-CZ 3.88Å
81I89Confident80.4Confident9 Ų965 Ų655%0.04632%0.324CS..EExtended strand (participates in β ladder)trans-103.2121.6171.8-61.7170.1000107.9Q16 F18 W42 L67 D68 V70Q16-I81 CarbonylContact O-C 3.53Å; Q16-I81 WeakPolarHBondContact O-CA 3.48Å; F18-I81 HydrophobicContact CD2-CG2 3.83Å; F18-I81 HydrophobicContact CE2-CG2 3.97Å; W42-I81 HydrophobicContact CH2-CD1 4.07Å; W42-I81 HydrophobicContact CH2-CG2 4.29Å; W42-I81 HydrophobicContact CZ3-CD1 4.21Å; W42-I81 HydrophobicContact CZ3-CG1 4.22Å; W42-I81 HydrophobicContact CZ3-CG2 3.86Å; L67-I81 HydrophobicContact CB-CG2 4.23Å; L67-I81 WeakPolarHBondContact CB-O 3.37Å; L67-I81 HydrophobicContact CD1-CG2 4.11Å; L67-I81 PolarHBondContact N-O 3.38Å; D68-I81 HydrophobicContact CB-CB 4.49Å; D68-I81 HydrophobicContact CB-CD1 4.25Å; D68-I81 PolarHBondContact N-O 2.88Å; D68-I81 PolarHBondContact O-N 2.59Å; V70-I81 HydrophobicContact CG2-CD1 3.55Å; V70-I81 HydrophobicContact CG2-CG1 3.99Å
82F88.9Confident80.6Confident0 Ų060.2 Ų60.20%030%0.301CS..EExtended strand (participates in β ladder)trans-110.3145.7179.5-63.5-75.2000111.9V8 F12 Q16 F17 F18 C64 A65 L66 P80V8-F82 HydrophobicContact CG1-CE1 3.61Å; V8-F82 HydrophobicContact CG1-CZ 3.64Å; F12-F82 HydrophobicContact CD2-CD2 4.23Å; F12-F82 HydrophobicContact CD2-CE1 4.3Å; F12-F82 AromaticContact CD2-CE2 3.73Å; F12-F82 HydrophobicContact CD2-CE2 3.73Å; F12-F82 AromaticContact CD2-CZ 3.78Å; F12-F82 HydrophobicContact CD2-CZ 3.78Å; F12-F82 HydrophobicContact CE2-CD2 4.38Å; F12-F82 HydrophobicContact CE2-CE2 4.32Å; F12-F82 HydrophobicContact CE2-CZ 4.47Å; Q16-F82 PolarHBondContact O-N 3.27Å; F17-F82 CarbonylContact C-O 3.5Å; F17-F82 WeakPolarHBondContact CA-O 3.44Å; F17-F82 HydrophobicContact CD1-CB 3.71Å; F17-F82 HydrophobicContact CD1-CD2 4.22Å; F17-F82 HydrophobicContact CD1-CG 4.34Å; F17-F82 HydrophobicContact CE1-CB 3.89Å; F17-F82 AromaticContact CE1-CD2 3.68Å; F17-F82 HydrophobicContact CE1-CD2 3.68Å; F17-F82 HydrophobicContact CE1-CG 4.03Å; F17-F82 HydrophobicContact CE2-CD2 4.45Å; F17-F82 HydrophobicContact CG-CB 4.47Å; F17-F82 AromaticContact CZ-CD2 3.81Å; F17-F82 HydrophobicContact CZ-CD2 3.81Å; F17-F82 HydrophobicContact CZ-CE2 4.37Å; F18-F82 PolarHBondContact N-O 3.29Å; C64-F82 HydrophobicContact CB-CB 4.24Å; C64-F82 HydrophobicContact CB-CD1 4.08Å; C64-F82 HydrophobicContact CB-CG 4.35Å; A65-F82 CarbonylContact O-C 3.55Å; A65-F82 VanDerWaalsContact O-CA 3.26Å; A65-F82 WeakPolarHBondContact O-CA 3.22Å; L66-F82 HydrophobicContact CB-CD1 4.31Å; L66-F82 HydrophobicContact CB-CE1 4.16Å; L66-F82 HydrophobicContact CD1-CD1 4.24Å; L66-F82 HydrophobicContact CD1-CE1 3.87Å; L66-F82 HydrophobicContact CD1-CZ 4.29Å; P80-F82 HydrophobicContact CB-CD2 4.34Å; P80-F82 HydrophobicContact CB-CE1 4.47Å; P80-F82 HydrophobicContact CB-CE2 3.61Å; P80-F82 HydrophobicContact CB-CZ 3.68Å; P80-F82 HydrophobicContact CG-CD2 4.48Å; P80-F82 HydrophobicContact CG-CE2 3.54Å; P80-F82 HydrophobicContact CG-CZ 3.88Å
83A88.3Confident81.2Confident0 Ų062.3 Ų62.30%031%0.307CS..EExtended strand (participates in β ladder)trans-92.7124.2154.800000108.6F18 C64 A65 L67 A129 P132F18-A83 CarbonylContact O-C 3.55Å; F18-A83 WeakPolarHBondContact O-CA 3.43Å; C64-A83 CarbonylContact C-O 3.55Å; C64-A83 VanDerWaalsContact CA-O 3.24Å; C64-A83 WeakPolarHBondContact CA-O 3.2Å; A65-A83 PolarHBondContact N-O 2.8Å; A65-A83 PolarHBondContact O-N 3.2Å; L67-A83 HydrophobicContact CD1-CB 3.96Å; L67-A83 HydrophobicContact CD2-CB 3.74Å; L67-A83 HydrophobicContact CG-CB 4.04Å; A83-A129 HydrophobicContact CB-CB 4.06Å; A83-A129 WeakPolarHBondContact CB-O 3.42Å; A83-P132 HydrophobicContact CB-CB 4.2Å; A83-P132 HydrophobicContact CB-CG 3.98Å
84L88Confident81.9Confident0 Ų061.5 Ų61.50%030%0.296CS..EExtended strand (participates in β ladder)trans-114.1132.1174.8168.962.6000108.7F17 F18 V19 F20 L48 F59 D63 I86F17-L84 HydrophobicContact CD1-CB 4.19Å; F17-L84 HydrophobicContact CD1-CD2 4.49Å; F18-L84 PolarHBondContact O-N 2.71Å; V19-L84 CarbonylContact C-O 3.58Å; V19-L84 WeakPolarHBondContact CA-O 3.48Å; V19-L84 HydrophobicContact CG2-CD2 4.47Å; F20-L84 PolarHBondContact N-O 2.78Å; L48-L84 HydrophobicContact CD1-CD2 4.05Å; L48-L84 HydrophobicContact CD2-CD2 3.76Å; F59-L84 HydrophobicContact CB-CD1 3.96Å; F59-L84 HydrophobicContact CB-CD2 4.33Å; F59-L84 HydrophobicContact CD2-CD1 4.4Å; F59-L84 HydrophobicContact CD2-CD2 3.97Å; F59-L84 HydrophobicContact CG-CD2 4.18Å; D63-L84 HydrophobicContact CB-CD1 3.87Å; L84-I86 HydrophobicContact CD2-CD1 4.41Å; L84-I86 HydrophobicContact CD2-CG1 3.98Å; L84-I86 HydrophobicContact CG-CG1 4.07Å
85N86.2Confident82.5Confident3 Ų362.4 Ų62.42%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-111.6102.2169.4-173.722.5000110.1F20 Q23 R87 A133 L137F20-N85 HydrophobicContact CB-CB 4.28Å; F20-N85 CarbonylContact O-C 3.53Å; F20-N85 WeakPolarHBondContact O-CA 3.47Å; F20-N85 PolarHBondContact O-OD1 3.44Å; Q23-N85 PolarHBondContact N-OD1 2.89Å; Q23-N85 PolarHBondContact NE2-ND2 3.37Å; Q23-N85 VanDerWaalsContact NE2-ND2 3.14Å; N85-R87 PolarHBondContact O-N 3.16Å; N85-A133 HydrophobicContact CB-CB 4.12Å; N85-A133 WeakPolarHBondContact CB-O 3.32Å; N85-A133 PolarHBondContact ND2-O 3.16Å; N85-L137 HydrophobicContact CB-CD1 3.45Å; N85-L137 VanDerWaalsContact CB-CD1 3.45Å
86I85.4Confident83.4Confident4 Ų455.6 Ų55.62%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-70.8114.2172.8-59.3178.2000107.8V19 F20 D22 L48 T52 L57 L84 L88 F103V19-I86 HydrophobicContact CG1-CD1 3.55Å; V19-I86 HydrophobicContact CG1-CG1 3.93Å; F20-I86 PolarHBondContact O-N 3.16Å; D22-I86 PolarHBondContact N-O 3.44Å; L48-I86 HydrophobicContact CD2-CD1 4.31Å; T52-I86 HydrophobicContact CG2-CD1 4.24Å; L57-I86 HydrophobicContact CD1-CG2 3.82Å; L84-I86 HydrophobicContact CD2-CD1 4.41Å; L84-I86 HydrophobicContact CD2-CG1 3.98Å; L84-I86 HydrophobicContact CG-CG1 4.07Å; I86-L88 HydrophobicContact CG2-CD2 4.21Å; I86-F103 HydrophobicContact CD1-CE2 4.02Å; I86-F103 HydrophobicContact CD1-CZ 3.91Å
87R79.3Confident84.4Confident92 Ų9252.1 Ų52.135%0.34725%0.253SS..  trans-86.9143.7175.3-63.7-178.3-169.8144.617.6109.6D63 N85 R141D63-R87 IonicContact OD1-CZ 3.54Å; D63-R87 IonicContact OD1-NH2 3.75Å; N85-R87 PolarHBondContact O-N 3.16Å; R87-R141 VanDerWaalsContact CZ-NH1 3.34Å
88L83.5Confident84.9Confident15 Ų1552.1 Ų52.18%0.07925%0.253CS..  trans-117.7138177.3-58.1176.5000107.8V21 D22 L57 I86 G92 Q93 A96 I99V21-L88 HydrophobicContact CG1-CD1 3.43Å; V21-L88 VanDerWaalsContact CG1-CD1 3.43Å; V21-L88 HydrophobicContact CG1-CG 4.16Å; D22-L88 HydrophobicContact CB-CD1 4.4Å; L57-L88 HydrophobicContact CD1-CD2 3.95Å; L57-L88 HydrophobicContact CD2-CD2 3.78Å; I86-L88 HydrophobicContact CG2-CD2 4.21Å; L88-G92 WeakPolarHBondContact CD1-O 3.48Å; L88-Q93 HydrophobicContact CB-CG 4.02Å; L88-A96 HydrophobicContact CD1-CB 3.37Å; L88-I99 HydrophobicContact CD1-CD1 4.05Å; L88-I99 HydrophobicContact CD2-CD1 3.55Å; L88-I99 HydrophobicContact CG-CD1 4.47Å
89D82.7Confident85.1Confident106 Ų10649.8 Ų49.857%0.56724%0.244SC*.  trans-72-176.8166.864.3-3.7000110.3D91 G92 Q93D89-D91 PolarHBondContact O-N 3.38Å; D89-D91 PolarHBondContact OD1-N 3.16Å; D89-G92 PolarHBondContact O-N 3.39Å; D89-G92 WeakPolarHBondContact OD1-CA 2.82Å; D89-G92 PolarHBondContact OD1-N 2.87Å; D89-Q93 WeakPolarHBondContact O-CB 3.33Å; D89-Q93 VanDerWaalsContact O-CG 3.3Å; D89-Q93 WeakPolarHBondContact O-CG 3.1Å; D89-Q93 PolarHBondContact O-N 3.01Å
90K80.6Confident85.1Confident175 Ų17548.1 Ų48.176%0.76123%0.234SC*.Hα-helixtrans-59.2-32.8-176.4-69.8-175.4178.6179.40112.9
91D78.3Confident85.2Confident95 Ų9553 Ų5351%0.50826%0.26SS..Hα-helixtrans-83.6-41.5179.7-68-45.1000111.6D89 Q93 K94 N95D89-D91 PolarHBondContact O-N 3.38Å; D89-D91 PolarHBondContact OD1-N 3.16Å; D91-Q93 VanDerWaalsContact C-N 3.26Å; D91-Q93 PolarHBondContact O-N 3.41Å; D91-K94 WeakPolarHBondContact O-CB 3.12Å; D91-K94 PolarHBondContact O-N 3.25Å; D91-K94 VanDerWaalsContact O-N 3.09Å; D91-K94 IonicContact OD1-NZ 3.8Å; D91-K94 PolarHBondContact OD1-NZ 2.84Å; D91-N95 PolarHBondContact O-N 3.08Å
92G79Confident85.1Confident10 Ų1055.7 Ų55.710%0.10327%0.273CS..Hα-helixtrans-58-37.5171.200000112.4L88 D89 K94 N95 A96L88-G92 WeakPolarHBondContact CD1-O 3.48Å; D89-G92 PolarHBondContact O-N 3.39Å; D89-G92 WeakPolarHBondContact OD1-CA 2.82Å; D89-G92 PolarHBondContact OD1-N 2.87Å; G92-K94 PolarHBondContact O-N 3.2Å; G92-N95 CarbonylContact O-C 3.58Å; G92-N95 PolarHBondContact O-N 3.08Å; G92-A96 PolarHBondContact O-N 2.9Å
93Q81.2Confident85.1Confident92 Ų9256.4 Ų56.443%0.4328%0.276SS..Hα-helixtrans-58.3-34.8176.4-81.7-179.6-13.100112.7L88 D89 D91 N95 A96L88-Q93 HydrophobicContact CB-CG 4.02Å; D89-Q93 WeakPolarHBondContact O-CB 3.33Å; D89-Q93 VanDerWaalsContact O-CG 3.3Å; D89-Q93 WeakPolarHBondContact O-CG 3.1Å; D89-Q93 PolarHBondContact O-N 3.01Å; D91-Q93 VanDerWaalsContact C-N 3.26Å; D91-Q93 PolarHBondContact O-N 3.41Å; Q93-N95 VanDerWaalsContact C-N 3.34Å; Q93-A96 VanDerWaalsContact O-CB 3.3Å; Q93-A96 WeakPolarHBondContact O-CB 3.44Å; Q93-A96 PolarHBondContact O-N 3.36Å
94K82.6Confident85Confident148 Ų14858.5 Ų58.564%0.64330%0.297SS*.Hα-helixtrans-66.4-39.2175.2-60.7170.4-172.7155.70111D91 G92 A96D91-K94 WeakPolarHBondContact O-CB 3.12Å; D91-K94 PolarHBondContact O-N 3.25Å; D91-K94 VanDerWaalsContact O-N 3.09Å; D91-K94 IonicContact OD1-NZ 3.8Å; D91-K94 PolarHBondContact OD1-NZ 2.84Å; G92-K94 PolarHBondContact O-N 3.2Å; K94-A96 VanDerWaalsContact C-N 3.34Å
95N85.8Confident85.1Confident86 Ų8658.8 Ų58.846%0.4630%0.3SS..THydrogen-bonded Turntrans-91.79.8-178.8-60.7-9.4000113.1D91 G92 Q93 N97 D98 I99D91-N95 PolarHBondContact O-N 3.08Å; G92-N95 CarbonylContact O-C 3.58Å; G92-N95 PolarHBondContact O-N 3.08Å; Q93-N95 VanDerWaalsContact C-N 3.34Å; N95-N97 PolarHBondContact O-N 3.39Å; N95-N97 VanDerWaalsContact O-N 3.17Å; N95-D98 WeakPolarHBondContact O-CB 3.23Å; N95-D98 PolarHBondContact O-N 3.39Å; N95-I99 WeakPolarHBondContact O-CG1 3.4Å; N95-I99 PolarHBondContact O-N 2.86Å
96A86.7Confident85.2Confident0 Ų060.2 Ų60.20%031%0.312CS..Hα-helixtrans-61.5-30.7-171.700000113.7V21 L88 G92 Q93 K94 A100 R107V21-A96 HydrophobicContact CG1-CB 4.39Å; L88-A96 HydrophobicContact CD1-CB 3.37Å; G92-A96 PolarHBondContact O-N 2.9Å; Q93-A96 VanDerWaalsContact O-CB 3.3Å; Q93-A96 WeakPolarHBondContact O-CB 3.44Å; Q93-A96 PolarHBondContact O-N 3.36Å; K94-A96 VanDerWaalsContact C-N 3.34Å; A96-A100 PolarHBondContact O-N 2.9Å; A96-R107 WeakPolarHBondContact O-CD 3.32Å; A96-R107 PolarHBondContact O-NE 3.44Å
97N89.1Confident85.4Confident84 Ų8462.3 Ų62.345%0.44932%0.32SS..Hα-helixtrans-71.7-38.2173.6-71.6-26.2000111.8N95 A100 N101 R107N95-N97 PolarHBondContact O-N 3.39Å; N95-N97 VanDerWaalsContact O-N 3.17Å; N97-A100 WeakPolarHBondContact O-CB 3.42Å; N97-A100 PolarHBondContact O-N 2.73Å; N97-N101 VanDerWaalsContact O-CG 3.23Å; N97-N101 PolarHBondContact O-N 3.18Å; N97-N101 PolarHBondContact O-ND2 3.09Å; N97-R107 VanDerWaalsContact OD1-CZ 3.25Å; N97-R107 PolarHBondContact OD1-NE 2.78Å; N97-R107 PolarHBondContact OD1-NH2 2.8Å
98D89.1Confident85.8Confident88 Ų8858.2 Ų58.247%0.47131%0.305SS..Hα-helixtrans-67.3-42.5178.9-56.8-41.6000110.6N95 A100 N101 E102N95-D98 WeakPolarHBondContact O-CB 3.23Å; N95-D98 PolarHBondContact O-N 3.39Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 3.36Å; D98-N101 WeakPolarHBondContact O-CB 3.49Å; D98-N101 PolarHBondContact O-N 3.42Å; D98-N101 VanDerWaalsContact O-N 3.1Å; D98-E102 WeakPolarHBondContact O-CG 3.45Å; D98-E102 PolarHBondContact O-N 3.32Å
99I87.3Confident85.8Confident4 Ų460.9 Ų60.92%0.02132%0.319CS..Hα-helixtrans-57.2-43.7172.9-65.2165.4000110.8L57 L88 N95 E102 F103L57-I99 HydrophobicContact CD1-CD1 4.19Å; L57-I99 HydrophobicContact CD1-CG2 4.32Å; L88-I99 HydrophobicContact CD1-CD1 4.05Å; L88-I99 HydrophobicContact CD2-CD1 3.55Å; L88-I99 HydrophobicContact CG-CD1 4.47Å; N95-I99 WeakPolarHBondContact O-CG1 3.4Å; N95-I99 PolarHBondContact O-N 2.86Å; I99-E102 WeakPolarHBondContact O-CB 3.26Å; I99-E102 PolarHBondContact O-N 3.16Å; I99-F103 HydrophobicContact CG2-CD2 4.3Å; I99-F103 HydrophobicContact CG2-CE2 3.9Å; I99-F103 WeakPolarHBondContact O-CD2 3.31Å; I99-F103 PolarHBondContact O-N 3.34Å
100A88Confident85.8Confident0 Ų055.9 Ų55.90%029%0.292CS..Hα-helixtrans-63.6-42.5176.100000112.3L26 A96 N97 D98 E102 F103 G104 A105 R107L26-A100 HydrophobicContact CD2-CB 3.48Å; L26-A100 VanDerWaalsContact CD2-CB 3.48Å; A96-A100 PolarHBondContact O-N 2.9Å; N97-A100 WeakPolarHBondContact O-CB 3.42Å; N97-A100 PolarHBondContact O-N 2.73Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 3.36Å; A100-E102 VanDerWaalsContact C-N 3.26Å; A100-E102 PolarHBondContact O-N 2.79Å; A100-F103 WeakPolarHBondContact O-CA 3.39Å; A100-F103 WeakPolarHBondContact O-CB 3.24Å; A100-F103 PolarHBondContact O-N 3.17Å; A100-G104 PolarHBondContact O-N 3.38Å; A100-A105 CarbonylContact C-O 3.56Å; A100-A105 PolarHBondContact O-N 2.86Å; A100-R107 HydrophobicContact CB-CG 3.56Å
101N89.4Confident85.8Confident101 Ų10151.6 Ų51.654%0.5427%0.271SS..Hα-helixtrans-61-35176.7-69.4-29.4000112N97 D98 F103 G104 A105N97-N101 VanDerWaalsContact O-CG 3.23Å; N97-N101 PolarHBondContact O-N 3.18Å; N97-N101 PolarHBondContact O-ND2 3.09Å; D98-N101 WeakPolarHBondContact O-CB 3.49Å; D98-N101 PolarHBondContact O-N 3.42Å; D98-N101 VanDerWaalsContact O-N 3.1Å; N101-F103 PolarHBondContact O-N 2.97Å; N101-G104 WeakPolarHBondContact O-CA 3.48Å; N101-G104 PolarHBondContact O-N 3.29Å; N101-A105 PolarHBondContact N-O 3.38Å
102E88.6Confident85.8Confident67 Ų6748.5 Ų48.531%0.31325%0.254SS..Hα-helixtrans-64.8-28.3174.2-68.8-170.417100113.4V51 K54 N55 D98 I99 A100 G104V51-E102 HydrophobicContact CG1-CB 3.91Å; V51-E102 HydrophobicContact CG2-CB 4.41Å; K54-E102 WeakPolarHBondContact CE-OE1 3.37Å; K54-E102 IonicContact NZ-OE1 2.65Å; K54-E102 PolarHBondContact NZ-OE1 3.46Å; K54-E102 IonicContact NZ-OE2 3.49Å; N55-E102 PolarHBondContact ND2-OE2 3.24Å; D98-E102 WeakPolarHBondContact O-CG 3.45Å; D98-E102 PolarHBondContact O-N 3.32Å; I99-E102 WeakPolarHBondContact O-CB 3.26Å; I99-E102 PolarHBondContact O-N 3.16Å; A100-E102 VanDerWaalsContact C-N 3.26Å; A100-E102 PolarHBondContact O-N 2.79Å; E102-G104 PolarHBondContact O-N 3.2Å
103F88Confident86Confident14 Ų1448 Ų486%0.06125%0.249CC..THydrogen-bonded Turntrans-79.2-0.8169.1-70.3-67.7000113.5L26 L43 L48 V51 I86 I99 A100 N101 A105L26-F103 HydrophobicContact CD1-CB 3.69Å; L26-F103 HydrophobicContact CD1-CD1 4.49Å; L26-F103 HydrophobicContact CD1-CD2 3.52Å; L26-F103 HydrophobicContact CD1-CE2 4.24Å; L26-F103 HydrophobicContact CD1-CG 3.67Å; L43-F103 HydrophobicContact CD1-CB 4.3Å; L43-F103 HydrophobicContact CD1-CD1 3.34Å; L43-F103 HydrophobicContact CD1-CE1 3.72Å; L43-F103 HydrophobicContact CD1-CG 3.92Å; L43-F103 HydrophobicContact CD2-CD1 4.05Å; L43-F103 HydrophobicContact CG-CD1 4.35Å; L48-F103 HydrophobicContact CD2-CE1 4.09Å; L48-F103 HydrophobicContact CD2-CZ 4.21Å; V51-F103 HydrophobicContact CB-CD1 3.98Å; V51-F103 HydrophobicContact CB-CE1 3.41Å; V51-F103 VanDerWaalsContact CB-CE1 3.41Å; V51-F103 HydrophobicContact CB-CE2 4.11Å; V51-F103 HydrophobicContact CB-CZ 3.49Å; V51-F103 VanDerWaalsContact CB-CZ 3.49Å; V51-F103 HydrophobicContact CG1-CD1 4.15Å; V51-F103 HydrophobicContact CG1-CD2 3.91Å; V51-F103 HydrophobicContact CG1-CE1 3.74Å; V51-F103 HydrophobicContact CG1-CE2 3.48Å; V51-F103 VanDerWaalsContact CG1-CE2 3.48Å; V51-F103 HydrophobicContact CG1-CG 4.24Å; V51-F103 HydrophobicContact CG1-CZ 3.39Å; V51-F103 HydrophobicContact CG2-CD1 3.71Å; V51-F103 HydrophobicContact CG2-CE1 3.62Å; V51-F103 HydrophobicContact CG2-CG 4.34Å; V51-F103 HydrophobicContact CG2-CZ 4.18Å; I86-F103 HydrophobicContact CD1-CE2 4.02Å; I86-F103 HydrophobicContact CD1-CZ 3.91Å; I99-F103 HydrophobicContact CG2-CD2 4.3Å; I99-F103 HydrophobicContact CG2-CE2 3.9Å; I99-F103 WeakPolarHBondContact O-CD2 3.31Å; I99-F103 PolarHBondContact O-N 3.34Å; A100-F103 WeakPolarHBondContact O-CA 3.39Å; A100-F103 WeakPolarHBondContact O-CB 3.24Å; A100-F103 PolarHBondContact O-N 3.17Å; N101-F103 PolarHBondContact O-N 2.97Å; F103-A105 VanDerWaalsContact C-N 3.33Å
104G85.7Confident86Confident44 Ų4444 Ų4445%0.45423%0.23SC..THydrogen-bonded Turntrans66.634.1-176.200000112.9A100 N101 E102A100-G104 PolarHBondContact O-N 3.38Å; N101-G104 WeakPolarHBondContact O-CA 3.48Å; N101-G104 PolarHBondContact O-N 3.29Å; E102-G104 PolarHBondContact O-N 3.2Å
105A90.2Very high85.8Confident7 Ų737.7 Ų37.76%0.05820%0.204CC..  trans-144.1164.9-179.200000111.1L26 C41 A100 N101 F103L26-A105 HydrophobicContact CB-CB 3.98Å; C41-A105 HydrophobicContact CB-CB 3.86Å; A100-A105 CarbonylContact C-O 3.56Å; A100-A105 PolarHBondContact O-N 2.86Å; N101-A105 PolarHBondContact N-O 3.38Å; F103-A105 VanDerWaalsContact C-N 3.33Å
106A89.3Confident85.5Confident32 Ų3233.8 Ų33.826%0.26418%0.183SC..EExtended strand (participates in β ladder)trans-103.9154.3173.100000110.5F27 L29 V108F27-A106 PolarHBondContact N-O 3.36Å; F27-A106 PolarHBondContact O-N 3.04Å; L29-A106 HydrophobicContact CD1-CB 4.4Å; A106-V108 HydrophobicContact CB-CG2 4.25Å
107R90.1Very high85.1Confident49 Ų4934.5 Ų34.519%0.18519%0.187CC..EExtended strand (participates in β ladder)trans-80.6119.7164.8-60.5-170.6-58.4150.9-3.4108.7V21 K24 L26 A96 N97 A100V21-R107 HydrophobicContact CB-CG 4.48Å; K24-R107 HydrophobicContact CB-CB 4.04Å; K24-R107 HydrophobicContact CD-CB 4.08Å; L26-R107 HydrophobicContact CD2-CG 4.41Å; A96-R107 WeakPolarHBondContact O-CD 3.32Å; A96-R107 PolarHBondContact O-NE 3.44Å; N97-R107 VanDerWaalsContact OD1-CZ 3.25Å; N97-R107 PolarHBondContact OD1-NE 2.78Å; N97-R107 PolarHBondContact OD1-NH2 2.8Å; A100-R107 HydrophobicContact CB-CG 3.56Å
108V86.6Confident84.3Confident6 Ų635.8 Ų35.84%0.03619%0.19CC..  trans-117.8148.5-178.9-179.60000108.9P25 F27 L29 A106 E112 A113P25-V108 WeakPolarHBondContact CD-O 3.31Å; P25-V108 PolarHBondContact O-N 3.13Å; F27-V108 HydrophobicContact CB-CB 3.91Å; F27-V108 HydrophobicContact CB-CG2 3.66Å; F27-V108 HydrophobicContact CD1-CG2 4.15Å; F27-V108 HydrophobicContact CG-CB 4.44Å; F27-V108 HydrophobicContact CG-CG2 4.27Å; L29-V108 HydrophobicContact CD1-CG2 4.45Å; A106-V108 HydrophobicContact CB-CG2 4.25Å; V108-E112 HydrophobicContact CG1-CB 3.68Å; V108-E112 HydrophobicContact CG1-CG 3.47Å; V108-E112 VanDerWaalsContact CG1-CG 3.47Å; V108-A113 HydrophobicContact CG1-CB 4.22Å
109D84.4Confident83.7Confident70 Ų7034.9 Ų34.937%0.37419%0.185SC..  trans-58.5143.7169.9179.9-95.6000109R111 E112 A113D109-R111 VanDerWaalsContact C-N 3.34Å; D109-R111 PolarHBondContact O-N 3.08Å; D109-R111 WeakPolarHBondContact OD1-CA 3.2Å; D109-R111 WeakPolarHBondContact OD1-CB 3.4Å; D109-R111 PolarHBondContact OD1-N 2.78Å; D109-E112 HydrophobicContact CB-CB 4.02Å; D109-E112 CarbonylContact O-C 3.49Å; D109-E112 WeakPolarHBondContact O-CB 3.26Å; D109-E112 PolarHBondContact O-N 3.12Å; D109-E112 PolarHBondContact OD1-N 2.91Å; D109-A113 PolarHBondContact O-N 3.2Å
110F82.1Confident83Confident1 Ų137.2 Ų37.20%0.00420%0.202CC..Hα-helixtrans-65.9-37.4-175.7176.7-85.4000113.4F20 P25 E112 A113 L114 L126 R130 P364 F365F20-F110 HydrophobicContact CE1-CD2 4.16Å; P25-F110 HydrophobicContact CG-CB 4.45Å; P25-F110 HydrophobicContact CG-CD2 4.27Å; F110-E112 PolarHBondContact O-N 2.77Å; F110-A113 PolarHBondContact O-N 2.91Å; F110-L114 HydrophobicContact CE1-CB 4.35Å; F110-L114 HydrophobicContact CE1-CD2 4.22Å; F110-L114 WeakPolarHBondContact O-CB 3.14Å; F110-L114 PolarHBondContact O-N 3.31Å; F110-L126 HydrophobicContact CD2-CD1 4.04Å; F110-L126 HydrophobicContact CD2-CD2 4.4Å; F110-L126 HydrophobicContact CD2-CG 4.1Å; F110-L126 HydrophobicContact CE2-CD1 3.63Å; F110-L126 HydrophobicContact CE2-CD2 4.07Å; F110-L126 HydrophobicContact CE2-CG 3.41Å; F110-L126 VanDerWaalsContact CE2-CG 3.41Å; F110-L126 WeakPolarHBondContact CE2-O 3.45Å; F110-L126 HydrophobicContact CZ-CG 3.98Å; F110-R130 HydrophobicContact CD2-CB 3.82Å; F110-R130 HydrophobicContact CD2-CG 4.12Å; F110-R130 VanDerWaalsContact CE1-CD 3.45Å; F110-R130 HydrophobicContact CE2-CB 3.26Å; F110-R130 VanDerWaalsContact CE2-CD 3.42Å; F110-R130 HydrophobicContact CE2-CG 3.96Å; F110-R130 HydrophobicContact CG-CG 4.47Å; F110-R130 HydrophobicContact CZ-CB 3.68Å; F110-R130 VanDerWaalsContact CZ-CD 3.47Å; F110-R130 HydrophobicContact CZ-CG 4.24Å; F110-P364 HydrophobicContact CE1-CG 3.78Å; F110-P364 HydrophobicContact CZ-CG 4.04Å; F110-F365 HydrophobicContact CB-CZ 4.17Å; F110-F365 AromaticContact CD1-CE2 3.31Å; F110-F365 HydrophobicContact CD1-CE2 3.31Å; F110-F365 AromaticContact CD1-CZ 3.41Å; F110-F365 HydrophobicContact CD1-CZ 3.41Å; F110-F365 VanDerWaalsContact CD1-CZ 3.41Å; F110-F365 AromaticContact CE1-CE2 3.61Å; F110-F365 HydrophobicContact CE1-CE2 3.61Å; F110-F365 HydrophobicContact CE1-CZ 4.16Å; F110-F365 HydrophobicContact CG-CE2 4.42Å; F110-F365 HydrophobicContact CG-CZ 4.15Å
111R79.6Confident82.6Confident85 Ų8544.3 Ų44.332%0.32123%0.233SC..Hα-helixtrans-64.8-38.9176-66.6-171.616995.2-8.2109.7D109 L114 L115 F365D109-R111 VanDerWaalsContact C-N 3.34Å; D109-R111 PolarHBondContact O-N 3.08Å; D109-R111 WeakPolarHBondContact OD1-CA 3.2Å; D109-R111 WeakPolarHBondContact OD1-CB 3.4Å; D109-R111 PolarHBondContact OD1-N 2.78Å; R111-L114 PolarHBondContact O-N 2.86Å; R111-L115 VanDerWaalsContact O-CB 3.32Å; R111-L115 WeakPolarHBondContact O-CB 3.45Å; R111-L115 WeakPolarHBondContact O-CD1 2.91Å; R111-L115 WeakPolarHBondContact O-CG 3.3Å; R111-L115 PolarHBondContact O-N 3.33Å; R111-F365 HydrophobicContact CG-CE1 4.23Å; R111-F365 HydrophobicContact CG-CE2 3.75Å; R111-F365 HydrophobicContact CG-CZ 3.53Å; R111-F365 VanDerWaalsContact CZ-CD1 3.49Å; R111-F365 VanDerWaalsContact NH1-CE1 3.3Å
112E79.4Confident82.1Confident30 Ų3041.1 Ų41.114%0.1422%0.215CC..Hα-helixtrans-59.8-50.9172.4-177.6178.5-171.100111.9K36 V108 D109 F110 L114 L115 C116 W414K36-E112 WeakPolarHBondContact CD-OE1 2.96Å; K36-E112 WeakPolarHBondContact CE-OE1 3.48Å; K36-E112 IonicContact NZ-OE1 2.85Å; K36-E112 PolarHBondContact NZ-OE1 3.4Å; V108-E112 HydrophobicContact CG1-CB 3.68Å; V108-E112 HydrophobicContact CG1-CG 3.47Å; V108-E112 VanDerWaalsContact CG1-CG 3.47Å; D109-E112 HydrophobicContact CB-CB 4.02Å; D109-E112 CarbonylContact O-C 3.49Å; D109-E112 WeakPolarHBondContact O-CB 3.26Å; D109-E112 PolarHBondContact O-N 3.12Å; D109-E112 PolarHBondContact OD1-N 2.91Å; F110-E112 PolarHBondContact O-N 2.77Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 3.04Å; E112-L115 PolarHBondContact O-N 3.08Å; E112-C116 WeakPolarHBondContact O-CB 3.39Å; E112-C116 PolarHBondContact O-N 3.49Å; E112-C116 PolarHBondContact O-SG 3.47Å; E112-W414 HydrophobicContact CB-CH2 4.14Å; E112-W414 HydrophobicContact CB-CZ2 3.55Å; E112-W414 HydrophobicContact CG-CD2 4.14Å; E112-W414 HydrophobicContact CG-CH2 4.38Å; E112-W414 HydrophobicContact CG-CZ2 3.82Å; E112-W414 PolarHBondContact O-NE1 2.99Å
113A83.2Confident81.6Confident0 Ų038.1 Ų38.10%020%0.202CC..Hα-helixtrans-58-45176.700000112.1P25 F27 V108 D109 F110 L115 C116 L117 L126P25-A113 HydrophobicContact CG-CB 3.92Å; F27-A113 HydrophobicContact CD2-CB 3.8Å; F27-A113 HydrophobicContact CE2-CB 3.99Å; F27-A113 HydrophobicContact CG-CB 4.26Å; V108-A113 HydrophobicContact CG1-CB 4.22Å; D109-A113 PolarHBondContact O-N 3.2Å; F110-A113 PolarHBondContact O-N 2.91Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 2.84Å; A113-C116 PolarHBondContact O-N 2.73Å; A113-L117 WeakPolarHBondContact O-CG 3.38Å; A113-L117 PolarHBondContact O-N 3.37Å; A113-L126 HydrophobicContact CB-CD2 3.93Å
114L80.7Confident81Confident8 Ų840.4 Ų40.44%0.04221%0.214CC..Hα-helixtrans-61.8-39.2178.8-174.465.5000112.2F110 R111 E112 A123 C127 W363 V429F110-L114 HydrophobicContact CE1-CB 4.35Å; F110-L114 HydrophobicContact CE1-CD2 4.22Å; F110-L114 WeakPolarHBondContact O-CB 3.14Å; F110-L114 PolarHBondContact O-N 3.31Å; R111-L114 PolarHBondContact O-N 2.86Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 3.04Å; L114-A123 HydrophobicContact CD1-CB 3.78Å; L114-C127 VanDerWaalsContact CD1-SG 3.54Å; L114-W363 HydrophobicContact CD2-CH2 3.61Å; L114-W363 HydrophobicContact CD2-CZ2 4.41Å; L114-W363 HydrophobicContact CD2-CZ3 4.16Å; L114-V429 HydrophobicContact CD2-CG1 4.23Å
115L78.3Confident80.7Confident16 Ų1639 Ų398%0.08420%0.197CC..Hα-helixtrans-76.9-21.8178.6-73.5169.2000113.3R111 E112 A113 P200 L203 V412 W414 P426R111-L115 VanDerWaalsContact O-CB 3.32Å; R111-L115 WeakPolarHBondContact O-CB 3.45Å; R111-L115 WeakPolarHBondContact O-CD1 2.91Å; R111-L115 WeakPolarHBondContact O-CG 3.3Å; R111-L115 PolarHBondContact O-N 3.33Å; E112-L115 PolarHBondContact O-N 3.08Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 2.84Å; L115-P200 HydrophobicContact CD1-CG 3.95Å; L115-L203 HydrophobicContact CD1-CD2 4.17Å; L115-L203 HydrophobicContact CD2-CD2 4.11Å; L115-V412 HydrophobicContact CD2-CG1 4.4Å; L115-W414 HydrophobicContact CB-CZ2 4.48Å; L115-W414 HydrophobicContact CD1-CZ2 3.62Å; L115-P426 HydrophobicContact CD2-CB 4.47Å; L115-P426 VanDerWaalsContact CD2-CD 3.46Å; L115-P426 HydrophobicContact CD2-CG 3.76Å
116C79.3Confident80.2Confident4 Ų438.7 Ų38.73%0.02719%0.194CC..THydrogen-bonded Turntrans-88-6.7178.3-69.90000113.8F27 K36 G38 E112 A113F27-C116 HydrophobicContact CE1-CB 3.65Å; F27-C116 HydrophobicContact CZ-CB 3.59Å; K36-C116 PolarHBondContact O-SG 3.31Å; G38-C116 PolarHBondContact N-O 3.38Å; E112-C116 WeakPolarHBondContact O-CB 3.39Å; E112-C116 PolarHBondContact O-N 3.49Å; E112-C116 PolarHBondContact O-SG 3.47Å; A113-C116 PolarHBondContact O-N 2.73Å
117L79.4Confident79.6Confident15 Ų1537.7 Ų37.78%0.07919%0.185CC..  trans-84.2132.1-179.2-77.8171.8000111.5F27 V40 A113 M122 A123 L126F27-L117 HydrophobicContact CE2-CD2 3.8Å; F27-L117 HydrophobicContact CE2-CG 3.96Å; F27-L117 HydrophobicContact CZ-CD2 4.21Å; F27-L117 HydrophobicContact CZ-CG 4.3Å; V40-L117 HydrophobicContact CG2-CD1 4.17Å; V40-L117 HydrophobicContact CG2-CD2 4.08Å; A113-L117 WeakPolarHBondContact O-CG 3.38Å; A113-L117 PolarHBondContact O-N 3.37Å; L117-M122 HydrophobicContact CD1-CB 4.41Å; L117-M122 HydrophobicContact CD2-CB 4.21Å; L117-A123 HydrophobicContact CB-CB 4.45Å; L117-A123 HydrophobicContact CD1-CB 4.23Å; L117-L126 HydrophobicContact CD1-CB 4.1Å; L117-L126 HydrophobicContact CD1-CD2 3.55Å; L117-L126 HydrophobicContact CD1-CG 4.44Å
118E71.7Confident79Confident110 Ų11041 Ų4151%0.51420%0.201SC..  trans-86.8-37.1175.3-62.9-176150.800112.3K37 S120K37-E118 VanDerWaalsContact CD-OE1 3.27Å; K37-E118 WeakPolarHBondContact CD-OE1 3.49Å; K37-E118 VanDerWaalsContact CE-OE1 3.25Å; K37-E118 WeakPolarHBondContact CE-OE1 3.29Å; K37-E118 IonicContact NZ-OE1 2.93Å; K37-E118 PolarHBondContact NZ-OE1 3.01Å; E118-S120 PolarHBondContact O-N 2.79Å
119D77Confident78.5Confident70 Ų7040.7 Ų40.737%0.37420%0.199SC..  trans-83.3116.4-178.8-178.21.9000111K121 M122 A123D119-K121 PolarHBondContact O-N 3.39Å; D119-K121 VanDerWaalsContact OD1-CB 3.26Å; D119-K121 WeakPolarHBondContact OD1-CB 3.04Å; D119-K121 PolarHBondContact OD1-N 2.68Å; D119-M122 HydrophobicContact CB-CB 4Å; D119-M122 HydrophobicContact CB-CG 3.85Å; D119-M122 WeakPolarHBondContact O-CB 3.36Å; D119-M122 PolarHBondContact O-N 3.47Å; D119-M122 VanDerWaalsContact O-N 3.1Å; D119-M122 WeakPolarHBondContact OD2-CG 3.02Å; D119-A123 PolarHBondContact O-N 2.76Å
120S72.8Confident77.9Confident53 Ų5338.1 Ų38.137%0.37118%0.184SC..Hα-helixtrans-60.9-31.2175.964.20000112.6E118 A123 N124E118-S120 PolarHBondContact O-N 2.79Å; S120-A123 PolarHBondContact O-N 3.34Å; S120-N124 WeakPolarHBondContact O-CB 3.04Å; S120-N124 VanDerWaalsContact O-CG 3.29Å; S120-N124 PolarHBondContact O-N 3.02Å; S120-N124 PolarHBondContact O-ND2 3.44Å; S120-N124 VanDerWaalsContact O-ND2 3.09Å
121K78.4Confident77.2Confident149 Ų14939 Ų3965%0.64819%0.189SC*.Hα-helixtrans-67.5-41.1174.7-169.4178.6-179.1179.20110.7D119 N124 L125D119-K121 PolarHBondContact O-N 3.39Å; D119-K121 VanDerWaalsContact OD1-CB 3.26Å; D119-K121 WeakPolarHBondContact OD1-CB 3.04Å; D119-K121 PolarHBondContact OD1-N 2.68Å; K121-N124 PolarHBondContact O-N 2.87Å; K121-L125 WeakPolarHBondContact O-CB 3.38Å; K121-L125 PolarHBondContact O-N 2.81Å
122M79.3Confident76.4Confident34 Ų3435.2 Ų35.217%0.16718%0.175CC..Hα-helixtrans-67.6-40174-68-57.9102.700111.9W42 L117 D119 L125 L126W42-M122 HydrophobicContact CZ2-CE 4.23Å; W42-M122 HydrophobicContact CZ2-SD 3.72Å; L117-M122 HydrophobicContact CD1-CB 4.41Å; L117-M122 HydrophobicContact CD2-CB 4.21Å; D119-M122 HydrophobicContact CB-CB 4Å; D119-M122 HydrophobicContact CB-CG 3.85Å; D119-M122 WeakPolarHBondContact O-CB 3.36Å; D119-M122 PolarHBondContact O-N 3.47Å; D119-M122 VanDerWaalsContact O-N 3.1Å; D119-M122 WeakPolarHBondContact OD2-CG 3.02Å; M122-L125 HydrophobicContact CE-CD2 4.35Å; M122-L125 PolarHBondContact O-N 3.5Å; M122-L126 VanDerWaalsContact O-CB 3.31Å; M122-L126 WeakPolarHBondContact O-CB 3.35Å; M122-L126 PolarHBondContact O-N 3.22Å
123A77.3Confident75.4Confident4 Ų433.8 Ų33.83%0.03317%0.169CC..Hα-helixtrans-60-46.7174.900000111.3L114 L117 D119 S120 L125 L126 C127L114-A123 HydrophobicContact CD1-CB 3.78Å; L117-A123 HydrophobicContact CB-CB 4.45Å; L117-A123 HydrophobicContact CD1-CB 4.23Å; D119-A123 PolarHBondContact O-N 2.76Å; S120-A123 PolarHBondContact O-N 3.34Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.29Å; A123-L126 PolarHBondContact O-N 2.81Å; A123-C127 PolarHBondContact O-N 3.1Å; A123-C127 PolarHBondContact O-SG 3.09Å
124N76.3Confident74.7Confident61 Ų6137.6 Ų37.633%0.32618%0.183SC..Hα-helixtrans-59.8-43.3174.2-78.9-38.1000112.2S120 K121 C127 K128 G428S120-N124 WeakPolarHBondContact O-CB 3.04Å; S120-N124 VanDerWaalsContact O-CG 3.29Å; S120-N124 PolarHBondContact O-N 3.02Å; S120-N124 PolarHBondContact O-ND2 3.44Å; S120-N124 VanDerWaalsContact O-ND2 3.09Å; K121-N124 PolarHBondContact O-N 2.87Å; N124-C127 PolarHBondContact O-N 3.24Å; N124-K128 WeakPolarHBondContact O-CB 3.32Å; N124-K128 VanDerWaalsContact O-CG 3.31Å; N124-K128 WeakPolarHBondContact O-CG 3.41Å; N124-K128 PolarHBondContact O-N 2.95Å; N124-G428 PolarHBondContact OD1-O 2.84Å
125L78.8Confident74Confident15 Ų1538.4 Ų38.48%0.07919%0.187CC..Hα-helixtrans-67.9-38.1178.6-169.856.4000111.9F18 W42 L67 K121 M122 A123 K128 A129F18-L125 HydrophobicContact CE2-CD2 3.39Å; F18-L125 HydrophobicContact CE2-CG 3.61Å; F18-L125 HydrophobicContact CZ-CB 4.38Å; F18-L125 HydrophobicContact CZ-CD2 3.58Å; F18-L125 HydrophobicContact CZ-CG 3.73Å; W42-L125 HydrophobicContact CH2-CD2 3.59Å; W42-L125 HydrophobicContact CZ2-CD2 3.96Å; L67-L125 HydrophobicContact CB-CD1 4.14Å; L67-L125 HydrophobicContact CD1-CD1 4.14Å; K121-L125 WeakPolarHBondContact O-CB 3.38Å; K121-L125 PolarHBondContact O-N 2.81Å; M122-L125 HydrophobicContact CE-CD2 4.35Å; M122-L125 PolarHBondContact O-N 3.5Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.29Å; L125-K128 CarbonylContact O-C 3.59Å; L125-K128 WeakPolarHBondContact O-CB 3.5Å; L125-K128 PolarHBondContact O-N 3.48Å; L125-A129 VanDerWaalsContact O-CB 3.27Å; L125-A129 WeakPolarHBondContact O-CB 3.49Å; L125-A129 PolarHBondContact O-N 2.77Å
126L80.6Confident73.6Confident0 Ų038.6 Ų38.60%019%0.188CC..Hα-helixtrans-64.4-42.7173.9178.561000111.4F20 P25 V40 F110 A113 L117 M122 A123 A129 R130F20-L126 HydrophobicContact CZ-CD1 4.01Å; P25-L126 HydrophobicContact CB-CD1 4.12Å; V40-L126 HydrophobicContact CG2-CB 4.45Å; V40-L126 HydrophobicContact CG2-CD1 4.26Å; V40-L126 HydrophobicContact CG2-CD2 4.18Å; F110-L126 HydrophobicContact CD2-CD1 4.04Å; F110-L126 HydrophobicContact CD2-CD2 4.4Å; F110-L126 HydrophobicContact CD2-CG 4.1Å; F110-L126 HydrophobicContact CE2-CD1 3.63Å; F110-L126 HydrophobicContact CE2-CD2 4.07Å; F110-L126 HydrophobicContact CE2-CG 3.41Å; F110-L126 VanDerWaalsContact CE2-CG 3.41Å; F110-L126 WeakPolarHBondContact CE2-O 3.45Å; F110-L126 HydrophobicContact CZ-CG 3.98Å; A113-L126 HydrophobicContact CB-CD2 3.93Å; L117-L126 HydrophobicContact CD1-CB 4.1Å; L117-L126 HydrophobicContact CD1-CD2 3.55Å; L117-L126 HydrophobicContact CD1-CG 4.44Å; M122-L126 VanDerWaalsContact O-CB 3.31Å; M122-L126 WeakPolarHBondContact O-CB 3.35Å; M122-L126 PolarHBondContact O-N 3.22Å; A123-L126 PolarHBondContact O-N 2.81Å; L126-A129 WeakPolarHBondContact O-CB 3.16Å; L126-A129 PolarHBondContact O-N 2.94Å; L126-A129 VanDerWaalsContact O-N 3.11Å; L126-R130 PolarHBondContact O-N 3.33Å
127C76.6Confident73.2Confident12 Ų1238.5 Ų38.58%0.08119%0.187CC..Hα-helixtrans-57.1-48.6170-74.90000111.9L114 A123 N124 A129 R130L114-C127 VanDerWaalsContact CD1-SG 3.54Å; A123-C127 PolarHBondContact O-N 3.1Å; A123-C127 PolarHBondContact O-SG 3.09Å; N124-C127 PolarHBondContact O-N 3.24Å; C127-A129 PolarHBondContact O-N 3.41Å; C127-R130 PolarHBondContact O-N 2.79Å
128K76.5Confident73Confident118 Ų11845.6 Ų45.651%0.51321%0.213SC..Hα-helixtrans-61.8-29.4173.7-72.9176.3-178.7-177.90112.9L67 N124 L125 P132L67-K128 WeakPolarHBondContact CD2-O 3.31Å; N124-K128 WeakPolarHBondContact O-CB 3.32Å; N124-K128 VanDerWaalsContact O-CG 3.31Å; N124-K128 WeakPolarHBondContact O-CG 3.41Å; N124-K128 PolarHBondContact O-N 2.95Å; L125-K128 CarbonylContact O-C 3.59Å; L125-K128 WeakPolarHBondContact O-CB 3.5Å; L125-K128 PolarHBondContact O-N 3.48Å; K128-P132 WeakPolarHBondContact O-CD 3.26Å; K128-P132 WeakPolarHBondContact O-CG 3.49Å
129A76.7Confident73.4Confident0 Ų041.1 Ų41.10%019%0.191CC..Hα-helixtrans-80.5-35.3-178.400000113.4F18 F20 L67 A83 L125 L126 C127 P132 A133F18-A129 HydrophobicContact CB-CB 4.16Å; F18-A129 HydrophobicContact CD1-CB 4.32Å; F18-A129 HydrophobicContact CG-CB 4.18Å; F20-A129 HydrophobicContact CE2-CB 3.91Å; F20-A129 HydrophobicContact CZ-CB 4.12Å; L67-A129 HydrophobicContact CD1-CB 3.46Å; L67-A129 VanDerWaalsContact CD1-CB 3.46Å; L67-A129 HydrophobicContact CD2-CB 4.39Å; A83-A129 HydrophobicContact CB-CB 4.06Å; A83-A129 WeakPolarHBondContact CB-O 3.42Å; L125-A129 VanDerWaalsContact O-CB 3.27Å; L125-A129 WeakPolarHBondContact O-CB 3.49Å; L125-A129 PolarHBondContact O-N 2.77Å; L126-A129 WeakPolarHBondContact O-CB 3.16Å; L126-A129 PolarHBondContact O-N 2.94Å; L126-A129 VanDerWaalsContact O-N 3.11Å; C127-A129 PolarHBondContact O-N 3.41Å; A129-P132 VanDerWaalsContact O-CD 3.28Å; A129-P132 WeakPolarHBondContact O-CD 3.39Å; A129-P132 VanDerWaalsContact O-CG 3.28Å; A129-P132 WeakPolarHBondContact O-CG 3.49Å; A129-A133 WeakPolarHBondContact O-CB 3.48Å; A129-A133 PolarHBondContact O-N 2.89Å
130R71.8Confident73.4Confident15 Ų1539.3 Ų39.36%0.05718%0.18CC..Hα-helixtrans-68.3-42.4179.2169.9173-174.292.8-4112.8F20 F110 L126 C127 P132 A133 R134 P364 F365F20-R130 HydrophobicContact CE1-CB 4.29Å; F20-R130 HydrophobicContact CZ-CB 4.2Å; F110-R130 HydrophobicContact CD2-CB 3.82Å; F110-R130 HydrophobicContact CD2-CG 4.12Å; F110-R130 VanDerWaalsContact CE1-CD 3.45Å; F110-R130 HydrophobicContact CE2-CB 3.26Å; F110-R130 VanDerWaalsContact CE2-CD 3.42Å; F110-R130 HydrophobicContact CE2-CG 3.96Å; F110-R130 HydrophobicContact CG-CG 4.47Å; F110-R130 HydrophobicContact CZ-CB 3.68Å; F110-R130 VanDerWaalsContact CZ-CD 3.47Å; F110-R130 HydrophobicContact CZ-CG 4.24Å; L126-R130 PolarHBondContact O-N 3.33Å; C127-R130 PolarHBondContact O-N 2.79Å; R130-P132 VanDerWaalsContact C-N 3.32Å; R130-A133 PolarHBondContact O-N 3.02Å; R130-R134 HydrophobicContact CG-CB 4.38Å; R130-R134 VanDerWaalsContact O-CB 3.31Å; R130-R134 WeakPolarHBondContact O-CB 3.31Å; R130-R134 PolarHBondContact O-N 3.14Å; R130-P364 HydrophobicContact CB-CB 4.25Å; R130-P364 HydrophobicContact CG-CB 3.87Å; R130-F365 VanDerWaalsContact CZ-CE1 3.47Å; R130-F365 VanDerWaalsContact CZ-CZ 3.41Å; R130-F365 VanDerWaalsContact NE-CZ 3.34Å
131N66.4Low73.6Confident21 Ų2143.4 Ų43.411%0.11219%0.187CC..Iπ-helixtrans-49.8-51.8176.1-83.8-7.2000111.2I135 L136 P364 N368N131-I135 CarbonylContact O-C 3.52Å; N131-I135 WeakPolarHBondContact O-CA 3.44Å; N131-I135 VanDerWaalsContact O-CB 3.22Å; N131-I135 WeakPolarHBondContact O-CB 3.45Å; N131-I135 PolarHBondContact O-N 2.98Å; N131-I135 WeakPolarHBondContact OD1-CD1 3.43Å; N131-L136 PolarHBondContact O-N 2.78Å; N131-P364 WeakPolarHBondContact OD1-CA 3.3Å; N131-P364 WeakPolarHBondContact OD1-CB 3.38Å; N131-N368 VanDerWaalsContact CG-OD1 3.27Å; N131-N368 PolarHBondContact ND2-OD1 3.11Å; N131-N368 PolarHBondContact OD1-OD1 3.29Å
132P63.7Low73.8Confident5 Ų541 Ų413%0.03219%0.185CC..Iπ-helixtrans-63.1-53.4171.96.9-13000115.5A65 L67 A83 K128 A129 R130 R134 L136 L137A65-P132 HydrophobicContact CB-CB 3.11Å; A65-P132 HydrophobicContact CB-CG 3.97Å; L67-P132 HydrophobicContact CD2-CB 4.43Å; L67-P132 HydrophobicContact CD2-CG 3.34Å; A83-P132 HydrophobicContact CB-CB 4.2Å; A83-P132 HydrophobicContact CB-CG 3.98Å; K128-P132 WeakPolarHBondContact O-CD 3.26Å; K128-P132 WeakPolarHBondContact O-CG 3.49Å; A129-P132 VanDerWaalsContact O-CD 3.28Å; A129-P132 WeakPolarHBondContact O-CD 3.39Å; A129-P132 VanDerWaalsContact O-CG 3.28Å; A129-P132 WeakPolarHBondContact O-CG 3.49Å; R130-P132 VanDerWaalsContact C-N 3.32Å; P132-R134 PolarHBondContact O-N 2.87Å; P132-R134 VanDerWaalsContact O-N 3.09Å; P132-L136 HydrophobicContact CB-CB 4.21Å; P132-L136 HydrophobicContact CB-CD1 3.55Å; P132-L136 HydrophobicContact CB-CG 4.11Å; P132-L136 HydrophobicContact CG-CD1 4.09Å; P132-L136 PolarHBondContact O-N 3.46Å; P132-L137 WeakPolarHBondContact O-CB 3.31Å; P132-L137 VanDerWaalsContact O-CG 3.26Å; P132-L137 WeakPolarHBondContact O-CG 3.46Å; P132-L137 PolarHBondContact O-N 2.95Å
133A58.2Low74.1Confident0 Ų042.2 Ų42.20%019%0.189CC..Iπ-helixtrans-57.9-30.9-175.300000113F20 Q23 N85 A129 R130F20-A133 HydrophobicContact CB-CB 4.19Å; F20-A133 HydrophobicContact CD1-CB 4.11Å; F20-A133 HydrophobicContact CD2-CB 3.4Å; F20-A133 HydrophobicContact CE1-CB 4.36Å; F20-A133 HydrophobicContact CE2-CB 3.71Å; F20-A133 HydrophobicContact CG-CB 3.63Å; F20-A133 HydrophobicContact CZ-CB 4.19Å; Q23-A133 PolarHBondContact OE1-O 3.18Å; N85-A133 HydrophobicContact CB-CB 4.12Å; N85-A133 WeakPolarHBondContact CB-O 3.32Å; N85-A133 PolarHBondContact ND2-O 3.16Å; A129-A133 WeakPolarHBondContact O-CB 3.48Å; A129-A133 PolarHBondContact O-N 2.89Å; R130-A133 PolarHBondContact O-N 3.02Å
134R69.5Low74.6Confident80 Ų8047.8 Ų47.830%0.30221%0.213SC..Iπ-helixtrans-107-59.6-178.2-171167.1-178.6-116.62.1113.6R130 P132 R138R130-R134 HydrophobicContact CG-CB 4.38Å; R130-R134 VanDerWaalsContact O-CB 3.31Å; R130-R134 WeakPolarHBondContact O-CB 3.31Å; R130-R134 PolarHBondContact O-N 3.14Å; P132-R134 PolarHBondContact O-N 2.87Å; P132-R134 VanDerWaalsContact O-N 3.09Å; R134-R138 WeakPolarHBondContact O-CB 3.27Å; R134-R138 PolarHBondContact O-N 3.26Å
135I66.3Low75.2Confident24 Ų2452.1 Ų52.112%0.12323%0.226CC..Iπ-helixtrans-82.8-51.2-172.4-65.5131.9000111.5N131 L137 R138 W139 N368N131-I135 CarbonylContact O-C 3.52Å; N131-I135 WeakPolarHBondContact O-CA 3.44Å; N131-I135 VanDerWaalsContact O-CB 3.22Å; N131-I135 WeakPolarHBondContact O-CB 3.45Å; N131-I135 PolarHBondContact O-N 2.98Å; N131-I135 WeakPolarHBondContact OD1-CD1 3.43Å; I135-L137 PolarHBondContact O-N 3.24Å; I135-R138 CarbonylContact O-C 3.51Å; I135-R138 PolarHBondContact O-N 2.94Å; I135-W139 VanDerWaalsContact O-CB 3.29Å; I135-W139 WeakPolarHBondContact O-CB 3.47Å; I135-W139 PolarHBondContact O-N 2.72Å; I135-N368 HydrophobicContact CB-CB 4.45Å; I135-N368 HydrophobicContact CD1-CB 3.73Å; I135-N368 HydrophobicContact CG1-CB 4.16Å; I135-N368 HydrophobicContact CG2-CB 3.92Å
136L68.2Low75.6Confident20 Ų2051.6 Ų51.611%0.10522%0.223CC..Iπ-helixtrans-65.5-43.2-178.5-54.6174.2000110.9A65 N131 P132 R138 W139 Y140 A160 P173A65-L136 HydrophobicContact CB-CD1 4.49Å; N131-L136 PolarHBondContact O-N 2.78Å; P132-L136 HydrophobicContact CB-CB 4.21Å; P132-L136 HydrophobicContact CB-CD1 3.55Å; P132-L136 HydrophobicContact CB-CG 4.11Å; P132-L136 HydrophobicContact CG-CD1 4.09Å; P132-L136 PolarHBondContact O-N 3.46Å; L136-R138 VanDerWaalsContact C-N 3.31Å; L136-R138 PolarHBondContact O-N 3.09Å; L136-W139 CarbonylContact O-C 3.33Å; L136-W139 PolarHBondContact O-N 2.83Å; L136-Y140 HydrophobicContact CB-CE1 4.45Å; L136-Y140 WeakPolarHBondContact O-CB 3.5Å; L136-Y140 WeakPolarHBondContact O-CD1 3.47Å; L136-Y140 PolarHBondContact O-N 3.49Å; L136-A160 HydrophobicContact CD1-CB 3.71Å; L136-A160 HydrophobicContact CD2-CB 3.84Å; L136-A160 HydrophobicContact CG-CB 4.46Å; L136-P173 HydrophobicContact CD2-CB 3.62Å; L136-P173 HydrophobicContact CD2-CG 3.08Å
137L71.4Confident75.8Confident3 Ų355.4 Ų55.42%0.01625%0.248CC..Hα-helixtrans-66.8-32175.8-69.8178.4000112.4E62 D63 N85 P132 I135 R141E62-L137 WeakPolarHBondContact O-CD2 3.33Å; D63-L137 VanDerWaalsContact O-CD1 3.31Å; D63-L137 WeakPolarHBondContact O-CD1 3.36Å; N85-L137 HydrophobicContact CB-CD1 3.45Å; N85-L137 VanDerWaalsContact CB-CD1 3.45Å; P132-L137 WeakPolarHBondContact O-CB 3.31Å; P132-L137 VanDerWaalsContact O-CG 3.26Å; P132-L137 WeakPolarHBondContact O-CG 3.46Å; P132-L137 PolarHBondContact O-N 2.95Å; I135-L137 PolarHBondContact O-N 3.24Å; L137-R141 WeakPolarHBondContact O-CD 3.13Å; L137-R141 WeakPolarHBondContact O-CG 2.76Å; L137-R141 PolarHBondContact O-N 3.23Å
138R76.4Confident76.1Confident164 Ų16464.1 Ų64.162%0.61928%0.279SS*.Hα-helixtrans-67.2-46169.7-179.6177.3-179.4-176.40.4110.6R134 I135 L136 R141 T142R134-R138 WeakPolarHBondContact O-CB 3.27Å; R134-R138 PolarHBondContact O-N 3.26Å; I135-R138 CarbonylContact O-C 3.51Å; I135-R138 PolarHBondContact O-N 2.94Å; L136-R138 VanDerWaalsContact C-N 3.31Å; L136-R138 PolarHBondContact O-N 3.09Å; R138-R141 WeakPolarHBondContact O-CB 3.28Å; R138-R141 PolarHBondContact O-N 3.45Å; R138-R141 VanDerWaalsContact O-N 3.09Å; R138-T142 HydrophobicContact CG-CG2 4.23Å; R138-T142 WeakPolarHBondContact O-CG2 3.28Å; R138-T142 PolarHBondContact O-N 3.4Å; R138-T142 PolarHBondContact O-OG1 2.88Å; R138-T142 VanDerWaalsContact O-OG1 3.05Å
139W79.5Confident76.7Confident15 Ų1560.5 Ų60.56%0.05727%0.268CS..Hα-helixtrans-60.8-45.2178.4-178.668.9000111.5I135 L136 R141 T142 F143 M155 A162 Y171 P173I135-W139 VanDerWaalsContact O-CB 3.29Å; I135-W139 WeakPolarHBondContact O-CB 3.47Å; I135-W139 PolarHBondContact O-N 2.72Å; L136-W139 CarbonylContact O-C 3.33Å; L136-W139 PolarHBondContact O-N 2.83Å; W139-R141 PolarHBondContact O-N 2.91Å; W139-R141 VanDerWaalsContact O-N 3.16Å; W139-T142 PolarHBondContact O-N 2.79Å; W139-F143 AromaticContact CD1-CG 3.9Å; W139-F143 HydrophobicContact CD2-CB 4.37Å; W139-F143 AromaticContact CE2-CD1 3.67Å; W139-F143 AromaticContact CE2-CG 3.84Å; W139-F143 HydrophobicContact CG-CB 4.16Å; W139-F143 AromaticContact CZ2-CD1 3.58Å; W139-F143 HydrophobicContact CZ2-CD1 3.58Å; W139-F143 AromaticContact CZ2-CE1 3.99Å; W139-F143 HydrophobicContact CZ2-CE1 3.99Å; W139-F143 HydrophobicContact CZ2-CG 4.24Å; W139-F143 AromaticContact NE1-CD1 3.49Å; W139-F143 AromaticContact NE1-CD2 3.71Å; W139-F143 AromaticContact NE1-CG 3.24Å; W139-F143 WeakPolarHBondContact O-CA 3.19Å; W139-F143 WeakPolarHBondContact O-CB 3.31Å; W139-F143 PolarHBondContact O-N 2.74Å; W139-M155 HydrophobicContact CE3-SD 4.44Å; W139-M155 HydrophobicContact CH2-SD 4.46Å; W139-M155 HydrophobicContact CZ3-SD 4.07Å; W139-A162 HydrophobicContact CH2-CB 3.53Å; W139-A162 HydrophobicContact CZ2-CB 4.21Å; W139-A162 HydrophobicContact CZ3-CB 4.2Å; W139-Y171 WeakPolarHBondContact CH2-O 3.37Å; W139-P173 HydrophobicContact CD2-CB 4.01Å; W139-P173 HydrophobicContact CD2-CG 4.06Å; W139-P173 HydrophobicContact CE3-CB 4.08Å; W139-P173 HydrophobicContact CE3-CG 3.62Å; W139-P173 HydrophobicContact CG-CB 4.27Å; W139-P173 HydrophobicContact CH2-CG 4.4Å; W139-P173 HydrophobicContact CZ3-CG 3.83Å
140Y76.9Confident77.4Confident33 Ų3364 Ų6413%0.12930%0.297CS..Hα-helixtrans-57.6-32.4175.2-7615.5000111.5L136 M155 K156L136-Y140 HydrophobicContact CB-CE1 4.45Å; L136-Y140 WeakPolarHBondContact O-CB 3.5Å; L136-Y140 WeakPolarHBondContact O-CD1 3.47Å; L136-Y140 PolarHBondContact O-N 3.49Å; Y140-M155 HydrophobicContact CD1-CB 4.41Å; Y140-M155 HydrophobicContact CD1-CE 4.46Å; Y140-M155 HydrophobicContact CD1-CG 4.02Å; Y140-M155 HydrophobicContact CD1-SD 3.4Å; Y140-M155 WeakPolarHBondContact CD1-SD 3.4Å; Y140-M155 HydrophobicContact CD2-CB 4.01Å; Y140-M155 HydrophobicContact CD2-CG 4.09Å; Y140-M155 HydrophobicContact CE1-CB 4.47Å; Y140-M155 HydrophobicContact CE1-SD 3.87Å; Y140-M155 HydrophobicContact CE2-CB 4.01Å; Y140-M155 HydrophobicContact CG-CB 4.2Å; Y140-M155 HydrophobicContact CG-CG 3.81Å; Y140-M155 HydrophobicContact CG-SD 3.79Å; Y140-K156 PolarHBondContact OH-O 2.78Å
141R76.8Confident78.4Confident138 Ų13863.7 Ų63.752%0.52130%0.297SS..Hα-helixtrans-83.2-37.4177.9-69169.876162.12.3114R87 L137 R138 W139 K144R87-R141 VanDerWaalsContact CZ-NH1 3.34Å; L137-R141 WeakPolarHBondContact O-CD 3.13Å; L137-R141 WeakPolarHBondContact O-CG 2.76Å; L137-R141 PolarHBondContact O-N 3.23Å; R138-R141 WeakPolarHBondContact O-CB 3.28Å; R138-R141 PolarHBondContact O-N 3.45Å; R138-R141 VanDerWaalsContact O-N 3.09Å; W139-R141 PolarHBondContact O-N 2.91Å; W139-R141 VanDerWaalsContact O-N 3.16Å; R141-K144 WeakPolarHBondContact O-CE 3.22Å; R141-K144 VanDerWaalsContact O-CG 3.3Å; R141-K144 WeakPolarHBondContact O-CG 3.29Å
142T82.5Confident79.6Confident100 Ų10065.8 Ų65.861%0.61331%0.312SS*.Hα-helixtrans-91.4-32-173.755.70000112R138 W139 K144R138-T142 HydrophobicContact CG-CG2 4.23Å; R138-T142 WeakPolarHBondContact O-CG2 3.28Å; R138-T142 PolarHBondContact O-N 3.4Å; R138-T142 PolarHBondContact O-OG1 2.88Å; R138-T142 VanDerWaalsContact O-OG1 3.05Å; W139-T142 PolarHBondContact O-N 2.79Å; T142-K144 PolarHBondContact O-N 3.2Å
143F85.6Confident81Confident59 Ų5966.5 Ų66.526%0.25932%0.316SS..  trans-95.559.9-174.9-154-102.3000111.1W139 P147 L153 M155 Y171W139-F143 AromaticContact CD1-CG 3.9Å; W139-F143 HydrophobicContact CD2-CB 4.37Å; W139-F143 AromaticContact CE2-CD1 3.67Å; W139-F143 AromaticContact CE2-CG 3.84Å; W139-F143 HydrophobicContact CG-CB 4.16Å; W139-F143 AromaticContact CZ2-CD1 3.58Å; W139-F143 HydrophobicContact CZ2-CD1 3.58Å; W139-F143 AromaticContact CZ2-CE1 3.99Å; W139-F143 HydrophobicContact CZ2-CE1 3.99Å; W139-F143 HydrophobicContact CZ2-CG 4.24Å; W139-F143 AromaticContact NE1-CD1 3.49Å; W139-F143 AromaticContact NE1-CD2 3.71Å; W139-F143 AromaticContact NE1-CG 3.24Å; W139-F143 WeakPolarHBondContact O-CA 3.19Å; W139-F143 WeakPolarHBondContact O-CB 3.31Å; W139-F143 PolarHBondContact O-N 2.74Å; F143-P147 HydrophobicContact CE1-CG 4.2Å; F143-P147 HydrophobicContact CE2-CG 3.95Å; F143-P147 HydrophobicContact CZ-CG 3.4Å; F143-L153 HydrophobicContact CD1-CD1 3.4Å; F143-L153 VanDerWaalsContact CD1-CD1 3.4Å; F143-L153 HydrophobicContact CE1-CD1 3.55Å; F143-L153 HydrophobicContact CG-CD1 4.48Å; F143-L153 WeakPolarHBondContact O-CD1 3.06Å; F143-M155 WeakPolarHBondContact O-CE 3.24Å; F143-Y171 HydrophobicContact CE1-CD1 4.16Å; F143-Y171 HydrophobicContact CE1-CD2 4.46Å; F143-Y171 AromaticContact CE1-CG 3.89Å; F143-Y171 HydrophobicContact CE1-CG 3.89Å; F143-Y171 HydrophobicContact CZ-CD1 4.27Å; F143-Y171 HydrophobicContact CZ-CG 4.45Å
144K87Confident82.5Confident121 Ų12172.5 Ų72.553%0.52634%0.342SS..  trans-82.6-23.1-172.7-61.4-170.8-178.7-173.90114.5R141 T142 L153R141-K144 WeakPolarHBondContact O-CE 3.22Å; R141-K144 VanDerWaalsContact O-CG 3.3Å; R141-K144 WeakPolarHBondContact O-CG 3.29Å; T142-K144 PolarHBondContact O-N 3.2Å; K144-L153 PolarHBondContact O-N 2.87Å
145Y90.2Very high83.3Confident152 Ų15270.6 Ų70.660%0.59634%0.337SS*.BIsolated β-bridgetrans-122.7147.4-172-57.5-71.6000110.9P147 A150 P152Y145-P147 WeakPolarHBondContact O-CD 3.17Å; Y145-A150 WeakPolarHBondContact CD1-O 3.49Å; Y145-P152 HydrophobicContact CE1-CG 4.49Å
146C86.7Confident84.2Confident3 Ų371.5 Ų71.52%0.0234%0.34CS..  trans-68.4121.7179.9179.90000110.6R148 C149 A150 A151 L153 C164 C167 Y171C146-R148 PolarHBondContact O-N 3.45Å; C146-R148 VanDerWaalsContact O-N 3.15Å; C146-R148 PolarHBondContact SG-N 3.13Å; C146-C149 PolarHBondContact O-N 3.26Å; C146-A150 WeakPolarHBondContact O-CA 3.36Å; C146-A150 PolarHBondContact O-N 2.88Å; C146-A151 WeakPolarHBondContact CB-O 3.41Å; C146-A151 PolarHBondContact N-O 3.05Å; C146-L153 HydrophobicContact CB-CD2 3.8Å; C146-L153 HydrophobicContact CB-CG 4.42Å; C146-C164 HydrophobicContact CB-CB 4.18Å; C146-C167 VanDerWaalsContact SG-SG 3.65Å; C146-Y171 HydrophobicContact CB-CE2 4.48Å; C146-Y171 PolarHBondContact SG-OH 2.86Å
147P84.3Confident84.8Confident80 Ų8072 Ų7252%0.51934%0.342SS..THydrogen-bonded Turntrans-59.8-24.8175.3-23.131.5000113.9F143 Y145 Y171F143-P147 HydrophobicContact CE1-CG 4.2Å; F143-P147 HydrophobicContact CE2-CG 3.95Å; F143-P147 HydrophobicContact CZ-CG 3.4Å; Y145-P147 WeakPolarHBondContact O-CD 3.17Å; P147-Y171 HydrophobicContact CG-CE1 4.07Å
148R82.8Confident85.3Confident195 Ų19572.1 Ų72.174%0.73634%0.344SS*.THydrogen-bonded Turntrans-82.7-39.2-178.3-177.8-178.2-71.1-98.9-0.4113.7C146 Y171C146-R148 PolarHBondContact O-N 3.45Å; C146-R148 VanDerWaalsContact O-N 3.15Å; C146-R148 PolarHBondContact SG-N 3.13Å; R148-Y171 WeakPolarHBondContact CB-OH 3.48Å
149C90Very high85.5Confident43 Ų4367.7 Ų67.729%0.29133%0.329SS..THydrogen-bonded Turntrans-135.78.1-171.766.70000114.8C146 A151C146-C149 PolarHBondContact O-N 3.26Å; C149-A151 PolarHBondContact O-N 3.48Å
150A91.1Very high85.6Confident74 Ų7468.9 Ų68.961%0.61234%0.342SS*.  trans59.9-3.3-176.900000116.5Y145 C146Y145-A150 WeakPolarHBondContact CD1-O 3.49Å; C146-A150 WeakPolarHBondContact O-CA 3.36Å; C146-A150 PolarHBondContact O-N 2.88Å
151A92.1Very high86Confident7 Ų767.3 Ų67.36%0.05834%0.336CS..PPolyproline II helixtrans-65.9150.8177.700000112.4C146 C149 I165 Q166C146-A151 WeakPolarHBondContact CB-O 3.41Å; C146-A151 PolarHBondContact N-O 3.05Å; C149-A151 PolarHBondContact O-N 3.48Å; A151-I165 HydrophobicContact CB-CG1 4.46Å; A151-Q166 HydrophobicContact CB-CB 3.64Å
152P93.5Very high86.6Confident65 Ų6560.7 Ų60.742%0.42231%0.311SS..BIsolated β-bridgetrans-56.3144.4178.1-24.732.5000113.8Y145 I165Y145-P152 HydrophobicContact CE1-CG 4.49Å; P152-I165 HydrophobicContact CB-CD1 4.09Å; P152-I165 HydrophobicContact CG-CD1 4.12Å; P152-I165 WeakPolarHBondContact O-CG1 3.44Å; P152-I165 PolarHBondContact O-N 2.8Å
153L91.6Very high87Confident20 Ų2057.1 Ų57.111%0.10529%0.29CS..EExtended strand (participates in β ladder)trans-96.7135.8175-65.1-179.4000111F143 K144 C146 M155 A162 C164 Y171F143-L153 HydrophobicContact CD1-CD1 3.4Å; F143-L153 VanDerWaalsContact CD1-CD1 3.4Å; F143-L153 HydrophobicContact CE1-CD1 3.55Å; F143-L153 HydrophobicContact CG-CD1 4.48Å; F143-L153 WeakPolarHBondContact O-CD1 3.06Å; K144-L153 PolarHBondContact O-N 2.87Å; C146-L153 HydrophobicContact CB-CD2 3.8Å; C146-L153 HydrophobicContact CB-CG 4.42Å; L153-M155 HydrophobicContact CB-CE 4.43Å; L153-A162 HydrophobicContact CB-CB 4.18Å; L153-A162 HydrophobicContact CD1-CB 4.22Å; L153-C164 HydrophobicContact CD2-CB 3.68Å; L153-Y171 HydrophobicContact CD1-CD2 4.17Å; L153-Y171 HydrophobicContact CD2-CD2 3.82Å; L153-Y171 HydrophobicContact CD2-CE2 3.95Å
154K89.5Confident87.3Confident126 Ų12654.4 Ų54.455%0.54828%0.278SS..EExtended strand (participates in β ladder)trans-91.3113.3167.3-176.1-179.6179.7-177.80108.8A162 S163 I165K154-A162 CarbonylContact O-C 3.57Å; K154-A162 WeakPolarHBondContact O-CA 3.15Å; K154-S163 PolarHBondContact N-O 3.26Å; K154-S163 PolarHBondContact O-N 3.3Å; K154-S163 PolarHBondContact O-OG 2.73Å; K154-I165 HydrophobicContact CB-CG2 4.32Å
155M86.9Confident87.6Confident41 Ų4153 Ų5320%0.20228%0.276CS..EExtended strand (participates in β ladder)trans-69.7132.4173.1-61.1-62.8164.300109.7W139 Y140 F143 L153 A162W139-M155 HydrophobicContact CE3-SD 4.44Å; W139-M155 HydrophobicContact CH2-SD 4.46Å; W139-M155 HydrophobicContact CZ3-SD 4.07Å; Y140-M155 HydrophobicContact CD1-CB 4.41Å; Y140-M155 HydrophobicContact CD1-CE 4.46Å; Y140-M155 HydrophobicContact CD1-CG 4.02Å; Y140-M155 HydrophobicContact CD1-SD 3.4Å; Y140-M155 WeakPolarHBondContact CD1-SD 3.4Å; Y140-M155 HydrophobicContact CD2-CB 4.01Å; Y140-M155 HydrophobicContact CD2-CG 4.09Å; Y140-M155 HydrophobicContact CE1-CB 4.47Å; Y140-M155 HydrophobicContact CE1-SD 3.87Å; Y140-M155 HydrophobicContact CE2-CB 4.01Å; Y140-M155 HydrophobicContact CG-CB 4.2Å; Y140-M155 HydrophobicContact CG-CG 3.81Å; Y140-M155 HydrophobicContact CG-SD 3.79Å; F143-M155 WeakPolarHBondContact O-CE 3.24Å; L153-M155 HydrophobicContact CB-CE 4.43Å; M155-A162 HydrophobicContact CE-CB 4.07Å; M155-A162 HydrophobicContact SD-CB 3.55Å; M155-A162 VanDerWaalsContact SD-CB 3.55Å
156K84.7Confident87.7Confident43 Ų4352.3 Ų52.319%0.18728%0.278CS..  trans-86141.8173.8-64.8-167.7176.9178.60109.8Y140 K159 S161 E170Y140-K156 PolarHBondContact OH-O 2.78Å; K156-K159 HydrophobicContact CB-CG 4.35Å; K156-K159 HydrophobicContact CD-CG 4.27Å; K156-K159 VanDerWaalsContact O-O 3.12Å; K156-S161 WeakPolarHBondContact CD-OG 3.31Å; K156-S161 PolarHBondContact N-O 2.99Å; K156-E170 IonicContact NZ-OE1 2.66Å; K156-E170 PolarHBondContact NZ-OE1 3.35Å
157I81.3Confident87.9Confident29 Ų2954.4 Ų54.415%0.14929%0.292CS..SBendtrans-89.5-36.5178.3-63.5162000109.7D5 V8 E9 V61 K159D5-I157 PolarHBondContact OD1-N 2.89Å; D5-I157 VanDerWaalsContact OD1-N 3.07Å; V8-I157 HydrophobicContact CB-CG2 4.18Å; V8-I157 HydrophobicContact CG1-CG2 3.68Å; E9-I157 HydrophobicContact CG-CD1 3.98Å; E9-I157 VanDerWaalsContact OE1-CD1 3.31Å; E9-I157 WeakPolarHBondContact OE1-CD1 3.22Å; V61-I157 HydrophobicContact CB-CD1 4.37Å; V61-I157 HydrophobicContact CG1-CB 4.43Å; V61-I157 HydrophobicContact CG1-CD1 3.78Å; V61-I157 HydrophobicContact CG1-CG1 4.17Å; V61-I157 HydrophobicContact CG1-CG2 3.43Å; V61-I157 VanDerWaalsContact CG1-CG2 3.43Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 2.81Å
158S81.3Confident88.2Confident7 Ų757.8 Ų57.85%0.04930%0.298CS..SBendtrans-70.3-23.9-176.1560000114.9D5D5-S158 WeakPolarHBondContact OD1-CB 3.44Å; D5-S158 PolarHBondContact OD1-N 2.98Å; D5-S158 PolarHBondContact OD1-OG 3.33Å
159K81.9Confident88.5Confident70 Ų7050 Ų5030%0.30427%0.274SS..SBendtrans-149.9154.2177.159.3166.5-176.5167.10110.7K156 I157 S161 E170 Y172K156-K159 HydrophobicContact CB-CG 4.35Å; K156-K159 HydrophobicContact CD-CG 4.27Å; K156-K159 VanDerWaalsContact O-O 3.12Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 2.81Å; K159-S161 WeakPolarHBondContact CE-OG 3.49Å; K159-S161 WeakPolarHBondContact CG-OG 3.33Å; K159-S161 PolarHBondContact O-N 2.93Å; K159-E170 IonicContact NZ-OE1 2.82Å; K159-E170 PolarHBondContact NZ-OE1 3.48Å; K159-E170 IonicContact NZ-OE2 2.68Å; K159-E170 PolarHBondContact NZ-OE2 2.89Å; K159-Y172 PolarHBondContact NZ-OH 3.49Å
160A80.5Confident88.5Confident40 Ų4051.9 Ų51.933%0.33128%0.278SS..SBendtrans-69.776.3175.800000111.3L136 Y172 P173L136-A160 HydrophobicContact CD1-CB 3.71Å; L136-A160 HydrophobicContact CD2-CB 3.84Å; L136-A160 HydrophobicContact CG-CB 4.46Å; A160-Y172 WeakPolarHBondContact O-CD1 3.34Å; A160-P173 HydrophobicContact CB-CG 4.13Å; A160-P173 WeakPolarHBondContact O-CD 3.34Å
161S86.7Confident88.4Confident0 Ų050.3 Ų50.30%026%0.257CS..  trans-158163.8-179.570.50000111.2K156 K159 Y171K156-S161 WeakPolarHBondContact CD-OG 3.31Å; K156-S161 PolarHBondContact N-O 2.99Å; K159-S161 WeakPolarHBondContact CE-OG 3.49Å; K159-S161 WeakPolarHBondContact CG-OG 3.33Å; K159-S161 PolarHBondContact O-N 2.93Å; S161-Y171 CarbonylContact C-O 3.43Å; S161-Y171 WeakPolarHBondContact CA-O 3.38Å; S161-Y171 WeakPolarHBondContact CB-O 3.4Å
162A88.3Confident88.2Confident0 Ų056.1 Ų56.10%028%0.278CS..EExtended strand (participates in β ladder)trans-129.1143174.900000109.4W139 L153 K154 M155 E170 Y171W139-A162 HydrophobicContact CH2-CB 3.53Å; W139-A162 HydrophobicContact CZ2-CB 4.21Å; W139-A162 HydrophobicContact CZ3-CB 4.2Å; L153-A162 HydrophobicContact CB-CB 4.18Å; L153-A162 HydrophobicContact CD1-CB 4.22Å; K154-A162 CarbonylContact O-C 3.57Å; K154-A162 WeakPolarHBondContact O-CA 3.15Å; M155-A162 HydrophobicContact CE-CB 4.07Å; M155-A162 HydrophobicContact SD-CB 3.55Å; M155-A162 VanDerWaalsContact SD-CB 3.55Å; A162-E170 CarbonylContact O-C 3.57Å; A162-E170 WeakPolarHBondContact O-CA 3.21Å; A162-Y171 PolarHBondContact N-O 3.31Å; A162-Y171 PolarHBondContact O-N 2.64Å
163S91.6Very high87.6Confident25 Ų2553.9 Ų53.918%0.17526%0.263CS..EExtended strand (participates in β ladder)trans-117.3132.5175.756.10000110.7K154 S169K154-S163 PolarHBondContact N-O 3.26Å; K154-S163 PolarHBondContact O-N 3.3Å; K154-S163 PolarHBondContact O-OG 2.73Å; S163-S169 WeakPolarHBondContact CA-O 3.41Å
164C91.7Very high87Confident1 Ų156.9 Ų56.91%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-69.8133.4174.7-177.70000111.4C146 L153 Q166 C167 K168 S169C146-C164 HydrophobicContact CB-CB 4.18Å; L153-C164 HydrophobicContact CD2-CB 3.68Å; C164-Q166 VanDerWaalsContact C-N 3.28Å; C164-Q166 PolarHBondContact O-N 3.38Å; C164-Q166 PolarHBondContact SG-N 3.23Å; C164-C167 VanDerWaalsContact CB-SG 3.51Å; C164-C167 PolarHBondContact SG-N 3.03Å; C164-C167 PolarHBondContact SG-SG 2.96Å; C164-K168 VanDerWaalsContact O-CA 3.31Å; C164-K168 WeakPolarHBondContact O-CA 3.41Å; C164-K168 PolarHBondContact O-N 2.88Å; C164-S169 PolarHBondContact N-O 2.96Å
165I93Very high86.7Confident93 Ų9354.7 Ų54.748%0.47728%0.281SS..THydrogen-bonded Turntrans-67.5-30.9179.566.4178.8000112.5A151 P152 K154 K168A151-I165 HydrophobicContact CB-CG1 4.46Å; P152-I165 HydrophobicContact CB-CD1 4.09Å; P152-I165 HydrophobicContact CG-CD1 4.12Å; P152-I165 WeakPolarHBondContact O-CG1 3.44Å; P152-I165 PolarHBondContact O-N 2.8Å; K154-I165 HydrophobicContact CB-CG2 4.32Å; I165-K168 PolarHBondContact O-NZ 3.34Å
166Q92.5Very high86.6Confident137 Ų13754.7 Ų54.764%0.6429%0.285SS*.THydrogen-bonded Turntrans-92.7-66.3-175.1-174.2172.5-40.500111.8A151 C164 K168A151-Q166 HydrophobicContact CB-CB 3.64Å; C164-Q166 VanDerWaalsContact C-N 3.28Å; C164-Q166 PolarHBondContact O-N 3.38Å; C164-Q166 PolarHBondContact SG-N 3.23Å; Q166-K168 VanDerWaalsContact C-N 3.33Å; Q166-K168 PolarHBondContact O-N 3.39Å
167C91.5Very high86.9Confident47 Ų4755.2 Ų55.232%0.31829%0.293SS..THydrogen-bonded Turntrans-85-2.1-174.771.50000114.6C146 C164 S169C146-C167 VanDerWaalsContact SG-SG 3.65Å; C164-C167 VanDerWaalsContact CB-SG 3.51Å; C164-C167 PolarHBondContact SG-N 3.03Å; C164-C167 PolarHBondContact SG-SG 2.96Å; C167-S169 PolarHBondContact O-N 3.32Å; C167-S169 PolarHBondContact SG-OG 2.93Å
168K89.9Confident87.4Confident150 Ų15054 Ų5465%0.65229%0.287SS*.  trans58.56-178.3-53.2-54.6-173.1-162.50116.1C164 I165 Q166 E170C164-K168 VanDerWaalsContact O-CA 3.31Å; C164-K168 WeakPolarHBondContact O-CA 3.41Å; C164-K168 PolarHBondContact O-N 2.88Å; I165-K168 PolarHBondContact O-NZ 3.34Å; Q166-K168 VanDerWaalsContact C-N 3.33Å; Q166-K168 PolarHBondContact O-N 3.39Å; K168-E170 PolarHBondContact O-N 3.1Å
169S89.3Confident88Confident33 Ų3353.7 Ų53.723%0.23129%0.285CS..  trans-59136.8173.7-55.90000110.9S163 C164 C167S163-S169 WeakPolarHBondContact CA-O 3.41Å; C164-S169 PolarHBondContact N-O 2.96Å; C167-S169 PolarHBondContact O-N 3.32Å; C167-S169 PolarHBondContact SG-OG 2.93Å
170E90.1Very high88.7Confident81 Ų8150.6 Ų50.638%0.37927%0.272SS..EExtended strand (participates in β ladder)trans-95.7138.8173-65.5-158.7150.400110.5K156 K159 A162 K168 Y172K156-E170 IonicContact NZ-OE1 2.66Å; K156-E170 PolarHBondContact NZ-OE1 3.35Å; K159-E170 IonicContact NZ-OE1 2.82Å; K159-E170 PolarHBondContact NZ-OE1 3.48Å; K159-E170 IonicContact NZ-OE2 2.68Å; K159-E170 PolarHBondContact NZ-OE2 2.89Å; A162-E170 CarbonylContact O-C 3.57Å; A162-E170 WeakPolarHBondContact O-CA 3.21Å; K168-E170 PolarHBondContact O-N 3.1Å; E170-Y172 HydrophobicContact CB-CE2 4.37Å; E170-Y172 PolarHBondContact OE2-OH 3.1Å
171Y88.2Confident89.5Confident41 Ų4148.8 Ų48.816%0.16126%0.257CS..EExtended strand (participates in β ladder)trans-123.3145.8177.6-63.9-80.5000109.9W139 F143 C146 P147 R148 L153 S161 A162W139-Y171 WeakPolarHBondContact CH2-O 3.37Å; F143-Y171 HydrophobicContact CE1-CD1 4.16Å; F143-Y171 HydrophobicContact CE1-CD2 4.46Å; F143-Y171 AromaticContact CE1-CG 3.89Å; F143-Y171 HydrophobicContact CE1-CG 3.89Å; F143-Y171 HydrophobicContact CZ-CD1 4.27Å; F143-Y171 HydrophobicContact CZ-CG 4.45Å; C146-Y171 HydrophobicContact CB-CE2 4.48Å; C146-Y171 PolarHBondContact SG-OH 2.86Å; P147-Y171 HydrophobicContact CG-CE1 4.07Å; R148-Y171 WeakPolarHBondContact CB-OH 3.48Å; L153-Y171 HydrophobicContact CD1-CD2 4.17Å; L153-Y171 HydrophobicContact CD2-CD2 3.82Å; L153-Y171 HydrophobicContact CD2-CE2 3.95Å; S161-Y171 CarbonylContact C-O 3.43Å; S161-Y171 WeakPolarHBondContact CA-O 3.38Å; S161-Y171 WeakPolarHBondContact CB-O 3.4Å; A162-Y171 PolarHBondContact N-O 3.31Å; A162-Y171 PolarHBondContact O-N 2.64Å
172Y87.3Confident90.1Very high130 Ų13048.8 Ų48.851%0.5126%0.257SS..  trans-118.2151.5177.3-65.2-88.9000109.6K159 A160 E170K159-Y172 PolarHBondContact NZ-OH 3.49Å; A160-Y172 WeakPolarHBondContact O-CD1 3.34Å; E170-Y172 HydrophobicContact CB-CE2 4.37Å; E170-Y172 PolarHBondContact OE2-OH 3.1Å
173P81.9Confident90.5Very high17 Ų1748.8 Ų48.811%0.1126%0.257CS..  trans-56.6138.9172-13.420.2000110.5L136 W139 A160L136-P173 HydrophobicContact CD2-CB 3.62Å; L136-P173 HydrophobicContact CD2-CG 3.08Å; W139-P173 HydrophobicContact CD2-CB 4.01Å; W139-P173 HydrophobicContact CD2-CG 4.06Å; W139-P173 HydrophobicContact CE3-CB 4.08Å; W139-P173 HydrophobicContact CE3-CG 3.62Å; W139-P173 HydrophobicContact CG-CB 4.27Å; W139-P173 HydrophobicContact CH2-CG 4.4Å; W139-P173 HydrophobicContact CZ3-CG 3.83Å; A160-P173 HydrophobicContact CB-CG 4.13Å; A160-P173 WeakPolarHBondContact O-CD 3.34Å
174P79.8Confident90.7Very high84 Ų8447.8 Ų47.855%0.54525%0.249SC..  trans-65.1146.9178.627.4-34.1000111.1N368P174-N368 PolarHBondContact O-ND2 3.29Å
175V82Confident90.8Very high80 Ų8047.9 Ų47.949%0.48525%0.25SC..  trans-124.8128172.5175.80000107.4N368 L370V175-N368 VanDerWaalsContact CA-O 3.3Å; V175-N368 WeakPolarHBondContact CA-O 3.48Å; V175-L370 HydrophobicContact CG1-CB 3.58Å
176S86Confident90.7Very high40 Ų4046 Ų4628%0.2825%0.245SC..EExtended strand (participates in β ladder)trans-92.6118.6178.6-64.50000110.3N368 S369 L370S176-N368 PolarHBondContact N-O 3.12Å; S176-S369 CarbonylContact O-C 3.48Å; S176-S369 WeakPolarHBondContact O-CA 3.27Å; S176-S369 WeakPolarHBondContact O-CB 3.22Å; S176-L370 PolarHBondContact O-N 3.35Å
177P89.6Confident90.6Very high54 Ų5443 Ų4335%0.35124%0.236SC..EExtended strand (participates in β ladder)trans-62.6140.9174.617.1-20.1000111.1N211 L335P177-N211 HydrophobicContact CB-CB 3.91Å; P177-N211 HydrophobicContact CG-CB 3.93Å; P177-N211 PolarHBondContact O-N 3.45Å; P177-L335 HydrophobicContact CB-CD2 4.08Å
178A92.4Very high90.7Very high3 Ų345.3 Ų45.33%0.02524%0.238CC..EExtended strand (participates in β ladder)trans-144.7138177.100000110.2G209 F210 L370 M371 C372A178-G209 CarbonylContact C-O 3.6Å; A178-G209 WeakPolarHBondContact CA-O 3.41Å; A178-G209 VanDerWaalsContact CB-O 3.28Å; A178-G209 WeakPolarHBondContact CB-O 3.46Å; A178-F210 HydrophobicContact CB-CD1 4.18Å; A178-F210 HydrophobicContact CB-CE1 4.49Å; A178-L370 PolarHBondContact N-O 2.84Å; A178-L370 VanDerWaalsContact O-O 3.06Å; A178-M371 HydrophobicContact CB-SD 3.68Å; A178-M371 CarbonylContact O-C 3.52Å; A178-M371 WeakPolarHBondContact O-CA 3.17Å; A178-C372 PolarHBondContact O-N 3Å
179A94.3Very high90.9Very high1 Ų143 Ų431%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-90.7144.9172.500000110A208 G209 T338 A339 F374A179-A208 WeakPolarHBondContact O-CA 3.32Å; A179-G209 PolarHBondContact N-O 3.23Å; A179-G209 PolarHBondContact O-N 3.26Å; A179-T338 HydrophobicContact CB-CG2 3.83Å; A179-A339 HydrophobicContact CB-CB 3.96Å; A179-F374 HydrophobicContact CB-CD2 4.24Å; A179-F374 HydrophobicContact CB-CE2 4.17Å
180I96.6Very high91.2Very high6 Ų643.8 Ų43.83%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-129128.9166.8-176.5168.7000109.5A206 I207 A208 M371 C372 A373 F374 I430 A431 M434I180-A206 HydrophobicContact CD1-CB 3.98Å; I180-A206 HydrophobicContact CG1-CB 3.75Å; I180-I207 CarbonylContact C-O 3.56Å; I180-I207 VanDerWaalsContact CA-O 3.3Å; I180-I207 WeakPolarHBondContact CA-O 3.15Å; I180-I207 WeakPolarHBondContact CG1-O 3.2Å; I180-A208 HydrophobicContact CB-CB 4.03Å; I180-A208 HydrophobicContact CD1-CB 4.4Å; I180-A208 HydrophobicContact CG1-CB 4.01Å; I180-M371 HydrophobicContact CB-CE 3.59Å; I180-M371 HydrophobicContact CD1-CE 4.01Å; I180-M371 HydrophobicContact CG1-CE 4.25Å; I180-M371 HydrophobicContact CG2-CB 4.19Å; I180-M371 HydrophobicContact CG2-CE 4.06Å; I180-C372 PolarHBondContact N-O 3.49Å; I180-A373 HydrophobicContact CG2-CB 4.01Å; I180-A373 CarbonylContact O-C 3.47Å; I180-A373 WeakPolarHBondContact O-CA 3.47Å; I180-F374 PolarHBondContact O-N 2.93Å; I180-I430 HydrophobicContact CD1-CG2 4.06Å; I180-I430 HydrophobicContact CG2-CD1 4.23Å; I180-I430 HydrophobicContact CG2-CG2 4.28Å; I180-A431 HydrophobicContact CD1-CB 3.94Å; I180-M434 HydrophobicContact CB-SD 4.33Å; I180-M434 HydrophobicContact CD1-SD 3.98Å; I180-M434 HydrophobicContact CG1-CE 4.19Å; I180-M434 HydrophobicContact CG1-SD 3.83Å; I180-M434 HydrophobicContact CG2-CE 4.24Å; I180-M434 HydrophobicContact CG2-SD 3.69Å; I180-M434 VanDerWaalsContact O-CE 3.29Å; I180-M434 WeakPolarHBondContact O-CE 2.87Å
181V97.6Very high91.5Very high1 Ų139.9 Ų39.91%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-127127.2-168.1-163.50000110.4V183 A206 I207 A339 V343 L354 F374V181-V183 HydrophobicContact CG1-CG2 3.98Å; V181-A206 WeakPolarHBondContact O-CB 3.3Å; V181-I207 PolarHBondContact N-O 3.5Å; V181-I207 PolarHBondContact O-N 2.96Å; V181-I207 VanDerWaalsContact O-N 3.1Å; V181-A339 HydrophobicContact CG2-CB 3.43Å; V181-A339 VanDerWaalsContact CG2-CB 3.43Å; V181-V343 HydrophobicContact CB-CG2 3.92Å; V181-V343 HydrophobicContact CG1-CG2 3.99Å; V181-V343 HydrophobicContact CG2-CG2 4.2Å; V181-L354 HydrophobicContact CG1-CD1 4.03Å; V181-F374 WeakPolarHBondContact CA-O 3.34Å; V181-F374 HydrophobicContact CG1-CB 4.36Å; V181-F374 HydrophobicContact CG2-CB 4.39Å
182L97.5Very high91.8Very high0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-99.4111.7166.8-166.771.3000108.2V191 L193 A206 F374 F375 G376 M434 I435 W438L182-V191 HydrophobicContact CD1-CG2 3.41Å; L182-V191 VanDerWaalsContact CD1-CG2 3.41Å; L182-V191 HydrophobicContact CD2-CG2 3.98Å; L182-V191 HydrophobicContact CG-CG2 3.41Å; L182-V191 VanDerWaalsContact CG-CG2 3.41Å; L182-L193 HydrophobicContact CD1-CD2 3.68Å; L182-A206 HydrophobicContact CD1-CB 4.16Å; L182-F374 PolarHBondContact N-O 2.92Å; L182-F375 HydrophobicContact CB-CD1 3.88Å; L182-F375 HydrophobicContact CB-CE1 4.1Å; L182-F375 HydrophobicContact CD2-CD1 4.38Å; L182-F375 HydrophobicContact CD2-CE1 3.92Å; L182-G376 PolarHBondContact O-N 3.4Å; L182-M434 HydrophobicContact CB-CE 3.94Å; L182-I435 HydrophobicContact CD1-CG1 4.11Å; L182-I435 HydrophobicContact CD2-CG1 4.37Å; L182-W438 HydrophobicContact CD2-CB 3.65Å; L182-W438 HydrophobicContact CD2-CD2 4.37Å; L182-W438 HydrophobicContact CD2-CG 4Å
183V96.9Very high92.3Very high0 Ų031.8 Ų31.80%018%0.181CC..EExtended strand (participates in β ladder)trans-94.8126.7-174-177.30000110V181 V191 V192 I207 V343 L349 G376 V378V181-V183 HydrophobicContact CG1-CG2 3.98Å; V183-V191 CarbonylContact O-C 3.4Å; V183-V191 WeakPolarHBondContact O-CA 3.36Å; V183-V191 VanDerWaalsContact O-CG2 3.31Å; V183-V191 WeakPolarHBondContact O-CG2 3.42Å; V183-V192 HydrophobicContact CB-CB 4.23Å; V183-V192 HydrophobicContact CB-CG2 4.26Å; V183-V192 HydrophobicContact CG1-CG2 4.29Å; V183-V192 PolarHBondContact O-N 3.27Å; V183-I207 HydrophobicContact CG2-CD1 3.94Å; V183-V343 HydrophobicContact CG2-CB 4.31Å; V183-V343 HydrophobicContact CG2-CG1 3.7Å; V183-V343 HydrophobicContact CG2-CG2 3.52Å; V183-L349 HydrophobicContact CG1-CD1 3.97Å; V183-G376 CarbonylContact C-O 3.31Å; V183-G376 WeakPolarHBondContact CA-O 3.5Å; V183-V378 HydrophobicContact CG1-CG1 3.81Å
184M95.8Very high92.9Very high5 Ų531 Ų313%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-118157.2-177.4-56.6168.5-70.400111.2R188 N190 F375 G376 Q377 V378 W438M184-R188 HydrophobicContact SD-CB 4.3Å; M184-R188 HydrophobicContact SD-CG 4.19Å; M184-N190 VanDerWaalsContact CA-O 3.31Å; M184-N190 WeakPolarHBondContact CA-O 3.4Å; M184-F375 HydrophobicContact CE-CB 3.76Å; M184-F375 HydrophobicContact CE-CG 4.2Å; M184-G376 PolarHBondContact N-O 3.29Å; M184-Q377 WeakPolarHBondContact O-CA 3.37Å; M184-V378 PolarHBondContact O-N 2.96Å; M184-W438 HydrophobicContact SD-CG 4.23Å; M184-W438 PolarHBondContact SD-NE1 2.86Å
185D93.9Very high93.5Very high3 Ų328.8 Ų28.82%0.01616%0.157CC..  trans-71.9170.3167.771.1-22.2000112.1T187 R188 Q189 N190 Q377 W396D185-T187 VanDerWaalsContact CG-OG1 3.31Å; D185-T187 PolarHBondContact O-N 3.42Å; D185-T187 VanDerWaalsContact O-N 3.13Å; D185-T187 PolarHBondContact OD1-OG1 2.89Å; D185-T187 PolarHBondContact OD2-OG1 3.36Å; D185-R188 PolarHBondContact O-N 3.19Å; D185-R188 VanDerWaalsContact OD1-CA 3.23Å; D185-R188 WeakPolarHBondContact OD1-CA 3.24Å; D185-R188 PolarHBondContact OD1-N 3.46Å; D185-Q189 PolarHBondContact OD1-N 3.32Å; D185-N190 HydrophobicContact CB-CB 4.28Å; D185-N190 PolarHBondContact N-O 2.92Å; D185-N190 VanDerWaalsContact N-O 3.11Å; D185-N190 PolarHBondContact OD1-N 2.86Å; D185-N190 PolarHBondContact OD2-ND2 3.02Å; D185-Q377 PolarHBondContact O-NE2 2.71Å; D185-W396 HydrophobicContact CB-CH2 4.28Å; D185-W396 HydrophobicContact CB-CZ3 4.05Å
186S91.3Very high93.8Very high53 Ų5326.4 Ų26.437%0.37114%0.141SC..THydrogen-bonded Turntrans-58.6-25.5177.562.30000113.5Q377 V378 S381S186-Q377 VanDerWaalsContact C-NE2 3.29Å; S186-Q377 VanDerWaalsContact CA-NE2 3.28Å; S186-Q377 PolarHBondContact O-NE2 3.26Å; S186-V378 PolarHBondContact N-O 3.17Å; S186-S381 PolarHBondContact OG-OG 2.92Å
187T91.7Very high93.8Very high75 Ų7528.5 Ų28.546%0.4615%0.153SC..THydrogen-bonded Turntrans-88.4-10178790000114.3D185 Q189D185-T187 VanDerWaalsContact CG-OG1 3.31Å; D185-T187 PolarHBondContact O-N 3.42Å; D185-T187 VanDerWaalsContact O-N 3.13Å; D185-T187 PolarHBondContact OD1-OG1 2.89Å; D185-T187 PolarHBondContact OD2-OG1 3.36Å; T187-Q189 PolarHBondContact O-N 3.42Å; T187-Q189 WeakPolarHBondContact OG1-CB 3.33Å; T187-Q189 WeakPolarHBondContact OG1-CG 3.45Å; T187-Q189 PolarHBondContact OG1-N 2.86Å
188R92.1Very high93.4Very high94 Ų9433.2 Ų33.236%0.35516%0.164SC..SBendtrans57.418.2-171.8-52.6-178.8178-160.6-4.7114.5M184 D185 W438M184-R188 HydrophobicContact SD-CB 4.3Å; M184-R188 HydrophobicContact SD-CG 4.19Å; D185-R188 PolarHBondContact O-N 3.19Å; D185-R188 VanDerWaalsContact OD1-CA 3.23Å; D185-R188 WeakPolarHBondContact OD1-CA 3.24Å; D185-R188 PolarHBondContact OD1-N 3.46Å; R188-W438 PolarHBondContact O-NE1 3.23Å; R188-W438 VanDerWaalsContact O-NE1 3.15Å
189Q94Very high93Very high101 Ų10134.7 Ų34.747%0.47217%0.17SC..SBendtrans-92.9-15.7177.5-61.5-54.3-5000112.8D185 T187 K399D185-Q189 PolarHBondContact OD1-N 3.32Å; T187-Q189 PolarHBondContact O-N 3.42Å; T187-Q189 WeakPolarHBondContact OG1-CB 3.33Å; T187-Q189 WeakPolarHBondContact OG1-CG 3.45Å; T187-Q189 PolarHBondContact OG1-N 2.86Å; Q189-K399 WeakPolarHBondContact O-CB 3.1Å; Q189-K399 PolarHBondContact O-N 3.03Å
190N95.3Very high92.3Very high50 Ų5035.2 Ų35.227%0.26717%0.174SC..EExtended strand (participates in β ladder)trans-125.3145178.8-57.1-75.6000109.9M184 D185 W396 F397 P398M184-N190 VanDerWaalsContact CA-O 3.31Å; M184-N190 WeakPolarHBondContact CA-O 3.4Å; D185-N190 HydrophobicContact CB-CB 4.28Å; D185-N190 PolarHBondContact N-O 2.92Å; D185-N190 VanDerWaalsContact N-O 3.11Å; D185-N190 PolarHBondContact OD1-N 2.86Å; D185-N190 PolarHBondContact OD2-ND2 3.02Å; N190-W396 HydrophobicContact CB-CE3 3.82Å; N190-W396 HydrophobicContact CB-CZ3 4.27Å; N190-F397 WeakPolarHBondContact CA-O 3.29Å; N190-P398 WeakPolarHBondContact OD1-CA 3.38Å
191V96.6Very high91.7Very high0 Ų036.2 Ų36.20%018%0.181CC..EExtended strand (participates in β ladder)trans-131.3141.6179.770.70000110.6L182 V183 L193 W396 F397 V402 W438L182-V191 HydrophobicContact CD1-CG2 3.41Å; L182-V191 VanDerWaalsContact CD1-CG2 3.41Å; L182-V191 HydrophobicContact CD2-CG2 3.98Å; L182-V191 HydrophobicContact CG-CG2 3.41Å; L182-V191 VanDerWaalsContact CG-CG2 3.41Å; V183-V191 CarbonylContact O-C 3.4Å; V183-V191 WeakPolarHBondContact O-CA 3.36Å; V183-V191 VanDerWaalsContact O-CG2 3.31Å; V183-V191 WeakPolarHBondContact O-CG2 3.42Å; V191-L193 HydrophobicContact CG1-CG 4.21Å; V191-W396 CarbonylContact O-C 3Å; V191-W396 WeakPolarHBondContact O-CA 3.3Å; V191-F397 HydrophobicContact CG1-CB 4.33Å; V191-F397 PolarHBondContact N-O 2.84Å; V191-F397 PolarHBondContact O-N 2.96Å; V191-V402 HydrophobicContact CG1-CG2 3.85Å; V191-W438 HydrophobicContact CB-CE3 4.47Å; V191-W438 HydrophobicContact CB-CH2 3.66Å; V191-W438 HydrophobicContact CB-CZ2 3.75Å; V191-W438 HydrophobicContact CB-CZ3 4.06Å; V191-W438 HydrophobicContact CG1-CE3 4.29Å; V191-W438 HydrophobicContact CG1-CH2 3.4Å; V191-W438 VanDerWaalsContact CG1-CH2 3.4Å; V191-W438 HydrophobicContact CG1-CZ2 4.05Å; V191-W438 HydrophobicContact CG1-CZ3 3.57Å
192V96Very high91.2Very high0 Ų036.6 Ų36.60%019%0.185CC..EExtended strand (participates in β ladder)trans-83.8128.3170.8-174.70000108.7V183 I207 V347 L349 L385 Q395 W396V183-V192 HydrophobicContact CB-CB 4.23Å; V183-V192 HydrophobicContact CB-CG2 4.26Å; V183-V192 HydrophobicContact CG1-CG2 4.29Å; V183-V192 PolarHBondContact O-N 3.27Å; V192-I207 HydrophobicContact CG1-CD1 4.46Å; V192-V347 HydrophobicContact CG1-CG1 4.33Å; V192-L349 HydrophobicContact CG2-CD1 3.72Å; V192-L385 HydrophobicContact CG1-CD1 4.44Å; V192-L385 HydrophobicContact CG1-CD2 3.84Å; V192-L385 HydrophobicContact CG2-CD2 3.93Å; V192-Q395 WeakPolarHBondContact CA-O 3.42Å; V192-W396 HydrophobicContact CG2-CD2 3.59Å; V192-W396 HydrophobicContact CG2-CE3 3.55Å; V192-W396 HydrophobicContact CG2-CG 4.41Å; V192-W396 HydrophobicContact CG2-CH2 3.47Å; V192-W396 VanDerWaalsContact CG2-CH2 3.47Å; V192-W396 HydrophobicContact CG2-CZ2 3.5Å; V192-W396 HydrophobicContact CG2-CZ3 3.5Å; V192-W396 VanDerWaalsContact CG2-CZ3 3.5Å
193L96.9Very high90.8Very high0 Ų037.1 Ų37.10%019%0.188CC..EExtended strand (participates in β ladder)trans-124.5144165.9-54.9170.8000109.8L182 V191 Y204 T205 Q395 F397 L422 L424 I435L182-L193 HydrophobicContact CD1-CD2 3.68Å; V191-L193 HydrophobicContact CG1-CG 4.21Å; L193-Y204 HydrophobicContact CB-CD1 4.28Å; L193-Y204 HydrophobicContact CB-CG 4.43Å; L193-T205 CarbonylContact C-O 3.6Å; L193-T205 WeakPolarHBondContact CA-O 3.39Å; L193-Q395 PolarHBondContact N-O 2.83Å; L193-Q395 PolarHBondContact O-N 2.73Å; L193-F397 HydrophobicContact CB-CD2 3.84Å; L193-F397 HydrophobicContact CB-CE2 3.89Å; L193-F397 HydrophobicContact CD1-CD2 3.82Å; L193-F397 HydrophobicContact CD1-CE2 4.3Å; L193-F397 HydrophobicContact CD1-CG 4.42Å; L193-F397 HydrophobicContact CG-CD2 3.97Å; L193-F397 HydrophobicContact CG-CE2 4.47Å; L193-L422 HydrophobicContact CD1-CD1 4.4Å; L193-L424 HydrophobicContact CD1-CD2 4.02Å; L193-I435 HydrophobicContact CD2-CD1 4.21Å
194I94.8Very high90.6Very high1 Ų138.2 Ų38.21%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-108.6155179.158.8155.7000111.4Y204 T205 I207 V347 L392 K393 A394I194-Y204 CarbonylContact O-C 3.58Å; I194-Y204 VanDerWaalsContact O-CA 3.26Å; I194-Y204 WeakPolarHBondContact O-CA 3.33Å; I194-T205 HydrophobicContact CG1-CG2 4.12Å; I194-T205 WeakPolarHBondContact CG1-O 3.06Å; I194-T205 PolarHBondContact N-O 3.45Å; I194-T205 PolarHBondContact O-N 3.44Å; I194-I207 HydrophobicContact CD1-CB 4.49Å; I194-I207 HydrophobicContact CD1-CG1 4.2Å; I194-I207 HydrophobicContact CG1-CG1 4.12Å; I194-I207 HydrophobicContact CG2-CD1 4.37Å; I194-I207 HydrophobicContact CG2-CG1 3.71Å; I194-V347 HydrophobicContact CG2-CG1 3.64Å; I194-L392 HydrophobicContact CB-CD1 4.49Å; I194-L392 HydrophobicContact CD1-CD1 3.76Å; I194-K393 CarbonylContact C-O 3.51Å; I194-K393 VanDerWaalsContact CA-O 3.26Å; I194-K393 WeakPolarHBondContact CA-O 3.37Å; I194-A394 HydrophobicContact CG2-CB 4Å
195R92.3Very high90.5Very high37 Ų3738.9 Ų38.914%0.1420%0.196CC..EExtended strand (participates in β ladder)trans-132.5122.1173.7173.9176.1178.4-70-5.1110.6H199 P200 L203 Y204 K393R195-H199 HydrophobicContact CG-CB 4.19Å; R195-H199 PolarHBondContact NH2-O 3.02Å; R195-P200 PolarHBondContact NE-O 3.48Å; R195-L203 VanDerWaalsContact CG-O 3.27Å; R195-L203 WeakPolarHBondContact CG-O 3.33Å; R195-Y204 HydrophobicContact CB-CD1 3.64Å; R195-Y204 HydrophobicContact CB-CD2 4.26Å; R195-Y204 HydrophobicContact CB-CE1 3.66Å; R195-Y204 HydrophobicContact CB-CE2 4.25Å; R195-Y204 HydrophobicContact CB-CG 3.95Å; R195-K393 HydrophobicContact CB-CB 4.33Å; R195-K393 PolarHBondContact N-O 3.49Å; R195-K393 PolarHBondContact O-N 3.15Å; R195-K393 VanDerWaalsContact O-N 3.07Å
196H88.7Confident90.6Very high31 Ų3138.8 Ų38.814%0.14420%0.196CC..  trans-75.8150.4171.6-60.5-82.7000112.8W198 H199 L392H196-W198 VanDerWaalsContact C-N 3.25Å; H196-W198 HydrophobicContact CB-CD2 3.7Å; H196-W198 HydrophobicContact CB-CE3 3.99Å; H196-W198 HydrophobicContact CB-CG 4.38Å; H196-W198 HydrophobicContact CB-CH2 3.71Å; H196-W198 HydrophobicContact CB-CZ2 3.37Å; H196-W198 HydrophobicContact CB-CZ3 3.98Å; H196-W198 AromaticContact CD2-CZ2 3.85Å; H196-W198 AromaticContact CE1-CZ2 3.96Å; H196-W198 AromaticContact CG-CE2 3.73Å; H196-W198 AromaticContact CG-CH2 3.58Å; H196-W198 AromaticContact CG-CZ2 3.22Å; H196-W198 AromaticContact ND1-CH2 3.2Å; H196-W198 WeakPolarHBondContact ND1-CH2 3.17Å; H196-W198 AromaticContact ND1-CZ2 3.29Å; H196-W198 VanDerWaalsContact ND1-CZ2 3.29Å; H196-W198 WeakPolarHBondContact ND1-CZ2 3.16Å; H196-W198 PolarHBondContact O-N 3.34Å; H196-H199 AromaticContact CD2-CE1 3.54Å; H196-H199 AromaticContact CD2-NE2 3.67Å; H196-H199 WeakPolarHBondContact O-CB 3.21Å; H196-H199 PolarHBondContact O-N 2.78Å; H196-H199 VanDerWaalsContact O-N 3.08Å; H196-L392 HydrophobicContact CB-CD2 4.21Å; H196-L392 WeakPolarHBondContact ND1-CD2 3.44Å
197P85.4Confident90.8Very high84 Ų8436.3 Ų36.355%0.54518%0.179SC..THydrogen-bonded Turntrans-55.9-36.5179.5-28.335.3000114.2H199P197-H199 VanDerWaalsContact C-N 3.32Å; P197-H199 PolarHBondContact O-N 3.41Å
198W80.5Confident90.9Very high153 Ų15334.4 Ų34.458%0.5817%0.171SC*.THydrogen-bonded Turntrans-81.2-5.4-179.16181000114.2H196H196-W198 VanDerWaalsContact C-N 3.25Å; H196-W198 HydrophobicContact CB-CD2 3.7Å; H196-W198 HydrophobicContact CB-CE3 3.99Å; H196-W198 HydrophobicContact CB-CG 4.38Å; H196-W198 HydrophobicContact CB-CH2 3.71Å; H196-W198 HydrophobicContact CB-CZ2 3.37Å; H196-W198 HydrophobicContact CB-CZ3 3.98Å; H196-W198 AromaticContact CD2-CZ2 3.85Å; H196-W198 AromaticContact CE1-CZ2 3.96Å; H196-W198 AromaticContact CG-CE2 3.73Å; H196-W198 AromaticContact CG-CH2 3.58Å; H196-W198 AromaticContact CG-CZ2 3.22Å; H196-W198 AromaticContact ND1-CH2 3.2Å; H196-W198 WeakPolarHBondContact ND1-CH2 3.17Å; H196-W198 AromaticContact ND1-CZ2 3.29Å; H196-W198 VanDerWaalsContact ND1-CZ2 3.29Å; H196-W198 WeakPolarHBondContact ND1-CZ2 3.16Å; H196-W198 PolarHBondContact O-N 3.34Å
199H84.3Confident90.9Very high33 Ų3330.4 Ų30.415%0.15316%0.159CC..SBendtrans-70.8150175-76.2-171.5000111.1R195 H196 P197 L203R195-H199 HydrophobicContact CG-CB 4.19Å; R195-H199 PolarHBondContact NH2-O 3.02Å; H196-H199 AromaticContact CD2-CE1 3.54Å; H196-H199 AromaticContact CD2-NE2 3.67Å; H196-H199 WeakPolarHBondContact O-CB 3.21Å; H196-H199 PolarHBondContact O-N 2.78Å; H196-H199 VanDerWaalsContact O-N 3.08Å; P197-H199 VanDerWaalsContact C-N 3.32Å; P197-H199 PolarHBondContact O-N 3.41Å; H199-L203 HydrophobicContact CB-CB 4.3Å; H199-L203 HydrophobicContact CB-CD2 4.29Å
200P80.2Confident90.7Very high12 Ų1228.5 Ų28.58%0.07815%0.149CC..PPolyproline II helixtrans-48.6149.5164.9-25.132.5000111.9L115 R195 G202 L203 W414L115-P200 HydrophobicContact CD1-CG 3.95Å; R195-P200 PolarHBondContact NE-O 3.48Å; P200-G202 PolarHBondContact O-N 3.21Å; P200-L203 HydrophobicContact CB-CB 4.37Å; P200-L203 HydrophobicContact CG-CD2 4.3Å; P200-L203 PolarHBondContact O-N 2.72Å; P200-W414 HydrophobicContact CB-CE3 4.41Å; P200-W414 HydrophobicContact CB-CZ3 4.43Å; P200-W414 HydrophobicContact CG-CD2 4.1Å; P200-W414 HydrophobicContact CG-CE3 3.97Å; P200-W414 HydrophobicContact CG-CH2 3.67Å; P200-W414 HydrophobicContact CG-CZ2 3.75Å; P200-W414 HydrophobicContact CG-CZ3 3.78Å
201P83.3Confident90.3Very high28 Ų2827.5 Ų27.518%0.18214%0.144CC..THydrogen-bonded Turntrans-52.3137.3171.1-25.434.9000111.6L203 T415 E417 A420P201-L203 PolarHBondContact O-N 2.77Å; P201-T415 HydrophobicContact CB-CG2 4.31Å; P201-T415 WeakPolarHBondContact CD-O 3.39Å; P201-E417 WeakPolarHBondContact CB-O 3.37Å; P201-E417 WeakPolarHBondContact CG-O 3.49Å; P201-A420 HydrophobicContact CB-CB 3.96Å
202G87Confident89.3Confident9 Ų931.4 Ų31.49%0.09316%0.162CC..THydrogen-bonded Turntrans77.7-10.6-179.900000115.8P200 Y204 R423P200-G202 PolarHBondContact O-N 3.21Å; G202-Y204 WeakPolarHBondContact O-CD2 3.1Å; G202-Y204 PolarHBondContact O-N 3.48Å; G202-R423 PolarHBondContact O-N 3.01Å
203L89.1Confident87.7Confident11 Ų1133.8 Ų33.86%0.05818%0.178CC..BIsolated β-bridgetrans-80.6110.7178.5-177.569.9000111.6L115 R195 H199 P200 P201 R423 L424L115-L203 HydrophobicContact CD1-CD2 4.17Å; L115-L203 HydrophobicContact CD2-CD2 4.11Å; R195-L203 VanDerWaalsContact CG-O 3.27Å; R195-L203 WeakPolarHBondContact CG-O 3.33Å; H199-L203 HydrophobicContact CB-CB 4.3Å; H199-L203 HydrophobicContact CB-CD2 4.29Å; P200-L203 HydrophobicContact CB-CB 4.37Å; P200-L203 HydrophobicContact CG-CD2 4.3Å; P200-L203 PolarHBondContact O-N 2.72Å; P201-L203 PolarHBondContact O-N 2.77Å; L203-R423 WeakPolarHBondContact CA-O 3.46Å; L203-R423 HydrophobicContact CD1-CB 4.48Å; L203-L424 VanDerWaalsContact CD1-O 3.24Å; L203-L424 WeakPolarHBondContact CD1-O 3.36Å
204Y93.7Very high85.4Confident22 Ų2235.9 Ų35.99%0.08620%0.195CC..  trans-111.4151.8173.7-73.6-104.9000110.6L193 I194 R195 G202 K393 Q395 F397 L422 R423 P425L193-Y204 HydrophobicContact CB-CD1 4.28Å; L193-Y204 HydrophobicContact CB-CG 4.43Å; I194-Y204 CarbonylContact O-C 3.58Å; I194-Y204 VanDerWaalsContact O-CA 3.26Å; I194-Y204 WeakPolarHBondContact O-CA 3.33Å; R195-Y204 HydrophobicContact CB-CD1 3.64Å; R195-Y204 HydrophobicContact CB-CD2 4.26Å; R195-Y204 HydrophobicContact CB-CE1 3.66Å; R195-Y204 HydrophobicContact CB-CE2 4.25Å; R195-Y204 HydrophobicContact CB-CG 3.95Å; G202-Y204 WeakPolarHBondContact O-CD2 3.1Å; G202-Y204 PolarHBondContact O-N 3.48Å; Y204-K393 HydrophobicContact CE1-CB 4.44Å; Y204-Q395 HydrophobicContact CE1-CG 4.46Å; Y204-Q395 PolarHBondContact OH-NE2 2.78Å; Y204-F397 AromaticContact CD1-CE2 3.76Å; Y204-F397 HydrophobicContact CD1-CE2 3.76Å; Y204-F397 HydrophobicContact CD1-CZ 4Å; Y204-F397 HydrophobicContact CD2-CZ 4.2Å; Y204-F397 HydrophobicContact CE1-CE2 4.07Å; Y204-F397 HydrophobicContact CE1-CZ 4Å; Y204-F397 HydrophobicContact CE2-CZ 4.23Å; Y204-F397 HydrophobicContact CG-CE2 4.04Å; Y204-F397 HydrophobicContact CG-CZ 4.11Å; Y204-L422 HydrophobicContact CD2-CD1 3.74Å; Y204-L422 HydrophobicContact CG-CD1 4.03Å; Y204-R423 PolarHBondContact N-O 3.11Å; Y204-P425 VanDerWaalsContact O-CD 3.3Å; Y204-P425 WeakPolarHBondContact O-CD 3.42Å
205T93.9Very high82.7Confident19 Ų1941.7 Ų41.712%0.11723%0.226CC..BIsolated β-bridgetrans-141.8170-175.5-173.10000111.2L193 I194L193-T205 CarbonylContact C-O 3.6Å; L193-T205 WeakPolarHBondContact CA-O 3.39Å; I194-T205 HydrophobicContact CG1-CG2 4.12Å; I194-T205 WeakPolarHBondContact CG1-O 3.06Å; I194-T205 PolarHBondContact N-O 3.45Å; I194-T205 PolarHBondContact O-N 3.44Å
206A96.1Very high79.8Confident2 Ų248.6 Ų48.62%0.01726%0.259CS..  trans-67.3159.4168.900000112.2I180 V181 L182I180-A206 HydrophobicContact CD1-CB 3.98Å; I180-A206 HydrophobicContact CG1-CB 3.75Å; V181-A206 WeakPolarHBondContact O-CB 3.3Å; L182-A206 HydrophobicContact CD1-CB 4.16Å
207I95.4Very high76.8Confident0 Ų049.9 Ų49.90%028%0.281CS..EExtended strand (participates in β ladder)trans-76.1137178.6-61.1160.6000108.5I180 V181 V183 V192 I194 E342 V343 E346 V347I180-I207 CarbonylContact C-O 3.56Å; I180-I207 VanDerWaalsContact CA-O 3.3Å; I180-I207 WeakPolarHBondContact CA-O 3.15Å; I180-I207 WeakPolarHBondContact CG1-O 3.2Å; V181-I207 PolarHBondContact N-O 3.5Å; V181-I207 PolarHBondContact O-N 2.96Å; V181-I207 VanDerWaalsContact O-N 3.1Å; V183-I207 HydrophobicContact CG2-CD1 3.94Å; V192-I207 HydrophobicContact CG1-CD1 4.46Å; I194-I207 HydrophobicContact CD1-CB 4.49Å; I194-I207 HydrophobicContact CD1-CG1 4.2Å; I194-I207 HydrophobicContact CG1-CG1 4.12Å; I194-I207 HydrophobicContact CG2-CD1 4.37Å; I194-I207 HydrophobicContact CG2-CG1 3.71Å; I207-E342 HydrophobicContact CG2-CB 4.4Å; I207-V343 HydrophobicContact CB-CG2 4.47Å; I207-V343 HydrophobicContact CD1-CG1 4.39Å; I207-V343 HydrophobicContact CD1-CG2 4.05Å; I207-V343 HydrophobicContact CG2-CG2 4.27Å; I207-E346 HydrophobicContact CG2-CB 4.07Å; I207-E346 HydrophobicContact CG2-CG 4.13Å; I207-V347 HydrophobicContact CD1-CB 4.46Å; I207-V347 HydrophobicContact CD1-CG1 3.87Å; I207-V347 HydrophobicContact CD1-CG2 3.64Å; I207-V347 HydrophobicContact CG1-CG1 4.41Å
208A93.7Very high74.1Confident36 Ų3650.4 Ų50.430%0.29829%0.293SS..EExtended strand (participates in β ladder)trans-150.4143.2-178.300000111.6A179 I180 M371A179-A208 WeakPolarHBondContact O-CA 3.32Å; I180-A208 HydrophobicContact CB-CB 4.03Å; I180-A208 HydrophobicContact CD1-CB 4.4Å; I180-A208 HydrophobicContact CG1-CB 4.01Å; A208-M371 HydrophobicContact CB-CE 3.55Å
209G91Very high71.4Confident10 Ų1052 Ų5210%0.10331%0.307CS..EExtended strand (participates in β ladder)trans-160.4172.9175.200000113.8A178 A179 E342A178-G209 CarbonylContact C-O 3.6Å; A178-G209 WeakPolarHBondContact CA-O 3.41Å; A178-G209 VanDerWaalsContact CB-O 3.28Å; A178-G209 WeakPolarHBondContact CB-O 3.46Å; A179-G209 PolarHBondContact N-O 3.23Å; A179-G209 PolarHBondContact O-N 3.26Å; G209-E342 VanDerWaalsContact CA-CD 3.43Å
210F90Very high68.6Low61 Ų6154.2 Ų54.227%0.26833%0.33SS..EExtended strand (participates in β ladder)trans-84.4143.3-172.2-77.9-77.7000110.7A178 E212 T338 R341 P366 H367 S369A178-F210 HydrophobicContact CB-CD1 4.18Å; A178-F210 HydrophobicContact CB-CE1 4.49Å; F210-E212 PolarHBondContact O-N 3.42Å; F210-T338 WeakPolarHBondContact O-CG2 3.13Å; F210-R341 PolarHBondContact O-NH2 3.37Å; F210-P366 HydrophobicContact CE2-CG 3.42Å; F210-P366 VanDerWaalsContact CE2-CG 3.42Å; F210-P366 VanDerWaalsContact CZ-CD 3.44Å; F210-P366 HydrophobicContact CZ-CG 3.5Å; F210-P366 VanDerWaalsContact CZ-CG 3.5Å; F210-H367 HydrophobicContact CZ-CB 4.43Å; F210-S369 WeakPolarHBondContact CE1-OG 3.46Å; F210-S369 WeakPolarHBondContact CZ-OG 3.35Å
211N87.6Confident65.8Low29 Ų2960.6 Ų60.616%0.15536%0.364CS..PPolyproline II helixtrans-71.1123.1168.5179.3-106.4000108.6P177 E333 T334 L335 T338P177-N211 HydrophobicContact CB-CB 3.91Å; P177-N211 HydrophobicContact CG-CB 3.93Å; P177-N211 PolarHBondContact O-N 3.45Å; N211-E333 WeakPolarHBondContact ND2-CG 3.14Å; N211-E333 PolarHBondContact ND2-O 3.3Å; N211-T334 PolarHBondContact ND2-O 2.88Å; N211-L335 HydrophobicContact CB-CD2 4.08Å; N211-T338 WeakPolarHBondContact CA-OG1 3.46Å; N211-T338 HydrophobicContact CB-CG2 4.41Å; N211-T338 PolarHBondContact ND2-OG1 3.2Å
212E74.4Confident63Low82 Ų8265 Ų6538%0.38338%0.384SS..PPolyproline II helixtrans-95.4131.6-178.2-65.7-171.9168.800110.1F210 E333F210-E212 PolarHBondContact O-N 3.42Å; E212-E333 PolarHBondContact N-OE1 3.01Å; E212-E333 WeakPolarHBondContact O-CG 3.36Å; E212-E333 PolarHBondContact O-N 3.42Å; E212-E333 VanDerWaalsContact O-N 3.13Å
213C62.9Low59.9Low50 Ų5070.4 Ų70.434%0.33842%0.416SS..BIsolated β-bridgetrans-80.3135.8156-55.30000106.6L215 C332C213-L215 PolarHBondContact O-N 2.97Å; C213-C332 HydrophobicContact CB-CB 3.94Å; C213-C332 WeakPolarHBondContact CB-SG 3.44Å; C213-C332 WeakPolarHBondContact SG-CB 3.19Å; C213-C332 CovalentContact SG-SG 2.05Å; C213-C332 PolarHBondContact SG-SG 3Å
214A48.7Very low56.9Low44 Ų4476 Ų7636%0.36444%0.444SS..THydrogen-bonded Turntrans-66.359.4-174.700000112.6P329 L331A214-P329 CarbonylContact C-O 3.4Å; A214-P329 WeakPolarHBondContact CA-O 3.15Å; A214-P329 PolarHBondContact N-O 2.89Å; A214-P329 CarbonylContact O-C 3.55Å; A214-P329 WeakPolarHBondContact O-CA 3.43Å; A214-P329 VanDerWaalsContact O-CB 3.31Å; A214-P329 WeakPolarHBondContact O-CB 3.2Å; A214-L331 PolarHBondContact N-O 2.87Å
215L37.7Very low53.4Low122 Ų12281.4 Ų81.464%0.63948%0.48SS*.THydrogen-bonded Turntrans-84.5-27.4168.5-86159.3000110.5C213C213-L215 PolarHBondContact O-N 2.97Å
216Q31.3Very low50.3Low182 Ų18282.9 Ų82.985%0.8549%0.489SS*.SBendtrans-156.988.3178.9-64.9-171.6-34.800111.1
217G27.3Very low46.9Very low58 Ų5886.9 Ų86.960%0.59851%0.513SS*.  trans178.2106.5174.500000113.4
218A28.8Very low43.5Very low96 Ų9691.2 Ų91.279%0.79354%0.54SS*.  trans40.9117.1160.800000118.5A220A218-A220 PolarHBondContact O-N 2.88Å
219Q23Very low40.5Very low187 Ų18793.6 Ų93.687%0.87454%0.542SS*.  trans-54.181.5155.5-68.7171.4-41.900110.2N221Q219-N221 PolarHBondContact O-N 3.06Å
220A24.9Very low37.3Very low78 Ų7898.2 Ų98.265%0.64556%0.563SS**  trans-69.5107.3153.900000104.8A218 I222A218-A220 PolarHBondContact O-N 2.88Å; A220-I222 PolarHBondContact O-N 2.91Å
221N22.5Very low34.5Very low146 Ų14697.3 Ų97.378%0.78156%0.561SS**  trans-63.872.5172.9-78.7-30.1000109.5Q219 T223Q219-N221 PolarHBondContact O-N 3.06Å; N221-T223 VanDerWaalsContact C-N 3.32Å; N221-T223 PolarHBondContact O-N 3.21Å; N221-T223 VanDerWaalsContact O-N 3.11Å
222I24.6Very low31.7Very low120 Ų120100.8 Ų100.862%0.61558%0.576SS**  trans-74.297.7159.5-58179.9000104.8A220 I224A220-I222 PolarHBondContact O-N 2.91Å; I222-I224 VanDerWaalsContact C-N 3.27Å; I222-I224 HydrophobicContact CG2-CD1 4.23Å; I222-I224 HydrophobicContact CG2-CG1 3.64Å; I222-I224 PolarHBondContact O-N 2.05Å
223T21.2Very low29.7Very low124 Ų124102.1 Ų102.176%0.76159%0.59SS**  trans-70.787.6171-49.30000108.4N221N221-T223 VanDerWaalsContact C-N 3.32Å; N221-T223 PolarHBondContact O-N 3.21Å; N221-T223 VanDerWaalsContact O-N 3.11Å
224I26Very low28.1Very low127 Ų127105.8 Ų105.865%0.65160%0.604SS**  trans-80.9117.1165.4-52.8-177.3000106.6I222 V226I222-I224 VanDerWaalsContact C-N 3.27Å; I222-I224 HydrophobicContact CG2-CD1 4.23Å; I222-I224 HydrophobicContact CG2-CG1 3.64Å; I222-I224 PolarHBondContact O-N 2.05Å; I224-V226 HydrophobicContact CB-CG2 4.22Å; I224-V226 HydrophobicContact CG2-CG2 3.66Å; I224-V226 PolarHBondContact O-N 2.95Å; I224-V226 VanDerWaalsContact O-N 3.15Å
225T21.1Very low27.4Very low137 Ų137107.6 Ų107.684%0.8461%0.605SS**  trans-72.8105.1172.7-48.70000108.7
226V28.2Very low27.2Very low49 Ų49107.8 Ų107.830%0.29760%0.602SS.*  trans-115.6130.3178-177.20000108.9I224 V228 L276I224-V226 HydrophobicContact CB-CG2 4.22Å; I224-V226 HydrophobicContact CG2-CG2 3.66Å; I224-V226 PolarHBondContact O-N 2.95Å; I224-V226 VanDerWaalsContact O-N 3.15Å; V226-V228 PolarHBondContact O-N 3.38Å; V226-L276 HydrophobicContact CB-CD1 4.13Å; V226-L276 HydrophobicContact CG1-CD1 3.81Å; V226-L276 HydrophobicContact CG2-CD1 3.72Å
227T23.9Very low27.4Very low86 Ų86105 Ų10553%0.52860%0.6SS.*  trans-81.1106.2168.2-53.50000107.9Y229T227-Y229 HydrophobicContact CG2-CD2 4.28Å; T227-Y229 HydrophobicContact CG2-CE1 4.32Å; T227-Y229 HydrophobicContact CG2-CE2 3.63Å
228V25.6Very low27.8Very low92 Ų92109.2 Ų109.256%0.55861%0.609SS**  trans-77.6125.4174.3-179.10000108.1V226V226-V228 PolarHBondContact O-N 3.38Å
229Y28.9Very low28Very low86 Ų86106.5 Ų106.534%0.33759%0.59SS.*  trans-105.6139.4167.7-67.8-82.8000108.4T227 I231 C245 E247T227-Y229 HydrophobicContact CG2-CD2 4.28Å; T227-Y229 HydrophobicContact CG2-CE1 4.32Å; T227-Y229 HydrophobicContact CG2-CE2 3.63Å; Y229-I231 WeakPolarHBondContact O-CG1 3.37Å; Y229-I231 PolarHBondContact O-N 2.06Å; Y229-C245 WeakPolarHBondContact CD1-SG 3.17Å; Y229-E247 HydrophobicContact CD1-CG 4.17Å; Y229-E247 HydrophobicContact CE1-CG 3.75Å; Y229-E247 WeakPolarHBondContact CE1-OE1 3.47Å
230L24.1Very low28.5Very low106 Ų10698.5 Ų98.556%0.55555%0.554SS**EExtended strand (participates in β ladder)trans-59.9122.1175-100.5104.2000109.1T246 A281L230-T246 WeakPolarHBondContact CB-OG1 3.49Å; L230-T246 PolarHBondContact O-OG1 2.98Å; L230-T246 VanDerWaalsContact O-OG1 3.06Å; L230-A281 HydrophobicContact CD2-CB 3.3Å; L230-A281 HydrophobicContact CG-CB 3.87Å
231I32.7Very low29.1Very low42 Ų4296.9 Ų96.922%0.21553%0.534CS..EExtended strand (participates in β ladder)trans-103112.4-178.3-52-176.8000108.7Y229 T233 L243 V275 A277Y229-I231 WeakPolarHBondContact O-CG1 3.37Å; Y229-I231 PolarHBondContact O-N 2.06Å; I231-T233 HydrophobicContact CG2-CG2 4.05Å; I231-L243 HydrophobicContact CD1-CD2 4.33Å; I231-L243 HydrophobicContact CG2-CD2 3.81Å; I231-V275 HydrophobicContact CD1-CG1 4.41Å; I231-A277 HydrophobicContact CD1-CB 3.58Å
232E28.6Very low29.8Very low102 Ų10290.9 Ų90.948%0.47750%0.502SS..EExtended strand (participates in β ladder)trans-91.5115.3160.5-71.2-171.7167.700108.1P284E232-P284 WeakPolarHBondContact OE1-CG 3.35Å
233T32.7Very low30.5Very low110 Ų11086 Ų8668%0.67548%0.477SS*.EExtended strand (participates in β ladder)trans-84.4114.2176.554.40000109.7I231I231-T233 HydrophobicContact CG2-CG2 4.05Å
234M28.4Very low31.2Very low128 Ų12880.8 Ų80.863%0.63145%0.445SS*.EExtended strand (participates in β ladder)trans-121.1133.9167.6-74.5-103-71.900108.6D242M234-D242 WeakPolarHBondContact O-CB 3.38Å; M234-D242 PolarHBondContact O-N 2.74Å
235E33.3Very low31.9Very low82 Ų8275.9 Ų75.938%0.38342%0.422SS..EExtended strand (participates in β ladder)trans-97.1122.4176.3-113.5-178.410400110.5S293E235-S293 WeakPolarHBondContact OE1-CB 3.49Å; E235-S293 PolarHBondContact OE1-OG 3.41Å; E235-S293 WeakPolarHBondContact OE2-CB 3.43Å; E235-S293 PolarHBondContact OE2-OG 3.45Å
236E35.1Very low32.8Very low125 Ų12570.5 Ų70.558%0.58439%0.389SS*.EExtended strand (participates in β ladder)trans-87.3158.2170-81-137.2166.700111.7N238 G239E236-N238 PolarHBondContact O-N 3.18Å; E236-G239 PolarHBondContact O-N 2.81Å; E236-G239 VanDerWaalsContact O-N 3.15Å
237P34.5Very low33.3Very low124 Ų12473.1 Ų73.181%0.80540%0.398SS*.THydrogen-bonded Turntrans-55.7-8.7-164.5-26.734000118
238N35.2Very low34.3Very low146 Ų14677.7 Ų77.778%0.78142%0.419SS*.THydrogen-bonded Turntrans-105.313.2-176.7-65.4-31.4000114.1E236 V240E236-N238 PolarHBondContact O-N 3.18Å; N238-V240 VanDerWaalsContact C-N 3.28Å; N238-V240 HydrophobicContact CB-CG2 4.24Å
239G34.7Very low35.1Very low39 Ų3976.5 Ų76.540%0.40243%0.425SS..THydrogen-bonded Turntrans71.227.3-178.200000112.8E236 T258E236-G239 PolarHBondContact O-N 2.81Å; E236-G239 VanDerWaalsContact O-N 3.15Å; G239-T258 WeakPolarHBondContact O-CG2 3.27Å
240V32.1Very low35.3Very low20 Ų2080 Ų8012%0.12145%0.445CS..EExtended strand (participates in β ladder)trans-81.1119.2174.4173.80000107.5N238 D242 D256 T258N238-V240 VanDerWaalsContact C-N 3.28Å; N238-V240 HydrophobicContact CB-CG2 4.24Å; V240-D242 PolarHBondContact O-N 2.8Å; V240-D256 HydrophobicContact CG1-CB 3.76Å; V240-D256 VanDerWaalsContact CG1-CG 3.49Å; V240-D256 WeakPolarHBondContact CG1-OD1 3.25Å; V240-T258 HydrophobicContact CG2-CG2 4.13Å
241I38.6Very low36Very low44 Ų4479.7 Ų79.723%0.22645%0.447CS..EExtended strand (participates in β ladder)trans-73.8104.2168-59.3173.7000106L243 L257I241-L243 HydrophobicContact CG2-CD2 4.09Å; I241-L243 HydrophobicContact CG2-CG 4.24Å; I241-L243 PolarHBondContact O-N 3.33Å; I241-L257 HydrophobicContact CB-CD1 4.15Å; I241-L257 HydrophobicContact CD1-CD1 4.17Å; I241-L257 HydrophobicContact CG2-CD1 4.18Å
242D35.8Very low36.4Very low19 Ų1981.6 Ų81.610%0.10246%0.46CS..EExtended strand (participates in β ladder)trans-77.1107.5174-164.4-27.2000108.8M234 V240 T244 V254M234-D242 WeakPolarHBondContact O-CB 3.38Å; M234-D242 PolarHBondContact O-N 2.74Å; V240-D242 PolarHBondContact O-N 2.8Å; D242-T244 VanDerWaalsContact CG-OG1 3.32Å; D242-T244 PolarHBondContact OD1-N 3.31Å; D242-T244 PolarHBondContact OD1-OG1 2.99Å; D242-V254 HydrophobicContact CB-CG1 4.49Å; D242-V254 VanDerWaalsContact CG-CG1 3.43Å; D242-V254 WeakPolarHBondContact OD1-CG1 3.36Å; D242-V254 WeakPolarHBondContact OD1-CG2 3.47Å; D242-V254 WeakPolarHBondContact OD2-CG1 3.41Å
243L40.2Very low36.9Very low18 Ų1881.6 Ų81.69%0.09446%0.461CS..EExtended strand (participates in β ladder)trans-95.389.2167-59.8172.1000107.2I231 I241 C245 I255 L257 V275I231-L243 HydrophobicContact CD1-CD2 4.33Å; I231-L243 HydrophobicContact CG2-CD2 3.81Å; I241-L243 HydrophobicContact CG2-CD2 4.09Å; I241-L243 HydrophobicContact CG2-CG 4.24Å; I241-L243 PolarHBondContact O-N 3.33Å; L243-C245 PolarHBondContact O-N 3.42Å; L243-I255 HydrophobicContact CB-CB 4.15Å; L243-I255 PolarHBondContact O-N 3.06Å; L243-I255 VanDerWaalsContact O-N 3.08Å; L243-L257 HydrophobicContact CD1-CD1 3.83Å; L243-L257 HydrophobicContact CD1-CD2 3.91Å; L243-L257 HydrophobicContact CD1-CG 3.89Å; L243-L257 HydrophobicContact CG-CD1 4.45Å; L243-V275 HydrophobicContact CD1-CG1 4.14Å
244T36.3Very low37.2Very low15 Ų1579.9 Ų79.99%0.09245%0.45CS..EExtended strand (participates in β ladder)trans-83115.6176.9-430000109.6D242 V251 E253 V254D242-T244 VanDerWaalsContact CG-OG1 3.32Å; D242-T244 PolarHBondContact OD1-N 3.31Å; D242-T244 PolarHBondContact OD1-OG1 2.99Å; T244-V251 HydrophobicContact CG2-CB 3.75Å; T244-V251 HydrophobicContact CG2-CG1 3.17Å; T244-V251 HydrophobicContact CG2-CG2 3.49Å; T244-V251 VanDerWaalsContact CG2-CG2 3.49Å; T244-E253 CarbonylContact C-O 3.5Å; T244-E253 WeakPolarHBondContact CA-O 3.33Å; T244-V254 HydrophobicContact CG2-CG2 4.11Å
245C40.7Very low37.8Very low23 Ų2375.6 Ų75.616%0.15543%0.429CS..EExtended strand (participates in β ladder)trans-75.5120.6173.3-177.40000108.8Y229 L243 V252 E253Y229-C245 WeakPolarHBondContact CD1-SG 3.17Å; L243-C245 PolarHBondContact O-N 3.42Å; C245-V252 HydrophobicContact CB-CB 4.17Å; C245-V252 WeakPolarHBondContact O-CB 3.41Å; C245-V252 PolarHBondContact O-N 2.58Å; C245-E253 PolarHBondContact N-O 3.26Å
246T38.8Very low38.1Very low24 Ų2473.4 Ų73.415%0.14742%0.42CS..EExtended strand (participates in β ladder)trans-108.9125.6174.158.10000111L230 E250L230-T246 WeakPolarHBondContact CB-OG1 3.49Å; L230-T246 PolarHBondContact O-OG1 2.98Å; L230-T246 VanDerWaalsContact O-OG1 3.06Å; T246-E250 WeakPolarHBondContact CA-O 3.37Å
247E38.7Very low38.2Very low105 Ų10568.5 Ų68.549%0.49140%0.398SS..EExtended strand (participates in β ladder)trans-107.3124.3160.6-79.2-175.6174.500106.7Y229 G249 E250 V252Y229-E247 HydrophobicContact CD1-CG 4.17Å; Y229-E247 HydrophobicContact CE1-CG 3.75Å; Y229-E247 WeakPolarHBondContact CE1-OE1 3.47Å; E247-G249 PolarHBondContact O-N 2.82Å; E247-E250 PolarHBondContact N-O 3.1Å; E247-E250 PolarHBondContact O-N 3.22Å; E247-V252 HydrophobicContact CB-CG2 3.81Å; E247-V252 HydrophobicContact CG-CG2 4.02Å
248D45.6Very low38.2Very low181 Ų18166.7 Ų66.797%0.96838%0.384SS*.THydrogen-bonded Turntrans49.728177.7-63.4-35.1000115.8
249G41.9Very low38.1Very low67 Ų6767.9 Ų67.969%0.69138%0.378SS*.THydrogen-bonded Turntrans89.21.6177.300000115.8E247E247-G249 PolarHBondContact O-N 2.82Å
250E34.5Very low38Very low161 Ų16171.6 Ų71.675%0.75240%0.395SS*.EExtended strand (participates in β ladder)trans-101.1138.1168.9-75.7-166.7161.300111.6T246 E247 V252T246-E250 WeakPolarHBondContact CA-O 3.37Å; E247-E250 PolarHBondContact N-O 3.1Å; E247-E250 PolarHBondContact O-N 3.22Å; E250-V252 PolarHBondContact O-N 3.26Å
251V37.1Very low38.3Very low99 Ų9973.4 Ų73.460%0.640%0.403SS*.EExtended strand (participates in β ladder)trans-67.2112.2177.6170.40000109.9T244 V254T244-V251 HydrophobicContact CG2-CB 3.75Å; T244-V251 HydrophobicContact CG2-CG1 3.17Å; T244-V251 HydrophobicContact CG2-CG2 3.49Å; T244-V251 VanDerWaalsContact CG2-CG2 3.49Å; V251-V254 HydrophobicContact CG1-CG2 4.31Å
252V41.6Very low38Very low81 Ų8178.5 Ų78.549%0.49143%0.431SS..EExtended strand (participates in β ladder)trans-86.8-43.7-179.7-1740000111.2C245 E247 E250C245-V252 HydrophobicContact CB-CB 4.17Å; C245-V252 WeakPolarHBondContact O-CB 3.41Å; C245-V252 PolarHBondContact O-N 2.58Å; E247-V252 HydrophobicContact CB-CG2 3.81Å; E247-V252 HydrophobicContact CG-CG2 4.02Å; E250-V252 PolarHBondContact O-N 3.26Å
253E38.8Very low37.9Very low103 Ų10381.7 Ų81.748%0.48145%0.454SS..EExtended strand (participates in β ladder)trans-163.9138.4-177.5-166.1171.7-171.200111.6T244 C245T244-E253 CarbonylContact C-O 3.5Å; T244-E253 WeakPolarHBondContact CA-O 3.33Å; C245-E253 PolarHBondContact N-O 3.26Å
254V40.1Very low37.2Very low74 Ų7489.4 Ų89.445%0.44849%0.489SS..EExtended strand (participates in β ladder)trans-101.3116.6174163.60000108.6D242 T244 V251D242-V254 HydrophobicContact CB-CG1 4.49Å; D242-V254 VanDerWaalsContact CG-CG1 3.43Å; D242-V254 WeakPolarHBondContact OD1-CG1 3.36Å; D242-V254 WeakPolarHBondContact OD1-CG2 3.47Å; D242-V254 WeakPolarHBondContact OD2-CG1 3.41Å; T244-V254 HydrophobicContact CG2-CG2 4.11Å; V251-V254 HydrophobicContact CG1-CG2 4.31Å
255I40.1Very low36.7Very low38 Ų38100.3 Ų100.320%0.19553%0.529CS..EExtended strand (participates in β ladder)trans-100.6105.5-179.9-51.5174000110.3L243 L257 I261 V275L243-I255 HydrophobicContact CB-CB 4.15Å; L243-I255 PolarHBondContact O-N 3.06Å; L243-I255 VanDerWaalsContact O-N 3.08Å; I255-L257 HydrophobicContact CG2-CD2 4.24Å; I255-L257 PolarHBondContact O-N 2.93Å; I255-I261 HydrophobicContact CG2-CD1 3.88Å; I255-I261 HydrophobicContact CG2-CG1 4.12Å; I255-V275 HydrophobicContact CD1-CG2 4.2Å
256D39.7Very low36Very low35 Ų35101.8 Ų101.819%0.18754%0.54CS..EExtended strand (participates in β ladder)trans-77100.7173.2176.61.6000111.2V240 T258 R259V240-D256 HydrophobicContact CG1-CB 3.76Å; V240-D256 VanDerWaalsContact CG1-CG 3.49Å; V240-D256 WeakPolarHBondContact CG1-OD1 3.25Å; D256-T258 PolarHBondContact O-N 2.68Å; D256-T258 VanDerWaalsContact OD1-CB 3.32Å; D256-T258 WeakPolarHBondContact OD1-CB 3.27Å; D256-T258 PolarHBondContact OD1-N 3.35Å; D256-T258 PolarHBondContact OD1-OG1 2.76Å; D256-T258 PolarHBondContact OD2-OG1 2.85Å; D256-R259 PolarHBondContact O-N 3.25Å; D256-R259 WeakPolarHBondContact OD2-CD 3.42Å; D256-R259 WeakPolarHBondContact OD2-CG 3.02Å; D256-R259 IonicContact OD2-CZ 2.78Å; D256-R259 IonicContact OD2-NE 3.38Å; D256-R259 PolarHBondContact OD2-NE 2.94Å
257L38.3Very low35.5Very low23 Ų23105.7 Ų105.712%0.1257%0.574CS.*THydrogen-bonded Turntrans-69.5-10.7178.8-65.3-176.1000114.9I241 L243 I255 R259 I261 V325I241-L257 HydrophobicContact CB-CD1 4.15Å; I241-L257 HydrophobicContact CD1-CD1 4.17Å; I241-L257 HydrophobicContact CG2-CD1 4.18Å; L243-L257 HydrophobicContact CD1-CD1 3.83Å; L243-L257 HydrophobicContact CD1-CD2 3.91Å; L243-L257 HydrophobicContact CD1-CG 3.89Å; L243-L257 HydrophobicContact CG-CD1 4.45Å; I255-L257 HydrophobicContact CG2-CD2 4.24Å; I255-L257 PolarHBondContact O-N 2.93Å; L257-R259 PolarHBondContact O-N 3.32Å; L257-I261 HydrophobicContact CD2-CD1 3.84Å; L257-V325 HydrophobicContact CD1-CG2 3.73Å
258T34.7Very low34.9Very low85 Ų85106.6 Ų106.652%0.52158%0.582SS.*THydrogen-bonded Turntrans-75.7-12.1175.972.50000112G239 V240 D256G239-T258 WeakPolarHBondContact O-CG2 3.27Å; V240-T258 HydrophobicContact CG2-CG2 4.13Å; D256-T258 PolarHBondContact O-N 2.68Å; D256-T258 VanDerWaalsContact OD1-CB 3.32Å; D256-T258 WeakPolarHBondContact OD1-CB 3.27Å; D256-T258 PolarHBondContact OD1-N 3.35Å; D256-T258 PolarHBondContact OD1-OG1 2.76Å; D256-T258 PolarHBondContact OD2-OG1 2.85Å
259R32.9Very low34.1Very low171 Ų171107.3 Ų107.365%0.64558%0.58SS**SBendtrans-106.3147.4176.6-61.5-177.6-170.3-158.7-3.9110.5D256 L257 I261D256-R259 PolarHBondContact O-N 3.25Å; D256-R259 WeakPolarHBondContact OD2-CD 3.42Å; D256-R259 WeakPolarHBondContact OD2-CG 3.02Å; D256-R259 IonicContact OD2-CZ 2.78Å; D256-R259 IonicContact OD2-NE 3.38Å; D256-R259 PolarHBondContact OD2-NE 2.94Å; L257-R259 PolarHBondContact O-N 3.32Å; R259-I261 PolarHBondContact O-N 3.22Å; R259-I261 VanDerWaalsContact O-N 3.13Å
260P31.3Very low33.4Very low117 Ų117111.9 Ų111.976%0.7659%0.588SS**  trans-53.8121.7166.8-20.231.1000109.3D262P260-D262 PolarHBondContact O-N 2.77Å
261I38.5Very low32.9Very low59 Ų59113 Ų11330%0.30359%0.585SS.*  trans-72.9109.3170.6-60.5167.9000106.3I255 L257 R259 C263I255-I261 HydrophobicContact CG2-CD1 3.88Å; I255-I261 HydrophobicContact CG2-CG1 4.12Å; L257-I261 HydrophobicContact CD2-CD1 3.84Å; R259-I261 PolarHBondContact O-N 3.22Å; R259-I261 VanDerWaalsContact O-N 3.13Å; I261-C263 VanDerWaalsContact C-N 3.33Å; I261-C263 PolarHBondContact O-N 2.87Å
262D31.6Very low32.5Very low150 Ų150120 Ų12080%0.80260%0.601SS**  trans-62.5102.3164.9-93.7-31.6000107.1P260 E264P260-D262 PolarHBondContact O-N 2.77Å; D262-E264 PolarHBondContact O-N 3.46Å
263C34.7Very low31.8Very low87 Ų87125.7 Ų125.759%0.58861%0.614SS**  trans-69.177.3170.2-65.50000107.2I261 R265I261-C263 VanDerWaalsContact C-N 3.33Å; I261-C263 PolarHBondContact O-N 2.87Å; C263-R265 PolarHBondContact O-N 3.2Å; C263-R265 VanDerWaalsContact O-N 3.12Å
264E25.9Very low31.6Very low179 Ų179123.5 Ų123.584%0.83661%0.608SS**  trans-53.8124.9170.2-76.7-161.9158.700107.6D262 S266D262-E264 PolarHBondContact O-N 3.46Å; E264-S266 VanDerWaalsContact C-N 3.28Å; E264-S266 PolarHBondContact O-N 3.41Å
265R24.7Very low31.3Very low245 Ų245122.3 Ų122.393%0.92560%0.6SS**  trans-54.699.2169.4-80.6179.3174.4-177.7-2.8106.5C263 A267C263-R265 PolarHBondContact O-N 3.2Å; C263-R265 VanDerWaalsContact O-N 3.12Å; R265-A267 PolarHBondContact O-N 3.01Å; R265-A267 VanDerWaalsContact O-N 3.08Å
266S27.2Very low31Very low54 Ų54122.6 Ų122.638%0.37860%0.602SS.*  trans-49.3124.8164.9-177.70000106.6E264 N268E264-S266 VanDerWaalsContact C-N 3.28Å; E264-S266 PolarHBondContact O-N 3.41Å; S266-N268 CarbonylContact O-C 3.56Å; S266-N268 VanDerWaalsContact O-C 3.31Å; S266-N268 PolarHBondContact O-N 2.86Å
267A26.8Very low30.8Very low105 Ų105122 Ų12287%0.86860%0.602SS**SBendtrans-59.9-0-17700000113.9R265R265-A267 PolarHBondContact O-N 3.01Å; R265-A267 VanDerWaalsContact O-N 3.08Å
268N27Very low30.3Very low124 Ų124124.7 Ų124.766%0.66362%0.616SS**SBendtrans-101.9109.7161.8-80.7-42.1000109.2S266 N270 R271S266-N268 CarbonylContact O-C 3.56Å; S266-N268 VanDerWaalsContact O-C 3.31Å; S266-N268 PolarHBondContact O-N 2.86Å; N268-N270 PolarHBondContact O-N 3.39Å; N268-R271 PolarHBondContact O-N 3.44Å
269E28.4Very low30Very low197 Ų197126.3 Ų126.392%0.92161%0.613SS**THydrogen-bonded Turntrans-55.5-1.7-172.6-68.3-175.3142.700116.4
270N27.6Very low29.7Very low163 Ų163128.3 Ų128.387%0.87262%0.621SS**THydrogen-bonded Turntrans-117.614.2-175.8-78.4-14.5000116.1N268N268-N270 PolarHBondContact O-N 3.39Å
271R24.9Very low29.5Very low183 Ų183125.1 Ų125.169%0.69160%0.604SS**  trans-118.395.3173.2-82.2-175.1175.1-176.3-3.1112.4N268N268-R271 PolarHBondContact O-N 3.44Å
272R26.8Very low28.7Very low246 Ų246131.4 Ų131.493%0.92863%0.632SS**  trans-80.4120.8155.7-72.2-178.8178.7173.90.1107.4
273R28.8Very low28.3Very low201 Ų201129.1 Ų129.176%0.75863%0.634SS**  trans-83.9120.4172.3-73.2-178.6178.2-178.6-2.7108.3
274T32.7Very low27.8Very low58 Ų58129.3 Ų129.336%0.35663%0.634SS.*  trans-119.7127.2166.2-62.40000106.7M318T274-M318 HydrophobicContact CG2-CE 3.96Å; T274-M318 HydrophobicContact CG2-CG 3.93Å
275V34Very low27.8Very low48 Ų48126 Ų12629%0.29163%0.631SS.*  trans-84.1127.2-179.1-174.70000109I231 L243 I255 A319I231-V275 HydrophobicContact CD1-CG1 4.41Å; L243-V275 HydrophobicContact CD1-CG1 4.14Å; I255-V275 HydrophobicContact CD1-CG2 4.2Å; V275-A319 HydrophobicContact CB-CB 4.45Å; V275-A319 PolarHBondContact O-N 3.37Å
276L33.7Very low27.7Very low45 Ų45124.4 Ų124.424%0.23663%0.631CS.*EExtended strand (participates in β ladder)trans-116.6129.6171.4-83.4149.2000107.9V226 D316 L317V226-L276 HydrophobicContact CB-CD1 4.13Å; V226-L276 HydrophobicContact CG1-CD1 3.81Å; V226-L276 HydrophobicContact CG2-CD1 3.72Å; L276-D316 HydrophobicContact CD2-CB 3.55Å; L276-L317 WeakPolarHBondContact CD2-O 3.17Å
277A35.8Very low27.6Very low22 Ų22125.7 Ų125.718%0.18265%0.652CS.*EExtended strand (participates in β ladder)trans-99.7113.117500000110I231 L311I231-A277 HydrophobicContact CD1-CB 3.58Å; A277-L311 WeakPolarHBondContact O-CD2 3.46Å
278D28.9Very low27.6Very low79 Ų79124 Ų12442%0.42265%0.645SS.*  trans-107135.7170.9-178.8-3.8000109.3R280D278-R280 VanDerWaalsContact C-N 3.29Å; D278-R280 PolarHBondContact O-N 3.33Å; D278-R280 PolarHBondContact OD1-N 2.81Å
279R28.5Very low27.6Very low119 Ų119127 Ų12745%0.44966%0.661SS.*  trans-79.52.7-179.9-120-173.6-173-178.6-0.2114.5A281 E308 D312R279-A281 PolarHBondContact O-N 3.18Å; R279-E308 IonicContact NH2-OE1 3.05Å; R279-D312 IonicContact CZ-OD1 3.92Å; R279-D312 IonicContact NH1-OD1 3.9Å; R279-D312 PolarHBondContact NH1-OD1 3.48Å
280R25.8Very low27.5Very low214 Ų214120.4 Ų120.481%0.80865%0.645SS**  trans-77.259.7175.7-69.7-176.7-172.3164.97.8113.2D278D278-R280 VanDerWaalsContact C-N 3.29Å; D278-R280 PolarHBondContact O-N 3.33Å; D278-R280 PolarHBondContact OD1-N 2.81Å
281A26.1Very low27.4Very low49 Ų49121.9 Ų121.941%0.40565%0.647SS.*SBendtrans-147.7127.5159.400000110.5L230 R279L230-A281 HydrophobicContact CD2-CB 3.3Å; L230-A281 HydrophobicContact CG-CB 3.87Å; R279-A281 PolarHBondContact O-N 3.18Å
282Q22.6Very low27.6Very low192 Ų192119 Ų11990%0.89765%0.652SS**PPolyproline II helixtrans-62.1135.7-171.6-67.9166.3-3.100111.8P284Q282-P284 WeakPolarHBondContact O-CD 3.39Å
283A22.9Very low28.1Very low101 Ų101110 Ų11084%0.83563%0.627SS**PPolyproline II helixtrans-53.7122.3176.900000112.2
284P24.9Very low28.5Very low91 Ų91103.8 Ų103.859%0.59161%0.609SS**PPolyproline II helixtrans-79.3141.9166.72.713.5000110.7E232 Q282E232-P284 WeakPolarHBondContact OE1-CG 3.35Å; Q282-P284 WeakPolarHBondContact O-CD 3.39Å
285S24.7Very low29Very low111 Ų111103.9 Ų103.978%0.77661%0.612SS**PPolyproline II helixtrans-67.2131.9-178.1500000114
286K23.5Very low29.4Very low211 Ų211109.2 Ų109.292%0.91763%0.627SS**  trans39.5101145.4-64.7-170.3176.9-176.30117.6
287G24.7Very low30.2Very low80 Ų80113.7 Ų113.783%0.82565%0.65SS**  trans177.5106.215400000112.6
288G27.2Very low31.3Very low70 Ų70114.6 Ų114.672%0.72266%0.655SS**  trans149.7110.4169.100000113.5G290G288-G290 PolarHBondContact O-N 3.39Å
289D26.5Very low32.9Very low188 Ų188116.1 Ų116.1100%1.00566%0.657SS**  trans-72.647.9177.6-77.8-42.4000113.2
290G26.4Very low34.5Very low57 Ų57110.4 Ų110.459%0.58864%0.636SS**PPolyproline II helixtrans-98119.5164.400000108.6G288 P292G288-G290 PolarHBondContact O-N 3.39Å; G290-P292 VanDerWaalsContact O-CD 3.32Å; G290-P292 WeakPolarHBondContact O-CD 3.12Å; G290-P292 VanDerWaalsContact O-N 3.11Å
291Q27Very low36.3Very low195 Ų195103.2 Ų103.291%0.91162%0.617SS**PPolyproline II helixtrans-57.4119.1164-85.6-179-56.200106.8S293Q291-S293 PolarHBondContact O-N 3.44Å; Q291-S293 VanDerWaalsContact O-N 3.16Å
292P28.3Very low38.1Very low122 Ų122104.4 Ų104.479%0.79262%0.619SS**PPolyproline II helixtrans-60.1123.6-176.222.8-32.4000108.9G290G290-P292 VanDerWaalsContact O-CD 3.32Å; G290-P292 WeakPolarHBondContact O-CD 3.12Å; G290-P292 VanDerWaalsContact O-N 3.11Å
293S37.5Very low40.3Very low56 Ų5697.2 Ų97.239%0.39259%0.589SS.*PPolyproline II helixtrans-48.5138.4153.8-73.80000108.8E235 Q291 S295E235-S293 WeakPolarHBondContact OE1-CB 3.49Å; E235-S293 PolarHBondContact OE1-OG 3.41Å; E235-S293 WeakPolarHBondContact OE2-CB 3.43Å; E235-S293 PolarHBondContact OE2-OG 3.45Å; Q291-S293 PolarHBondContact O-N 3.44Å; Q291-S293 VanDerWaalsContact O-N 3.16Å; S293-S295 PolarHBondContact O-N 2.82Å
294D37.6Very low42.5Very low72 Ų72100.1 Ų100.139%0.38558%0.58SS.*  trans-74.7100-179.9-157.15.1000108.9R296 L297D294-R296 PolarHBondContact O-N 3.44Å; D294-R296 WeakPolarHBondContact OD1-CB 3.25Å; D294-R296 WeakPolarHBondContact OD1-CD 3.41Å; D294-R296 WeakPolarHBondContact OD1-CG 3.18Å; D294-R296 IonicContact OD1-CZ 3Å; D294-R296 IonicContact OD1-NE 3.67Å; D294-R296 PolarHBondContact OD1-NE 3.09Å; D294-R296 IonicContact OD1-NH1 3.83Å; D294-R296 IonicContact OD2-NH1 2.72Å; D294-L297 HydrophobicContact CB-CD1 4.33Å; D294-L297 WeakPolarHBondContact O-CB 3.42Å; D294-L297 PolarHBondContact O-N 3.35Å
295S41.6Very low44.8Very low60 Ų60100 Ų10042%0.4257%0.572SS.*G310 helixtrans-46.8-20.317050.90000113S293 L297 C298 E308S293-S295 PolarHBondContact O-N 2.82Å; S295-L297 PolarHBondContact O-N 3.12Å; S295-C298 PolarHBondContact O-N 3.31Å; S295-E308 PolarHBondContact OG-OE2 2.95Å
296R43.4Very low46.9Very low159 Ų15995.4 Ų95.460%0.654%0.539SS*.G310 helixtrans-63.2-10.1172.3-57.2177.4-164.1151.6-1115.2D294 T306D294-R296 PolarHBondContact O-N 3.44Å; D294-R296 WeakPolarHBondContact OD1-CB 3.25Å; D294-R296 WeakPolarHBondContact OD1-CD 3.41Å; D294-R296 WeakPolarHBondContact OD1-CG 3.18Å; D294-R296 IonicContact OD1-CZ 3Å; D294-R296 IonicContact OD1-NE 3.67Å; D294-R296 PolarHBondContact OD1-NE 3.09Å; D294-R296 IonicContact OD1-NH1 3.83Å; D294-R296 IonicContact OD2-NH1 2.72Å; R296-T306 VanDerWaalsContact O-CG2 3.29Å; R296-T306 WeakPolarHBondContact O-CG2 3.36Å
297L50.5Low48.9Very low139 Ų13986.7 Ų86.773%0.72850%0.501SS*.G310 helixtrans-86.2-29.2177.7-76.8160.1000113.3D294 S295 K299D294-L297 HydrophobicContact CB-CD1 4.33Å; D294-L297 WeakPolarHBondContact O-CB 3.42Å; D294-L297 PolarHBondContact O-N 3.35Å; S295-L297 PolarHBondContact O-N 3.12Å; L297-K299 PolarHBondContact O-N 3.29Å
298C59.6Low50.8Low42 Ų4285.8 Ų85.828%0.28448%0.475SS..  trans-76.3117.8-179.6-71.20000110.2S295 T306 F307S295-C298 PolarHBondContact O-N 3.31Å; C298-T306 CarbonylContact O-C 3.11Å; C298-T306 WeakPolarHBondContact O-CA 3.35Å; C298-F307 HydrophobicContact CB-CD2 3.54Å; C298-F307 HydrophobicContact CB-CE2 3.86Å; C298-F307 HydrophobicContact CB-CG 4.25Å; C298-F307 PolarHBondContact O-N 2.8Å
299K62.2Low52.9Low110 Ų11086.4 Ų86.448%0.47846%0.462SS..BIsolated β-bridgetrans-128.4144.5-173.2-69.1176.8175.4-164.40111.3L297 Y304 E305 T306L297-K299 PolarHBondContact O-N 3.29Å; K299-Y304 WeakPolarHBondContact CD-O 3.3Å; K299-E305 CarbonylContact C-O 3.46Å; K299-E305 WeakPolarHBondContact CA-O 3.41Å; K299-T306 HydrophobicContact CG-CG2 4.23Å
300C61.9Low54.7Low0 Ų077.5 Ų77.50%041%0.414CS..  trans-60.4128.3169.2176.10000109.8V302 C303 Y304 E305 F307 C327 C330C300-V302 PolarHBondContact O-N 3.25Å; C300-V302 VanDerWaalsContact O-N 3.13Å; C300-V302 PolarHBondContact SG-N 2.81Å; C300-V302 VanDerWaalsContact SG-N 3.45Å; C300-C303 WeakPolarHBondContact CB-SG 3.46Å; C300-Y304 WeakPolarHBondContact O-CA 3.37Å; C300-Y304 PolarHBondContact O-N 2.89Å; C300-E305 PolarHBondContact N-O 3.48Å; C300-F307 HydrophobicContact CB-CE1 4.14Å; C300-F307 VanDerWaalsContact N-CE1 3.33Å; C300-C327 HydrophobicContact CB-CB 4.32Å; C300-C327 PolarHBondContact SG-N 3.3Å; C300-C330 PolarHBondContact SG-SG 3.02Å
301P62.9Low56.4Low62 Ų6276.5 Ų76.540%0.40340%0.396SS..THydrogen-bonded Turntrans-68.1-12.9-17928.6-35.9000113.3V325 I326P301-V325 VanDerWaalsContact CD-O 3.24Å; P301-V325 WeakPolarHBondContact CD-O 3.38Å; P301-I326 HydrophobicContact CG-CG2 3.84Å
302V64.3Low58.4Low74 Ų7472.1 Ų72.145%0.44838%0.378SS..THydrogen-bonded Turntrans-93.8-60.1-178.2-175.60000111.1C300 I326 C330C300-V302 PolarHBondContact O-N 3.25Å; C300-V302 VanDerWaalsContact O-N 3.13Å; C300-V302 PolarHBondContact SG-N 2.81Å; C300-V302 VanDerWaalsContact SG-N 3.45Å; V302-I326 HydrophobicContact CG2-CG2 4.37Å; V302-C330 HydrophobicContact CB-CB 3.74Å; V302-C330 HydrophobicContact CG1-CB 3.9Å; V302-C330 HydrophobicContact CG2-CB 4.13Å
303C69.3Low60.4Low41 Ų4168 Ų6828%0.27736%0.359SS..THydrogen-bonded Turntrans-91.5-14.6-178680000114.3C300 E305 C330C300-C303 WeakPolarHBondContact CB-SG 3.46Å; C303-E305 HydrophobicContact CB-CG 4.41Å; C303-E305 PolarHBondContact O-N 2.88Å; C303-C330 PolarHBondContact SG-SG 3.19Å
304Y68.9Low61.6Low162 Ų16273.6 Ų73.664%0.63538%0.378SS*.  trans61.88.8-174.7-59.6-93.3000115.8K299 C300K299-Y304 WeakPolarHBondContact CD-O 3.3Å; C300-Y304 WeakPolarHBondContact O-CA 3.37Å; C300-Y304 PolarHBondContact O-N 2.89Å
305E71.9Confident62.7Low89 Ų8975.5 Ų75.542%0.41638%0.381SS..  trans-66148.1167.5-65.7-176.8176.300110.2K299 C300 C303 D309 V310K299-E305 CarbonylContact C-O 3.46Å; K299-E305 WeakPolarHBondContact CA-O 3.41Å; C300-E305 PolarHBondContact N-O 3.48Å; C303-E305 HydrophobicContact CB-CG 4.41Å; C303-E305 PolarHBondContact O-N 2.88Å; E305-D309 HydrophobicContact CB-CB 4.44Å; E305-V310 HydrophobicContact CB-CG2 3.88Å
306T70.8Confident63.8Low15 Ų1575.9 Ų75.99%0.09238%0.378CS..BIsolated β-bridgetrans-68.3149.6173.670.80000109.1R296 C298 K299 E308 D309 V310R296-T306 VanDerWaalsContact O-CG2 3.29Å; R296-T306 WeakPolarHBondContact O-CG2 3.36Å; C298-T306 CarbonylContact O-C 3.11Å; C298-T306 WeakPolarHBondContact O-CA 3.35Å; K299-T306 HydrophobicContact CG-CG2 4.23Å; T306-E308 PolarHBondContact O-N 2.91Å; T306-D309 WeakPolarHBondContact CB-OD2 3.29Å; T306-D309 WeakPolarHBondContact CG2-OD2 3.25Å; T306-D309 PolarHBondContact N-OD2 3.13Å; T306-D309 PolarHBondContact O-N 3.21Å; T306-D309 VanDerWaalsContact O-N 3.1Å; T306-D309 PolarHBondContact OG1-N 3.4Å; T306-D309 PolarHBondContact OG1-OD2 2.93Å; T306-V310 WeakPolarHBondContact O-CG2 3.43Å; T306-V310 PolarHBondContact O-N 2.92Å
307F65.2Low64.7Low28 Ų2869 Ų6912%0.12335%0.353CS..Hα-helixtrans-59.7-28.4173.7-69.4-17.2000112.1C298 C300 L311 L317 V325C298-F307 HydrophobicContact CB-CD2 3.54Å; C298-F307 HydrophobicContact CB-CE2 3.86Å; C298-F307 HydrophobicContact CB-CG 4.25Å; C298-F307 PolarHBondContact O-N 2.8Å; C300-F307 HydrophobicContact CB-CE1 4.14Å; C300-F307 VanDerWaalsContact N-CE1 3.33Å; F307-L311 WeakPolarHBondContact O-CB 3.13Å; F307-L311 WeakPolarHBondContact O-CD1 3.46Å; F307-L311 WeakPolarHBondContact O-CG 3.35Å; F307-L311 PolarHBondContact O-N 2.96Å; F307-L317 HydrophobicContact CB-CD1 3.79Å; F307-L317 HydrophobicContact CB-CD2 4.28Å; F307-L317 HydrophobicContact CD1-CD1 4.3Å; F307-L317 HydrophobicContact CD1-CD2 3.47Å; F307-L317 VanDerWaalsContact CD1-CD2 3.47Å; F307-L317 HydrophobicContact CD2-CD1 4.27Å; F307-L317 HydrophobicContact CE1-CD2 3.95Å; F307-L317 HydrophobicContact CG-CD1 3.89Å; F307-L317 HydrophobicContact CG-CD2 3.94Å; F307-V325 HydrophobicContact CE1-CG1 4.15Å; F307-V325 HydrophobicContact CE2-CB 3.99Å; F307-V325 HydrophobicContact CE2-CG1 3.89Å; F307-V325 HydrophobicContact CZ-CB 3.66Å; F307-V325 HydrophobicContact CZ-CG1 3.62Å
308E64.7Low65.2Low60 Ų6064.7 Ų64.728%0.2833%0.33SS..Hα-helixtrans-63.6-48.7171.2-177.5159.3-151.800112.1R279 S295 T306 V310 L311 D312R279-E308 IonicContact NH2-OE1 3.05Å; S295-E308 PolarHBondContact OG-OE2 2.95Å; T306-E308 PolarHBondContact O-N 2.91Å; E308-V310 VanDerWaalsContact C-N 3.32Å; E308-V310 PolarHBondContact O-N 2.98Å; E308-L311 PolarHBondContact O-N 3.17Å; E308-D312 WeakPolarHBondContact O-CB 3.3Å; E308-D312 PolarHBondContact O-N 2.85Å
309D70.6Confident65.1Low84 Ų8463.2 Ų63.245%0.44932%0.321SS..Hα-helixtrans-62.1-39.3176.4-60.5-47.9000111.9E305 T306 D312 G313E305-D309 HydrophobicContact CB-CB 4.44Å; T306-D309 WeakPolarHBondContact CB-OD2 3.29Å; T306-D309 WeakPolarHBondContact CG2-OD2 3.25Å; T306-D309 PolarHBondContact N-OD2 3.13Å; T306-D309 PolarHBondContact O-N 3.21Å; T306-D309 VanDerWaalsContact O-N 3.1Å; T306-D309 PolarHBondContact OG1-N 3.4Å; T306-D309 PolarHBondContact OG1-OD2 2.93Å; D309-D312 PolarHBondContact O-N 2.8Å; D309-G313 PolarHBondContact O-N 2.6Å
310V64.3Low64.7Low0 Ų060.3 Ų60.30%031%0.31CS..Hα-helixtrans-62.9-47.3177.8172.50000110.5E305 T306 E308 G313 Y315 L317 C327E305-V310 HydrophobicContact CB-CG2 3.88Å; T306-V310 WeakPolarHBondContact O-CG2 3.43Å; T306-V310 PolarHBondContact O-N 2.92Å; E308-V310 VanDerWaalsContact C-N 3.32Å; E308-V310 PolarHBondContact O-N 2.98Å; V310-G313 PolarHBondContact O-N 3.26Å; V310-Y315 WeakPolarHBondContact O-CB 3.21Å; V310-Y315 PolarHBondContact O-N 2.78Å; V310-Y315 VanDerWaalsContact O-N 3.09Å; V310-L317 HydrophobicContact CB-CD2 4.23Å; V310-L317 HydrophobicContact CG1-CD2 3.75Å; V310-L317 HydrophobicContact CG1-CG 4.47Å; V310-C327 HydrophobicContact CG1-CB 3.69Å; V310-C327 HydrophobicContact CG2-CB 3.92Å
311L62.7Low63.8Low37 Ų3765 Ų6519%0.19434%0.341CS..Hα-helixtrans-69-36178-69.3169.7000112.2A277 F307 E308 G313 E314 L317A277-L311 WeakPolarHBondContact O-CD2 3.46Å; F307-L311 WeakPolarHBondContact O-CB 3.13Å; F307-L311 WeakPolarHBondContact O-CD1 3.46Å; F307-L311 WeakPolarHBondContact O-CG 3.35Å; F307-L311 PolarHBondContact O-N 2.96Å; E308-L311 PolarHBondContact O-N 3.17Å; L311-G313 PolarHBondContact O-N 3.47Å; L311-E314 PolarHBondContact O-N 2.94Å; L311-L317 HydrophobicContact CD1-CD1 4Å; L311-L317 HydrophobicContact CD2-CD1 4.16Å; L311-L317 HydrophobicContact CD2-CG 4.22Å; L311-L317 HydrophobicContact CG-CD1 4.03Å; L311-L317 HydrophobicContact CG-CG 4.37Å
312D68.3Low63.1Low102 Ų10266 Ų6655%0.54535%0.348SS..Hα-helixtrans-62.4-32.8171.4-83.6-23.7000111.9R279 E308 D309 E314R279-D312 IonicContact CZ-OD1 3.92Å; R279-D312 IonicContact NH1-OD1 3.9Å; R279-D312 PolarHBondContact NH1-OD1 3.48Å; E308-D312 WeakPolarHBondContact O-CB 3.3Å; E308-D312 PolarHBondContact O-N 2.85Å; D309-D312 PolarHBondContact O-N 2.8Å; D312-E314 PolarHBondContact O-N 3.17Å
313G69.4Low62.3Low37 Ų3763.4 Ų63.438%0.38134%0.337SS..THydrogen-bonded Turntrans-756.9174.300000115.2D309 V310 L311 Y315D309-G313 PolarHBondContact O-N 2.6Å; V310-G313 PolarHBondContact O-N 3.26Å; L311-G313 PolarHBondContact O-N 3.47Å; G313-Y315 WeakPolarHBondContact O-CD2 3.01Å; G313-Y315 WeakPolarHBondContact O-CE2 3.28Å; G313-Y315 PolarHBondContact O-N 2.93Å
314E63Low61.8Low173 Ų17366.5 Ų66.581%0.80835%0.347SS*.THydrogen-bonded Turntrans59.326.9-172.8-55.2-168.1154.700114L311 D312L311-E314 PolarHBondContact O-N 2.94Å; D312-E314 PolarHBondContact O-N 3.17Å
315Y61.8Low61.4Low112 Ų11259.9 Ų59.944%0.43932%0.324SS..PPolyproline II helixtrans-100.8142.6175.6-61.4-66.6000111.8V310 G313 P329V310-Y315 WeakPolarHBondContact O-CB 3.21Å; V310-Y315 PolarHBondContact O-N 2.78Å; V310-Y315 VanDerWaalsContact O-N 3.09Å; G313-Y315 WeakPolarHBondContact O-CD2 3.01Å; G313-Y315 WeakPolarHBondContact O-CE2 3.28Å; G313-Y315 PolarHBondContact O-N 2.93Å; Y315-P329 HydrophobicContact CD1-CG 3.15Å; Y315-P329 HydrophobicContact CD2-CG 4.04Å; Y315-P329 HydrophobicContact CE1-CG 3.52Å; Y315-P329 HydrophobicContact CE2-CG 4.35Å; Y315-P329 HydrophobicContact CG-CG 3.43Å; Y315-P329 VanDerWaalsContact CG-CG 3.43Å
316D64.1Low61Low67 Ų6756.3 Ų56.336%0.35831%0.307SS..PPolyproline II helixtrans-79.2154178.8-60.3-41.7000112.7L276 H328L276-D316 HydrophobicContact CD2-CB 3.55Å; D316-H328 HydrophobicContact CB-CB 4.17Å; D316-H328 WeakPolarHBondContact O-CB 3.46Å; D316-H328 PolarHBondContact O-N 3.09Å
317L61.2Low60.8Low15 Ų1555.8 Ų55.88%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-102135.4169.7-63.5172.1000110.6L276 F307 V310 L311 V325L276-L317 WeakPolarHBondContact CD2-O 3.17Å; F307-L317 HydrophobicContact CB-CD1 3.79Å; F307-L317 HydrophobicContact CB-CD2 4.28Å; F307-L317 HydrophobicContact CD1-CD1 4.3Å; F307-L317 HydrophobicContact CD1-CD2 3.47Å; F307-L317 VanDerWaalsContact CD1-CD2 3.47Å; F307-L317 HydrophobicContact CD2-CD1 4.27Å; F307-L317 HydrophobicContact CE1-CD2 3.95Å; F307-L317 HydrophobicContact CG-CD1 3.89Å; F307-L317 HydrophobicContact CG-CD2 3.94Å; V310-L317 HydrophobicContact CB-CD2 4.23Å; V310-L317 HydrophobicContact CG1-CD2 3.75Å; V310-L317 HydrophobicContact CG1-CG 4.47Å; L311-L317 HydrophobicContact CD1-CD1 4Å; L311-L317 HydrophobicContact CD2-CD1 4.16Å; L311-L317 HydrophobicContact CD2-CG 4.22Å; L311-L317 HydrophobicContact CG-CD1 4.03Å; L311-L317 HydrophobicContact CG-CG 4.37Å; L317-V325 HydrophobicContact CB-CG1 4.01Å; L317-V325 HydrophobicContact CD2-CG1 4.44Å
318M61.3Low60.9Low48 Ų4859 Ų5924%0.23632%0.319CS..EExtended strand (participates in β ladder)trans-116.2122.4179.8-172.6-175.8-169.800111T274 L320 V325 I326 L331T274-M318 HydrophobicContact CG2-CE 3.96Å; T274-M318 HydrophobicContact CG2-CG 3.93Å; M318-L320 HydrophobicContact CE-CD2 4.43Å; M318-L320 HydrophobicContact SD-CD2 4.22Å; M318-V325 CarbonylContact O-C 3.55Å; M318-V325 VanDerWaalsContact O-CA 3.31Å; M318-V325 WeakPolarHBondContact O-CA 3.36Å; M318-I326 HydrophobicContact CB-CG1 4.19Å; M318-I326 PolarHBondContact N-O 2.91Å; M318-I326 PolarHBondContact O-N 3.12Å; M318-L331 HydrophobicContact SD-CD1 4.31Å; M318-L331 HydrophobicContact SD-CD2 4.47Å
319A58.2Low60.7Low12 Ų1256.5 Ų56.510%0.09931%0.308CS..EExtended strand (participates in β ladder)trans-85.5122.8169.300000111.3V275 V325V275-A319 HydrophobicContact CB-CB 4.45Å; V275-A319 PolarHBondContact O-N 3.37Å; A319-V325 HydrophobicContact CB-CG2 4.23Å
320L54Low60.5Low48 Ų4852.9 Ų52.925%0.25129%0.289SS..  trans-86.2152.8176.4-60.2179.7000110.9M318 C322 G323 H324 I326M318-L320 HydrophobicContact CE-CD2 4.43Å; M318-L320 HydrophobicContact SD-CD2 4.22Å; L320-C322 VanDerWaalsContact CB-SG 3.55Å; L320-C322 PolarHBondContact O-N 2.75Å; L320-G323 PolarHBondContact O-N 3.13Å; L320-H324 WeakPolarHBondContact CB-O 3.26Å; L320-H324 HydrophobicContact CD1-CB 4.27Å; L320-H324 PolarHBondContact N-O 3.24Å; L320-I326 HydrophobicContact CD1-CD1 4.32Å; L320-I326 HydrophobicContact CD1-CG2 4.31Å; L320-I326 HydrophobicContact CD2-CD1 4.33Å
321P43.1Very low60.6Low99 Ų9956.4 Ų56.464%0.64331%0.308SS*.THydrogen-bonded Turntrans-56.4-20.6175.3-26.334.7000114.6G323P321-G323 PolarHBondContact O-N 2.78Å
322C48.4Very low60.9Low82 Ų8256.9 Ų56.955%0.55431%0.314SS*.THydrogen-bonded Turntrans-81.910.9174.461.80000114L320 H324L320-C322 VanDerWaalsContact CB-SG 3.55Å; L320-C322 PolarHBondContact O-N 2.75Å; C322-H324 PolarHBondContact O-N 3.43Å; C322-H324 PolarHBondContact O-ND1 2.64Å; C322-H324 PolarHBondContact SG-ND1 3.09Å
323G46.9Very low61.2Low21 Ų2154 Ų5422%0.21630%0.297CS..SBendtrans76.5-1.4-178.800000114.9L320 P321L320-G323 PolarHBondContact O-N 3.13Å; P321-G323 PolarHBondContact O-N 2.78Å
324H59.2Low61.8Low106 Ų10655.3 Ų55.349%0.49130%0.298SS..  trans-81.3137.1178-69.672.2000110.7L320 C322L320-H324 WeakPolarHBondContact CB-O 3.26Å; L320-H324 HydrophobicContact CD1-CB 4.27Å; L320-H324 PolarHBondContact N-O 3.24Å; C322-H324 PolarHBondContact O-N 3.43Å; C322-H324 PolarHBondContact O-ND1 2.64Å; C322-H324 PolarHBondContact SG-ND1 3.09Å
325V59.6Low63Low23 Ų2349.3 Ų49.314%0.13927%0.271CS..EExtended strand (participates in β ladder)trans-103.8128171.2-1790000109.3L257 P301 F307 L317 M318 A319L257-V325 HydrophobicContact CD1-CG2 3.73Å; P301-V325 VanDerWaalsContact CD-O 3.24Å; P301-V325 WeakPolarHBondContact CD-O 3.38Å; F307-V325 HydrophobicContact CE1-CG1 4.15Å; F307-V325 HydrophobicContact CE2-CB 3.99Å; F307-V325 HydrophobicContact CE2-CG1 3.89Å; F307-V325 HydrophobicContact CZ-CB 3.66Å; F307-V325 HydrophobicContact CZ-CG1 3.62Å; L317-V325 HydrophobicContact CB-CG1 4.01Å; L317-V325 HydrophobicContact CD2-CG1 4.44Å; M318-V325 CarbonylContact O-C 3.55Å; M318-V325 VanDerWaalsContact O-CA 3.31Å; M318-V325 WeakPolarHBondContact O-CA 3.36Å; A319-V325 HydrophobicContact CB-CG2 4.23Å
326I64.1Low64.3Low13 Ų1348.3 Ų48.37%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-125.3156.8179.164.7169.8000111.1P301 V302 M318 L320 L331P301-I326 HydrophobicContact CG-CG2 3.84Å; V302-I326 HydrophobicContact CG2-CG2 4.37Å; M318-I326 HydrophobicContact CB-CG1 4.19Å; M318-I326 PolarHBondContact N-O 2.91Å; M318-I326 PolarHBondContact O-N 3.12Å; L320-I326 HydrophobicContact CD1-CD1 4.32Å; L320-I326 HydrophobicContact CD1-CG2 4.31Å; L320-I326 HydrophobicContact CD2-CD1 4.33Å; I326-L331 HydrophobicContact CD1-CD1 4.04Å
327C66.6Low65.3Low4 Ų449.3 Ų49.33%0.02727%0.273CS..EExtended strand (participates in β ladder)trans-72.5141.8171.5940000110.5C300 V310 C330 L331C300-C327 HydrophobicContact CB-CB 4.32Å; C300-C327 PolarHBondContact SG-N 3.3Å; V310-C327 HydrophobicContact CG1-CB 3.69Å; V310-C327 HydrophobicContact CG2-CB 3.92Å; C327-C330 HydrophobicContact CB-CB 4.14Å; C327-C330 WeakPolarHBondContact CB-SG 3.48Å; C327-C330 WeakPolarHBondContact O-CA 3.39Å; C327-C330 WeakPolarHBondContact O-CB 3.47Å; C327-C330 PolarHBondContact O-N 3.22Å; C327-C330 WeakPolarHBondContact SG-CB 3.23Å; C327-C330 PolarHBondContact SG-N 3.26Å; C327-C330 CovalentContact SG-SG 2.06Å; C327-C330 PolarHBondContact SG-SG 2.93Å; C327-L331 PolarHBondContact O-N 3.45Å
328H67Low66.6Low96 Ų9648.6 Ų48.644%0.44427%0.269SS..G310 helixtrans-55-43.8175.9176-82.4000112.8D316 C330 L331D316-H328 HydrophobicContact CB-CB 4.17Å; D316-H328 WeakPolarHBondContact O-CB 3.46Å; D316-H328 PolarHBondContact O-N 3.09Å; H328-C330 PolarHBondContact O-N 3.34Å; H328-C330 VanDerWaalsContact O-N 3.09Å; H328-L331 VanDerWaalsContact O-CB 3.23Å; H328-L331 WeakPolarHBondContact O-CB 3.31Å; H328-L331 PolarHBondContact O-N 3.43Å
329P60.3Low68.1Low7 Ų746.3 Ų46.35%0.04526%0.258CS..G310 helixtrans-58.3-23.1172.8-27.135000114.8A214 Y315 L331A214-P329 CarbonylContact C-O 3.4Å; A214-P329 WeakPolarHBondContact CA-O 3.15Å; A214-P329 PolarHBondContact N-O 2.89Å; A214-P329 CarbonylContact O-C 3.55Å; A214-P329 WeakPolarHBondContact O-CA 3.43Å; A214-P329 VanDerWaalsContact O-CB 3.31Å; A214-P329 WeakPolarHBondContact O-CB 3.2Å; Y315-P329 HydrophobicContact CD1-CG 3.15Å; Y315-P329 HydrophobicContact CD2-CG 4.04Å; Y315-P329 HydrophobicContact CE1-CG 3.52Å; Y315-P329 HydrophobicContact CE2-CG 4.35Å; Y315-P329 HydrophobicContact CG-CG 3.43Å; Y315-P329 VanDerWaalsContact CG-CG 3.43Å; P329-L331 VanDerWaalsContact C-N 3.31Å
330C66.4Low69.6Low8 Ų849.1 Ų49.15%0.05427%0.271CS..G310 helixtrans-85.1-8.5179.5-550000112.3C300 V302 C303 C327 H328 C332C300-C330 PolarHBondContact SG-SG 3.02Å; V302-C330 HydrophobicContact CB-CB 3.74Å; V302-C330 HydrophobicContact CG1-CB 3.9Å; V302-C330 HydrophobicContact CG2-CB 4.13Å; C303-C330 PolarHBondContact SG-SG 3.19Å; C327-C330 HydrophobicContact CB-CB 4.14Å; C327-C330 WeakPolarHBondContact CB-SG 3.48Å; C327-C330 WeakPolarHBondContact O-CA 3.39Å; C327-C330 WeakPolarHBondContact O-CB 3.47Å; C327-C330 PolarHBondContact O-N 3.22Å; C327-C330 WeakPolarHBondContact SG-CB 3.23Å; C327-C330 PolarHBondContact SG-N 3.26Å; C327-C330 CovalentContact SG-SG 2.06Å; C327-C330 PolarHBondContact SG-SG 2.93Å; H328-C330 PolarHBondContact O-N 3.34Å; H328-C330 VanDerWaalsContact O-N 3.09Å; C330-C332 PolarHBondContact O-N 3.39Å
331L67.3Low71.2Confident74 Ų7448.9 Ų48.939%0.38727%0.266SS..  trans-69.2112.5168.5-169.470.8000107.2A214 M318 I326 C327 H328 P329A214-L331 PolarHBondContact N-O 2.87Å; M318-L331 HydrophobicContact SD-CD1 4.31Å; M318-L331 HydrophobicContact SD-CD2 4.47Å; I326-L331 HydrophobicContact CD1-CD1 4.04Å; C327-L331 PolarHBondContact O-N 3.45Å; H328-L331 VanDerWaalsContact O-CB 3.23Å; H328-L331 WeakPolarHBondContact O-CB 3.31Å; H328-L331 PolarHBondContact O-N 3.43Å; P329-L331 VanDerWaalsContact C-N 3.31Å
332C68.8Low73.5Confident48 Ų4845 Ų4532%0.32424%0.239SC..BIsolated β-bridgetrans-80.5144.6173.6-400000109.4C213 C330C213-C332 HydrophobicContact CB-CB 3.94Å; C213-C332 WeakPolarHBondContact CB-SG 3.44Å; C213-C332 WeakPolarHBondContact SG-CB 3.19Å; C213-C332 CovalentContact SG-SG 2.05Å; C213-C332 PolarHBondContact SG-SG 3Å; C330-C332 PolarHBondContact O-N 3.39Å
333E73.8Confident75.5Confident40 Ų4041 Ų4119%0.18721%0.213CC..PPolyproline II helixtrans-57.6154.8170.272.7-174168.200109.2N211 E212 E337 T338 R341N211-E333 WeakPolarHBondContact ND2-CG 3.14Å; N211-E333 PolarHBondContact ND2-O 3.3Å; E212-E333 PolarHBondContact N-OE1 3.01Å; E212-E333 WeakPolarHBondContact O-CG 3.36Å; E212-E333 PolarHBondContact O-N 3.42Å; E212-E333 VanDerWaalsContact O-N 3.13Å; E333-E337 HydrophobicContact CB-CB 4Å; E333-T338 VanDerWaalsContact CG-OG1 3.26Å; E333-T338 WeakPolarHBondContact CG-OG1 3.39Å; E333-T338 WeakPolarHBondContact OE1-CA 3.23Å; E333-T338 WeakPolarHBondContact OE1-CB 3.24Å; E333-T338 PolarHBondContact OE1-OG1 3.04Å; E333-R341 IonicContact OE1-CZ 3.76Å; E333-R341 IonicContact OE1-NE 3.79Å; E333-R341 PolarHBondContact OE1-NE 3.33Å; E333-R341 IonicContact OE1-NH2 3.69Å; E333-R341 PolarHBondContact OE1-NH2 3.19Å; E333-R341 IonicContact OE2-CZ 3.33Å; E333-R341 IonicContact OE2-NE 3.55Å; E333-R341 PolarHBondContact OE2-NE 3.11Å; E333-R341 IonicContact OE2-NH2 3.75Å
334T82.9Confident77.5Confident66 Ų6642.7 Ų42.741%0.40522%0.221SC..PPolyproline II helixtrans-67.8159.2169.960.50000110.7N211 E336 E337 T338N211-T334 PolarHBondContact ND2-O 2.88Å; T334-E336 PolarHBondContact O-N 3.22Å; T334-E337 WeakPolarHBondContact CB-OE2 3.18Å; T334-E337 WeakPolarHBondContact CG2-OE2 3.45Å; T334-E337 PolarHBondContact N-OE2 3.12Å; T334-E337 PolarHBondContact O-N 3.06Å; T334-E337 VanDerWaalsContact O-N 3.17Å; T334-E337 WeakPolarHBondContact OG1-CB 3.47Å; T334-E337 WeakPolarHBondContact OG1-CG 3.44Å; T334-E337 PolarHBondContact OG1-N 3.16Å; T334-E337 VanDerWaalsContact OG1-N 3.12Å; T334-E337 PolarHBondContact OG1-OE2 3.27Å; T334-T338 PolarHBondContact O-N 3.01Å; T334-T338 PolarHBondContact O-OG1 3.15Å
335L88.4Confident78.8Confident47 Ų4742.5 Ų42.525%0.24622%0.22CC..Hα-helixtrans-63.6-28.4176-76172.2000111.9P177 N211 A339 C372 F374P177-L335 HydrophobicContact CB-CD2 4.08Å; N211-L335 HydrophobicContact CB-CD2 4.08Å; L335-A339 WeakPolarHBondContact O-CB 3.39Å; L335-A339 PolarHBondContact O-N 3.25Å; L335-C372 HydrophobicContact CD1-CB 4.02Å; L335-F374 HydrophobicContact CB-CE2 4.09Å; L335-F374 HydrophobicContact CB-CZ 3.8Å
336E88.9Confident80.2Confident90 Ų9043.1 Ų43.142%0.42122%0.222SC..Hα-helixtrans-67.2-44.9173.8-66.674.8-169.800111.5T334 A339 I340 L354 F374T334-E336 PolarHBondContact O-N 3.22Å; E336-A339 WeakPolarHBondContact O-CB 3.48Å; E336-A339 PolarHBondContact O-N 2.98Å; E336-I340 WeakPolarHBondContact O-CG1 3.21Å; E336-I340 PolarHBondContact O-N 3.23Å; E336-L354 HydrophobicContact CB-CD2 3.81Å; E336-L354 HydrophobicContact CG-CD2 3.99Å; E336-F374 HydrophobicContact CG-CE1 4.08Å
337E85.6Confident81.5Confident88 Ų8842.5 Ų42.541%0.41122%0.219SC..Hα-helixtrans-63.5-43.4173.6-74.7160.9152.900111.2E333 T334 A339 I340 R341E333-E337 HydrophobicContact CB-CB 4Å; T334-E337 WeakPolarHBondContact CB-OE2 3.18Å; T334-E337 WeakPolarHBondContact CG2-OE2 3.45Å; T334-E337 PolarHBondContact N-OE2 3.12Å; T334-E337 PolarHBondContact O-N 3.06Å; T334-E337 VanDerWaalsContact O-N 3.17Å; T334-E337 WeakPolarHBondContact OG1-CB 3.47Å; T334-E337 WeakPolarHBondContact OG1-CG 3.44Å; T334-E337 PolarHBondContact OG1-N 3.16Å; T334-E337 VanDerWaalsContact OG1-N 3.12Å; T334-E337 PolarHBondContact OG1-OE2 3.27Å; E337-A339 VanDerWaalsContact C-N 3.32Å; E337-A339 PolarHBondContact O-N 3.11Å; E337-I340 PolarHBondContact O-N 2.71Å; E337-R341 WeakPolarHBondContact O-CB 3.47Å; E337-R341 PolarHBondContact O-N 3.07Å
338T88.7Confident82.5Confident0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-54.6-49.5171.7-56.70000111.2A179 F210 N211 E333 T334 I340 R341 E342A179-T338 HydrophobicContact CB-CG2 3.83Å; F210-T338 WeakPolarHBondContact O-CG2 3.13Å; N211-T338 WeakPolarHBondContact CA-OG1 3.46Å; N211-T338 HydrophobicContact CB-CG2 4.41Å; N211-T338 PolarHBondContact ND2-OG1 3.2Å; E333-T338 VanDerWaalsContact CG-OG1 3.26Å; E333-T338 WeakPolarHBondContact CG-OG1 3.39Å; E333-T338 WeakPolarHBondContact OE1-CA 3.23Å; E333-T338 WeakPolarHBondContact OE1-CB 3.24Å; E333-T338 PolarHBondContact OE1-OG1 3.04Å; T334-T338 PolarHBondContact O-N 3.01Å; T334-T338 PolarHBondContact O-OG1 3.15Å; T338-I340 VanDerWaalsContact C-N 3.29Å; T338-I340 PolarHBondContact O-N 3.29Å; T338-R341 PolarHBondContact O-N 2.56Å; T338-E342 HydrophobicContact CG2-CG 4.03Å; T338-E342 WeakPolarHBondContact O-CB 3.08Å; T338-E342 WeakPolarHBondContact O-CG 3.43Å; T338-E342 PolarHBondContact O-N 2.92Å
339A91.3Very high83.6Confident0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-59-41.3-178.900000112A179 V181 L335 E336 E337 V343 L354 F374A179-A339 HydrophobicContact CB-CB 3.96Å; V181-A339 HydrophobicContact CG2-CB 3.43Å; V181-A339 VanDerWaalsContact CG2-CB 3.43Å; L335-A339 WeakPolarHBondContact O-CB 3.39Å; L335-A339 PolarHBondContact O-N 3.25Å; E336-A339 WeakPolarHBondContact O-CB 3.48Å; E336-A339 PolarHBondContact O-N 2.98Å; E337-A339 VanDerWaalsContact C-N 3.32Å; E337-A339 PolarHBondContact O-N 3.11Å; A339-V343 VanDerWaalsContact O-CG2 3.22Å; A339-V343 WeakPolarHBondContact O-CG2 3.24Å; A339-V343 PolarHBondContact O-N 2.66Å; A339-L354 HydrophobicContact CB-CD1 4.06Å; A339-L354 HydrophobicContact CB-CD2 3.67Å; A339-F374 HydrophobicContact CB-CD2 4.15Å; A339-F374 HydrophobicContact CB-CG 4.35Å
340I90.4Very high85Confident72 Ų7245.7 Ų45.737%0.36925%0.247SC..Hα-helixtrans-70-48178.5-67.6164.7000110.7E336 E337 T338 E342 V343 S344 V351 L354E336-I340 WeakPolarHBondContact O-CG1 3.21Å; E336-I340 PolarHBondContact O-N 3.23Å; E337-I340 PolarHBondContact O-N 2.71Å; T338-I340 VanDerWaalsContact C-N 3.29Å; T338-I340 PolarHBondContact O-N 3.29Å; I340-E342 PolarHBondContact O-N 3.47Å; I340-V343 PolarHBondContact O-N 3.01Å; I340-S344 PolarHBondContact O-N 3.15Å; I340-V351 HydrophobicContact CG1-CB 4.44Å; I340-L354 HydrophobicContact CG1-CD2 4.49Å
341R88Confident86.1Confident42 Ų4246.1 Ų46.116%0.15825%0.249CC..Hα-helixtrans-57.7-50.6179.5178.9179.555.367.70.8111.4F210 E333 E337 T338 V343 S344 E345F210-R341 PolarHBondContact O-NH2 3.37Å; E333-R341 IonicContact OE1-CZ 3.76Å; E333-R341 IonicContact OE1-NE 3.79Å; E333-R341 PolarHBondContact OE1-NE 3.33Å; E333-R341 IonicContact OE1-NH2 3.69Å; E333-R341 PolarHBondContact OE1-NH2 3.19Å; E333-R341 IonicContact OE2-CZ 3.33Å; E333-R341 IonicContact OE2-NE 3.55Å; E333-R341 PolarHBondContact OE2-NE 3.11Å; E333-R341 IonicContact OE2-NH2 3.75Å; E337-R341 WeakPolarHBondContact O-CB 3.47Å; E337-R341 PolarHBondContact O-N 3.07Å; T338-R341 PolarHBondContact O-N 2.56Å; R341-V343 VanDerWaalsContact C-N 3.31Å; R341-V343 PolarHBondContact O-N 3.46Å; R341-S344 CarbonylContact O-C 3.59Å; R341-S344 WeakPolarHBondContact O-CB 3.32Å; R341-S344 PolarHBondContact O-N 3.28Å; R341-S344 VanDerWaalsContact O-N 3.1Å; R341-E345 WeakPolarHBondContact CD-OE1 3.29Å; R341-E345 VanDerWaalsContact CG-CD 3.48Å; R341-E345 HydrophobicContact CG-CG 4.17Å; R341-E345 WeakPolarHBondContact CG-OE1 3.3Å; R341-E345 IonicContact NH1-OE1 2.68Å; R341-E345 IonicContact NH1-OE2 3.84Å; R341-E345 PolarHBondContact NH1-OE2 3.46Å; R341-E345 WeakPolarHBondContact O-CB 3.44Å; R341-E345 WeakPolarHBondContact O-CG 3.23Å; R341-E345 PolarHBondContact O-N 2.86Å
342E90.7Very high87.1Confident17 Ų1747.5 Ų47.58%0.07926%0.257CS..Hα-helixtrans-62.3-37.3-179-69-70.8166.200112.1I207 G209 T338 I340 E346I207-E342 HydrophobicContact CG2-CB 4.4Å; G209-E342 VanDerWaalsContact CA-CD 3.43Å; T338-E342 HydrophobicContact CG2-CG 4.03Å; T338-E342 WeakPolarHBondContact O-CB 3.08Å; T338-E342 WeakPolarHBondContact O-CG 3.43Å; T338-E342 PolarHBondContact O-N 2.92Å; I340-E342 PolarHBondContact O-N 3.47Å; E342-E346 WeakPolarHBondContact O-CB 3.28Å; E342-E346 WeakPolarHBondContact O-CG 3.44Å; E342-E346 PolarHBondContact O-N 2.89Å
343V90.8Very high88.2Confident0 Ų047.4 Ų47.40%026%0.259CS..Hα-helixtrans-67.2-41.6174.5173.10000111.2V181 V183 I207 A339 I340 R341 V347 G348 L349 V351V181-V343 HydrophobicContact CB-CG2 3.92Å; V181-V343 HydrophobicContact CG1-CG2 3.99Å; V181-V343 HydrophobicContact CG2-CG2 4.2Å; V183-V343 HydrophobicContact CG2-CB 4.31Å; V183-V343 HydrophobicContact CG2-CG1 3.7Å; V183-V343 HydrophobicContact CG2-CG2 3.52Å; I207-V343 HydrophobicContact CB-CG2 4.47Å; I207-V343 HydrophobicContact CD1-CG1 4.39Å; I207-V343 HydrophobicContact CD1-CG2 4.05Å; I207-V343 HydrophobicContact CG2-CG2 4.27Å; A339-V343 VanDerWaalsContact O-CG2 3.22Å; A339-V343 WeakPolarHBondContact O-CG2 3.24Å; A339-V343 PolarHBondContact O-N 2.66Å; I340-V343 PolarHBondContact O-N 3.01Å; R341-V343 VanDerWaalsContact C-N 3.31Å; R341-V343 PolarHBondContact O-N 3.46Å; V343-V347 HydrophobicContact CG1-CG2 3.91Å; V343-V347 WeakPolarHBondContact O-CG2 3.32Å; V343-V347 PolarHBondContact O-N 3.16Å; V343-V347 VanDerWaalsContact O-N 3.16Å; V343-G348 PolarHBondContact O-N 2.95Å; V343-L349 HydrophobicContact CG1-CB 3.84Å; V343-V351 HydrophobicContact CB-CG2 4.01Å; V343-V351 HydrophobicContact CG1-CG2 3.6Å; V343-V351 HydrophobicContact CG2-CG2 4.27Å
344S89Confident89.2Confident55 Ų5547.8 Ų47.839%0.38526%0.263SS..Hα-helixtrans-64.5-44.4175.8-176.90000111.9I340 R341 G348I340-S344 PolarHBondContact O-N 3.15Å; R341-S344 CarbonylContact O-C 3.59Å; R341-S344 WeakPolarHBondContact O-CB 3.32Å; R341-S344 PolarHBondContact O-N 3.28Å; R341-S344 VanDerWaalsContact O-N 3.1Å; S344-G348 WeakPolarHBondContact O-CA 3.49Å; S344-G348 PolarHBondContact O-N 2.93Å
345E85.5Confident89.8Confident102 Ų10248.5 Ų48.548%0.47726%0.261SS..Hα-helixtrans-71-39.8-177.5-72.9174.817700112.7R341R341-E345 WeakPolarHBondContact CD-OE1 3.29Å; R341-E345 VanDerWaalsContact CG-CD 3.48Å; R341-E345 HydrophobicContact CG-CG 4.17Å; R341-E345 WeakPolarHBondContact CG-OE1 3.3Å; R341-E345 IonicContact NH1-OE1 2.68Å; R341-E345 IonicContact NH1-OE2 3.84Å; R341-E345 PolarHBondContact NH1-OE2 3.46Å; R341-E345 WeakPolarHBondContact O-CB 3.44Å; R341-E345 WeakPolarHBondContact O-CG 3.23Å; R341-E345 PolarHBondContact O-N 2.86Å
346E89.8Confident90.1Very high37 Ų3751.5 Ų51.517%0.17327%0.27CS..Hα-helixtrans-84.3-32.6-172.5-70.6-76.4-16600113.5I207 E342 S390 L392I207-E346 HydrophobicContact CG2-CB 4.07Å; I207-E346 HydrophobicContact CG2-CG 4.13Å; E342-E346 WeakPolarHBondContact O-CB 3.28Å; E342-E346 WeakPolarHBondContact O-CG 3.44Å; E342-E346 PolarHBondContact O-N 2.89Å; E346-S390 PolarHBondContact O-OG 3.12Å; E346-S390 VanDerWaalsContact O-OG 3.05Å; E346-S390 WeakPolarHBondContact OE2-CB 3.3Å; E346-S390 PolarHBondContact OE2-OG 3.03Å; E346-L392 WeakPolarHBondContact OE2-CD1 3.31Å
347V91Very high90.3Very high0 Ų047.3 Ų47.30%025%0.251CS..Hα-helixtrans-136.50.4-173.5-58.10000115.2V192 I194 I207 V343 L349 L385 D386 A394V192-V347 HydrophobicContact CG1-CG1 4.33Å; I194-V347 HydrophobicContact CG2-CG1 3.64Å; I207-V347 HydrophobicContact CD1-CB 4.46Å; I207-V347 HydrophobicContact CD1-CG1 3.87Å; I207-V347 HydrophobicContact CD1-CG2 3.64Å; I207-V347 HydrophobicContact CG1-CG1 4.41Å; V343-V347 HydrophobicContact CG1-CG2 3.91Å; V343-V347 WeakPolarHBondContact O-CG2 3.32Å; V343-V347 PolarHBondContact O-N 3.16Å; V343-V347 VanDerWaalsContact O-N 3.16Å; V347-L349 VanDerWaalsContact C-N 3.34Å; V347-L349 HydrophobicContact CG2-CB 4.05Å; V347-L349 HydrophobicContact CG2-CD1 3.9Å; V347-L349 HydrophobicContact CG2-CG 3.84Å; V347-L349 PolarHBondContact O-N 2.83Å; V347-L385 HydrophobicContact CB-CD2 4.06Å; V347-L385 HydrophobicContact CG2-CD2 4.46Å; V347-D386 CarbonylContact C-O 3.51Å; V347-D386 PolarHBondContact O-N 2.91Å; V347-A394 HydrophobicContact CB-CB 4.4Å; V347-A394 HydrophobicContact CG1-CB 3.59Å
348G87.5Confident90.6Very high36 Ų3645.7 Ų45.737%0.37126%0.258SS..  trans70.125.1175.600000114.7V343 S344V343-G348 PolarHBondContact O-N 2.95Å; S344-G348 WeakPolarHBondContact O-CA 3.49Å; S344-G348 PolarHBondContact O-N 2.93Å
349L91Very high90.7Very high4 Ų448.1 Ų48.12%0.02127%0.269CS..  trans-105.6136-176.9-67.2-178.2000112.7V183 V192 V343 V347 V378 A383 L385 W396V183-L349 HydrophobicContact CG1-CD1 3.97Å; V192-L349 HydrophobicContact CG2-CD1 3.72Å; V343-L349 HydrophobicContact CG1-CB 3.84Å; V347-L349 VanDerWaalsContact C-N 3.34Å; V347-L349 HydrophobicContact CG2-CB 4.05Å; V347-L349 HydrophobicContact CG2-CD1 3.9Å; V347-L349 HydrophobicContact CG2-CG 3.84Å; V347-L349 PolarHBondContact O-N 2.83Å; L349-V378 HydrophobicContact CB-CG1 4.1Å; L349-V378 HydrophobicContact CD1-CG1 4.12Å; L349-A383 HydrophobicContact CD2-CB 3.54Å; L349-L385 HydrophobicContact CD1-CD2 3.62Å; L349-L385 HydrophobicContact CD2-CD2 4.27Å; L349-L385 HydrophobicContact CG-CD2 3.97Å; L349-W396 HydrophobicContact CD1-CH2 4.39Å; L349-W396 HydrophobicContact CD1-CZ2 3.84Å
350D90.1Very high90.8Very high134 Ų13451.6 Ų51.672%0.71729%0.294SS*.  trans-88111.7171.4-65.6-42.1000111.1
351V89.3Confident90.6Very high17 Ų1749.9 Ų49.910%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-83.9118.5175.7177.80000109.5I340 V343 A353 L354 Q377I340-V351 HydrophobicContact CG1-CB 4.44Å; V343-V351 HydrophobicContact CB-CG2 4.01Å; V343-V351 HydrophobicContact CG1-CG2 3.6Å; V343-V351 HydrophobicContact CG2-CG2 4.27Å; V351-A353 VanDerWaalsContact CG1-O 3.27Å; V351-A353 WeakPolarHBondContact CG1-O 3.24Å; V351-L354 HydrophobicContact CG1-CB 4.4Å; V351-L354 HydrophobicContact CG1-CD1 4.1Å; V351-Q377 WeakPolarHBondContact CA-O 3.33Å
352N87.8Confident90.4Very high102 Ų10250.6 Ų50.655%0.54530%0.299SS..EExtended strand (participates in β ladder)trans-94.4-20.6-178.572.2-5.9000113.7Q377 A379N352-Q377 PolarHBondContact N-O 3.45Å; N352-Q377 PolarHBondContact OD1-O 3.01Å; N352-A379 HydrophobicContact CB-CB 4.47Å; N352-A379 VanDerWaalsContact ND2-CA 3.28Å; N352-A379 WeakPolarHBondContact ND2-CA 3.36Å; N352-A379 VanDerWaalsContact ND2-CB 3.28Å; N352-A379 WeakPolarHBondContact ND2-CB 3.45Å; N352-A379 PolarHBondContact ND2-N 3.47Å
353A92.5Very high89.9Confident46 Ų4652.3 Ų52.338%0.3831%0.305SS..EExtended strand (participates in β ladder)trans-141.3127.4178.100000108.7V351 G376 Q377V351-A353 VanDerWaalsContact CG1-O 3.27Å; V351-A353 WeakPolarHBondContact CG1-O 3.24Å; A353-G376 CarbonylContact O-C 3.57Å; A353-G376 WeakPolarHBondContact O-CA 3.29Å; A353-Q377 HydrophobicContact CB-CB 4.32Å; A353-Q377 PolarHBondContact O-N 3.1Å
354L94Very high89Confident48 Ų4852.3 Ų52.325%0.25131%0.305SS..EExtended strand (participates in β ladder)trans-124.2130.7179.3-165.778.7000108.8V181 E336 A339 I340 V351 F374 F375V181-L354 HydrophobicContact CG1-CD1 4.03Å; E336-L354 HydrophobicContact CB-CD2 3.81Å; E336-L354 HydrophobicContact CG-CD2 3.99Å; A339-L354 HydrophobicContact CB-CD1 4.06Å; A339-L354 HydrophobicContact CB-CD2 3.67Å; I340-L354 HydrophobicContact CG1-CD2 4.49Å; V351-L354 HydrophobicContact CG1-CB 4.4Å; V351-L354 HydrophobicContact CG1-CD1 4.1Å; L354-F374 HydrophobicContact CD1-CB 3.79Å; L354-F374 HydrophobicContact CD1-CG 4.41Å; L354-F374 HydrophobicContact CD2-CB 4.42Å; L354-F374 HydrophobicContact CD2-CD1 3.76Å; L354-F374 HydrophobicContact CD2-CE1 4.25Å; L354-F374 HydrophobicContact CD2-CG 4.16Å; L354-F374 HydrophobicContact CG-CB 4.05Å; L354-F374 HydrophobicContact CG-CD1 3.92Å; L354-F374 HydrophobicContact CG-CG 4.25Å; L354-F375 CarbonylContact C-O 3.59Å; L354-F375 WeakPolarHBondContact CA-O 3.29Å
355E94.7Very high88Confident81 Ų8150.2 Ų50.238%0.37929%0.289SS..EExtended strand (participates in β ladder)trans-124.9125.2-180-175.5-173157.400109.7V357 F374 F375E355-V357 PolarHBondContact O-N 2.75Å; E355-F374 CarbonylContact O-C 3.6Å; E355-F374 VanDerWaalsContact O-CA 3.25Å; E355-F374 WeakPolarHBondContact O-CA 3.44Å; E355-F375 PolarHBondContact N-O 3.14Å; E355-F375 PolarHBondContact O-N 3.15Å
356Y96.2Very high87.1Confident111 Ų11148.4 Ų48.444%0.43529%0.286SS..EExtended strand (participates in β ladder)trans-69.3124.9169.8178.9-121.5000110.4G358 M359 C372 A373 F374Y356-G358 VanDerWaalsContact C-N 3.25Å; Y356-G358 PolarHBondContact O-N 2.86Å; Y356-M359 PolarHBondContact OH-O 3.32Å; Y356-C372 HydrophobicContact CE2-CB 4.37Å; Y356-A373 WeakPolarHBondContact CD2-O 3.35Å; Y356-F374 HydrophobicContact CD2-CD1 4.26Å; Y356-F374 AromaticContact CD2-CE1 3.94Å; Y356-F374 HydrophobicContact CD2-CE1 3.94Å; Y356-F374 HydrophobicContact CD2-CZ 4.09Å; Y356-F374 HydrophobicContact CG-CE1 4.33Å
357V91.8Very high86Confident2 Ų252.3 Ų52.31%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-78.4-10.4-172.8-173.60000112.1E355 M359 A373 F375 R437E355-V357 PolarHBondContact O-N 2.75Å; V357-M359 VanDerWaalsContact C-N 3.3Å; V357-M359 HydrophobicContact CG1-CG 4.06Å; V357-M359 HydrophobicContact CG1-SD 3.76Å; V357-A373 HydrophobicContact CB-CB 4.2Å; V357-A373 HydrophobicContact CG2-CB 4.38Å; V357-A373 PolarHBondContact N-O 2.86Å; V357-F375 HydrophobicContact CG1-CE1 4.44Å; V357-F375 HydrophobicContact CG1-CE2 4.16Å; V357-F375 HydrophobicContact CG1-CZ 4.05Å; V357-F375 HydrophobicContact CG2-CB 4.23Å; V357-F375 HydrophobicContact CG2-CD1 3.55Å; V357-F375 HydrophobicContact CG2-CD2 3.8Å; V357-F375 HydrophobicContact CG2-CE1 3.81Å; V357-F375 HydrophobicContact CG2-CE2 4.03Å; V357-F375 HydrophobicContact CG2-CG 3.57Å; V357-F375 HydrophobicContact CG2-CZ 4.05Å; V357-R437 VanDerWaalsContact O-CZ 3.3Å; V357-R437 PolarHBondContact O-NH1 3.44Å; V357-R437 PolarHBondContact O-NH2 3.49Å
358G91.6Very high85.4Confident54 Ų5453 Ų5356%0.55731%0.308SS*.EExtended strand (participates in β ladder)trans74.223.4-171.600000112.9Y356Y356-G358 VanDerWaalsContact C-N 3.25Å; Y356-G358 PolarHBondContact O-N 2.86Å
359M92.7Very high85.3Confident50 Ų5051.3 Ų51.325%0.24629%0.291CS..EExtended strand (participates in β ladder)trans-121.2134.9178.8-67.2174.5160.700110Y356 V357 A373 I430 A433 M434 R437Y356-M359 PolarHBondContact OH-O 3.32Å; V357-M359 VanDerWaalsContact C-N 3.3Å; V357-M359 HydrophobicContact CG1-CG 4.06Å; V357-M359 HydrophobicContact CG1-SD 3.76Å; M359-A373 HydrophobicContact CB-CB 3.91Å; M359-A373 PolarHBondContact O-N 3.04Å; M359-I430 HydrophobicContact CB-CD1 4.3Å; M359-I430 HydrophobicContact CB-CG1 4.43Å; M359-A433 HydrophobicContact CE-CB 4.02Å; M359-A433 HydrophobicContact SD-CB 4.16Å; M359-M434 HydrophobicContact SD-CG 4.48Å; M359-R437 HydrophobicContact CE-CB 4.35Å
360S91.5Very high85.2Confident74 Ų7454.3 Ų54.352%0.51731%0.306SS..EExtended strand (participates in β ladder)trans-143150.5170.463.40000111.3M371S360-M371 CarbonylContact C-O 3.59Å; S360-M371 WeakPolarHBondContact CA-O 3.35Å; S360-M371 WeakPolarHBondContact CB-O 3.32Å
361Q87.4Confident85.3Confident36 Ų3648.7 Ų48.717%0.16828%0.276CS..EExtended strand (participates in β ladder)trans-150.3132.1-179-173.9175.257.700110.8W363 M371 G428 I430Q361-W363 PolarHBondContact O-N 3.03Å; Q361-M371 PolarHBondContact N-O 2.96Å; Q361-M371 WeakPolarHBondContact O-CB 3.21Å; Q361-M371 PolarHBondContact O-N 2.72Å; Q361-G428 PolarHBondContact NE2-O 2.76Å; Q361-I430 HydrophobicContact CB-CB 3.87Å; Q361-I430 HydrophobicContact CB-CD1 3.98Å; Q361-I430 HydrophobicContact CB-CG1 4.39Å; Q361-I430 HydrophobicContact CB-CG2 4.37Å
362A82.8Confident85.6Confident56 Ų5648.5 Ų48.546%0.46328%0.275SS..EExtended strand (participates in β ladder)trans-65.8129.5168.400000110.1S369A362-S369 CarbonylContact C-O 3.51Å; A362-S369 WeakPolarHBondContact CA-O 3.44Å
363W81.8Confident86.1Confident54 Ų5443.7 Ų43.721%0.20525%0.249CC..EExtended strand (participates in β ladder)trans-121.4129.3-178-165-118.6000111.7L114 Q361 F365 S369 M371 V429L114-W363 HydrophobicContact CD2-CH2 3.61Å; L114-W363 HydrophobicContact CD2-CZ2 4.41Å; L114-W363 HydrophobicContact CD2-CZ3 4.16Å; Q361-W363 PolarHBondContact O-N 3.03Å; W363-F365 VanDerWaalsContact CD1-O 3.28Å; W363-F365 PolarHBondContact O-N 3.2Å; W363-F365 VanDerWaalsContact O-N 3.13Å; W363-S369 PolarHBondContact N-O 3.36Å; W363-S369 PolarHBondContact O-N 3.38Å; W363-M371 HydrophobicContact CB-CG 3.59Å; W363-M371 HydrophobicContact CB-SD 4.19Å; W363-M371 HydrophobicContact CG-CG 4.25Å; W363-V429 HydrophobicContact CH2-CB 4.13Å; W363-V429 HydrophobicContact CH2-CG1 3.76Å; W363-V429 HydrophobicContact CZ3-CB 3.95Å; W363-V429 HydrophobicContact CZ3-CG1 3.75Å
364P70.2Confident86.3Confident0 Ų041.6 Ų41.60%023%0.232CC..  trans-79.86.8-170.931.3-36.1000115.1F110 R130 N131F110-P364 HydrophobicContact CE1-CG 3.78Å; F110-P364 HydrophobicContact CZ-CG 4.04Å; R130-P364 HydrophobicContact CB-CB 4.25Å; R130-P364 HydrophobicContact CG-CB 3.87Å; N131-P364 WeakPolarHBondContact OD1-CA 3.3Å; N131-P364 WeakPolarHBondContact OD1-CB 3.38Å
365F68.1Low86.5Confident10 Ų1040 Ų404%0.04422%0.223CC..SBendtrans-134.2150.8-177-64.3-87.7000113.1F110 R111 R130 W363 S369F110-F365 HydrophobicContact CB-CZ 4.17Å; F110-F365 AromaticContact CD1-CE2 3.31Å; F110-F365 HydrophobicContact CD1-CE2 3.31Å; F110-F365 AromaticContact CD1-CZ 3.41Å; F110-F365 HydrophobicContact CD1-CZ 3.41Å; F110-F365 VanDerWaalsContact CD1-CZ 3.41Å; F110-F365 AromaticContact CE1-CE2 3.61Å; F110-F365 HydrophobicContact CE1-CE2 3.61Å; F110-F365 HydrophobicContact CE1-CZ 4.16Å; F110-F365 HydrophobicContact CG-CE2 4.42Å; F110-F365 HydrophobicContact CG-CZ 4.15Å; R111-F365 HydrophobicContact CG-CE1 4.23Å; R111-F365 HydrophobicContact CG-CE2 3.75Å; R111-F365 HydrophobicContact CG-CZ 3.53Å; R111-F365 VanDerWaalsContact CZ-CD1 3.49Å; R111-F365 VanDerWaalsContact NH1-CE1 3.3Å; R130-F365 VanDerWaalsContact CZ-CE1 3.47Å; R130-F365 VanDerWaalsContact CZ-CZ 3.41Å; R130-F365 VanDerWaalsContact NE-CZ 3.34Å; W363-F365 VanDerWaalsContact CD1-O 3.28Å; W363-F365 PolarHBondContact O-N 3.2Å; W363-F365 VanDerWaalsContact O-N 3.13Å; F365-S369 PolarHBondContact O-OG 2.92Å
366P67.7Low86.5Confident65 Ų6536.1 Ų36.142%0.42221%0.205SC..SBendcis-69.9-23.9-27.622-33.7000114.1F210F210-P366 HydrophobicContact CE2-CG 3.42Å; F210-P366 VanDerWaalsContact CE2-CG 3.42Å; F210-P366 VanDerWaalsContact CZ-CD 3.44Å; F210-P366 HydrophobicContact CZ-CG 3.5Å; F210-P366 VanDerWaalsContact CZ-CG 3.5Å
367H67.3Low86.5Confident118 Ų11832.5 Ų32.555%0.54619%0.192SC..SBendtrans-126.829.6-164.3-67.9-68.5000115.8F210F210-H367 HydrophobicContact CZ-CB 4.43Å
368N77Confident86.6Confident14 Ų1432.6 Ų32.68%0.07519%0.192CC..  trans6266.8-173.6-170.140.5000111.1N131 I135 P174 V175 S176N131-N368 VanDerWaalsContact CG-OD1 3.27Å; N131-N368 PolarHBondContact ND2-OD1 3.11Å; N131-N368 PolarHBondContact OD1-OD1 3.29Å; I135-N368 HydrophobicContact CB-CB 4.45Å; I135-N368 HydrophobicContact CD1-CB 3.73Å; I135-N368 HydrophobicContact CG1-CB 4.16Å; I135-N368 HydrophobicContact CG2-CB 3.92Å; P174-N368 PolarHBondContact O-ND2 3.29Å; V175-N368 VanDerWaalsContact CA-O 3.3Å; V175-N368 WeakPolarHBondContact CA-O 3.48Å; S176-N368 PolarHBondContact N-O 3.12Å
369S85.7Confident86.3Confident2 Ų233.3 Ų33.31%0.01419%0.193CC..EExtended strand (participates in β ladder)trans-87.7151.8-171.4-40.20000111.9S176 F210 A362 W363 F365S176-S369 CarbonylContact O-C 3.48Å; S176-S369 WeakPolarHBondContact O-CA 3.27Å; S176-S369 WeakPolarHBondContact O-CB 3.22Å; F210-S369 WeakPolarHBondContact CE1-OG 3.46Å; F210-S369 WeakPolarHBondContact CZ-OG 3.35Å; A362-S369 CarbonylContact C-O 3.51Å; A362-S369 WeakPolarHBondContact CA-O 3.44Å; W363-S369 PolarHBondContact N-O 3.36Å; W363-S369 PolarHBondContact O-N 3.38Å; F365-S369 PolarHBondContact O-OG 2.92Å
370L88.7Confident86Confident67 Ų6734.9 Ų34.935%0.35120%0.203SC..EExtended strand (participates in β ladder)trans-103.5108.7162.6177.162.3000108.1V175 S176 A178V175-L370 HydrophobicContact CG1-CB 3.58Å; S176-L370 PolarHBondContact O-N 3.35Å; A178-L370 PolarHBondContact N-O 2.84Å; A178-L370 VanDerWaalsContact O-O 3.06Å
371M92.5Very high85.4Confident15 Ų1533.7 Ų33.77%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-79.4125.8177.2-55.3-63.5-70.400109.3A178 I180 A208 S360 Q361 W363 I430A178-M371 HydrophobicContact CB-SD 3.68Å; A178-M371 CarbonylContact O-C 3.52Å; A178-M371 WeakPolarHBondContact O-CA 3.17Å; I180-M371 HydrophobicContact CB-CE 3.59Å; I180-M371 HydrophobicContact CD1-CE 4.01Å; I180-M371 HydrophobicContact CG1-CE 4.25Å; I180-M371 HydrophobicContact CG2-CB 4.19Å; I180-M371 HydrophobicContact CG2-CE 4.06Å; A208-M371 HydrophobicContact CB-CE 3.55Å; S360-M371 CarbonylContact C-O 3.59Å; S360-M371 WeakPolarHBondContact CA-O 3.35Å; S360-M371 WeakPolarHBondContact CB-O 3.32Å; Q361-M371 PolarHBondContact N-O 2.96Å; Q361-M371 WeakPolarHBondContact O-CB 3.21Å; Q361-M371 PolarHBondContact O-N 2.72Å; W363-M371 HydrophobicContact CB-CG 3.59Å; W363-M371 HydrophobicContact CB-SD 4.19Å; W363-M371 HydrophobicContact CG-CG 4.25Å; M371-I430 HydrophobicContact CB-CD1 4.17Å; M371-I430 HydrophobicContact CB-CG2 4.14Å; M371-I430 HydrophobicContact CG-CG2 4.46Å
372C95.7Very high85.1Confident14 Ų1438.2 Ų38.210%0.09522%0.22CC..EExtended strand (participates in β ladder)trans-112.6121.8172.5-68.50000109.1A178 I180 L335 Y356 F374A178-C372 PolarHBondContact O-N 3Å; I180-C372 PolarHBondContact N-O 3.49Å; L335-C372 HydrophobicContact CD1-CB 4.02Å; Y356-C372 HydrophobicContact CE2-CB 4.37Å; C372-F374 HydrophobicContact CB-CE2 3.96Å; C372-F374 VanDerWaalsContact O-CD2 3.3Å; C372-F374 WeakPolarHBondContact O-CD2 3.32Å; C372-F374 WeakPolarHBondContact O-CE2 3.35Å
373A97.5Very high85.1Confident0 Ų036.5 Ų36.50%021%0.205CC..EExtended strand (participates in β ladder)trans-90.3132.3-171.300000113.4I180 Y356 V357 M359 I430 M434I180-A373 HydrophobicContact CG2-CB 4.01Å; I180-A373 CarbonylContact O-C 3.47Å; I180-A373 WeakPolarHBondContact O-CA 3.47Å; Y356-A373 WeakPolarHBondContact CD2-O 3.35Å; V357-A373 HydrophobicContact CB-CB 4.2Å; V357-A373 HydrophobicContact CG2-CB 4.38Å; V357-A373 PolarHBondContact N-O 2.86Å; M359-A373 HydrophobicContact CB-CB 3.91Å; M359-A373 PolarHBondContact O-N 3.04Å; A373-I430 HydrophobicContact CB-CD1 3.84Å; A373-I430 HydrophobicContact CB-CG1 4.2Å; A373-M434 HydrophobicContact CB-CE 3.85Å; A373-M434 HydrophobicContact CB-CG 3.81Å; A373-M434 HydrophobicContact CB-SD 3.62Å
374F97.9Very high85.3Confident3 Ų344.7 Ų44.71%0.01324%0.236CC..EExtended strand (participates in β ladder)trans-125.7149.8175.9-61.1-91.9000111.3A179 I180 V181 L182 L335 E336 A339 L354 E355 Y356 C372 M434A179-F374 HydrophobicContact CB-CD2 4.24Å; A179-F374 HydrophobicContact CB-CE2 4.17Å; I180-F374 PolarHBondContact O-N 2.93Å; V181-F374 WeakPolarHBondContact CA-O 3.34Å; V181-F374 HydrophobicContact CG1-CB 4.36Å; V181-F374 HydrophobicContact CG2-CB 4.39Å; L182-F374 PolarHBondContact N-O 2.92Å; L335-F374 HydrophobicContact CB-CE2 4.09Å; L335-F374 HydrophobicContact CB-CZ 3.8Å; E336-F374 HydrophobicContact CG-CE1 4.08Å; A339-F374 HydrophobicContact CB-CD2 4.15Å; A339-F374 HydrophobicContact CB-CG 4.35Å; L354-F374 HydrophobicContact CD1-CB 3.79Å; L354-F374 HydrophobicContact CD1-CG 4.41Å; L354-F374 HydrophobicContact CD2-CB 4.42Å; L354-F374 HydrophobicContact CD2-CD1 3.76Å; L354-F374 HydrophobicContact CD2-CE1 4.25Å; L354-F374 HydrophobicContact CD2-CG 4.16Å; L354-F374 HydrophobicContact CG-CB 4.05Å; L354-F374 HydrophobicContact CG-CD1 3.92Å; L354-F374 HydrophobicContact CG-CG 4.25Å; E355-F374 CarbonylContact O-C 3.6Å; E355-F374 VanDerWaalsContact O-CA 3.25Å; E355-F374 WeakPolarHBondContact O-CA 3.44Å; Y356-F374 HydrophobicContact CD2-CD1 4.26Å; Y356-F374 AromaticContact CD2-CE1 3.94Å; Y356-F374 HydrophobicContact CD2-CE1 3.94Å; Y356-F374 HydrophobicContact CD2-CZ 4.09Å; Y356-F374 HydrophobicContact CG-CE1 4.33Å; C372-F374 HydrophobicContact CB-CE2 3.96Å; C372-F374 VanDerWaalsContact O-CD2 3.3Å; C372-F374 WeakPolarHBondContact O-CD2 3.32Å; C372-F374 WeakPolarHBondContact O-CE2 3.35Å; F374-M434 VanDerWaalsContact O-CE 3.24Å; F374-M434 WeakPolarHBondContact O-CE 3.28Å
375F97.4Very high86.3Confident13 Ų1346.7 Ų46.76%0.05725%0.247CC..EExtended strand (participates in β ladder)trans-101.4125.6162.1-73-19.2000108.3L182 M184 L354 E355 V357 M434 R437 W438L182-F375 HydrophobicContact CB-CD1 3.88Å; L182-F375 HydrophobicContact CB-CE1 4.1Å; L182-F375 HydrophobicContact CD2-CD1 4.38Å; L182-F375 HydrophobicContact CD2-CE1 3.92Å; M184-F375 HydrophobicContact CE-CB 3.76Å; M184-F375 HydrophobicContact CE-CG 4.2Å; L354-F375 CarbonylContact C-O 3.59Å; L354-F375 WeakPolarHBondContact CA-O 3.29Å; E355-F375 PolarHBondContact N-O 3.14Å; E355-F375 PolarHBondContact O-N 3.15Å; V357-F375 HydrophobicContact CG1-CE1 4.44Å; V357-F375 HydrophobicContact CG1-CE2 4.16Å; V357-F375 HydrophobicContact CG1-CZ 4.05Å; V357-F375 HydrophobicContact CG2-CB 4.23Å; V357-F375 HydrophobicContact CG2-CD1 3.55Å; V357-F375 HydrophobicContact CG2-CD2 3.8Å; V357-F375 HydrophobicContact CG2-CE1 3.81Å; V357-F375 HydrophobicContact CG2-CE2 4.03Å; V357-F375 HydrophobicContact CG2-CG 3.57Å; V357-F375 HydrophobicContact CG2-CZ 4.05Å; F375-M434 HydrophobicContact CE1-CB 4.25Å; F375-R437 HydrophobicContact CE2-CG 4.23Å; F375-R437 HydrophobicContact CZ-CB 4.14Å; F375-R437 HydrophobicContact CZ-CG 4.12Å; F375-W438 HydrophobicContact CE1-CB 4.42Å; F375-W438 HydrophobicContact CZ-CB 4.12Å
376G96.1Very high87.1Confident1 Ų150.2 Ų50.21%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-106143.217400000110.1L182 V183 M184 A353L182-G376 PolarHBondContact O-N 3.4Å; V183-G376 CarbonylContact C-O 3.31Å; V183-G376 WeakPolarHBondContact CA-O 3.5Å; M184-G376 PolarHBondContact N-O 3.29Å; A353-G376 CarbonylContact O-C 3.57Å; A353-G376 WeakPolarHBondContact O-CA 3.29Å
377Q94.9Very high87.6Confident35 Ų3548.7 Ų48.716%0.16426%0.256CS..EExtended strand (participates in β ladder)trans-121.6138.3171.2-171.2162.845.800110.1M184 D185 S186 V351 N352 A353M184-Q377 WeakPolarHBondContact O-CA 3.37Å; D185-Q377 PolarHBondContact O-NE2 2.71Å; S186-Q377 VanDerWaalsContact C-NE2 3.29Å; S186-Q377 VanDerWaalsContact CA-NE2 3.28Å; S186-Q377 PolarHBondContact O-NE2 3.26Å; V351-Q377 WeakPolarHBondContact CA-O 3.33Å; N352-Q377 PolarHBondContact N-O 3.45Å; N352-Q377 PolarHBondContact OD1-O 3.01Å; A353-Q377 HydrophobicContact CB-CB 4.32Å; A353-Q377 PolarHBondContact O-N 3.1Å
378V93.3Very high87.6Confident3 Ų351.1 Ų51.12%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-95.9149.3170.5-59.50000110.6V183 M184 S186 L349 D380 A383 W396V183-V378 HydrophobicContact CG1-CG1 3.81Å; M184-V378 PolarHBondContact O-N 2.96Å; S186-V378 PolarHBondContact N-O 3.17Å; L349-V378 HydrophobicContact CB-CG1 4.1Å; L349-V378 HydrophobicContact CD1-CG1 4.12Å; V378-D380 WeakPolarHBondContact CG2-O 3.49Å; V378-A383 HydrophobicContact CG2-CB 4.38Å; V378-W396 HydrophobicContact CG2-CH2 3.84Å; V378-W396 HydrophobicContact CG2-CZ2 4.21Å
379A85.9Confident86.9Confident69 Ų6957.7 Ų57.757%0.5730%0.303SS*.SBendtrans-68.9-46178.900000112.5N352N352-A379 HydrophobicContact CB-CB 4.47Å; N352-A379 VanDerWaalsContact ND2-CA 3.28Å; N352-A379 WeakPolarHBondContact ND2-CA 3.36Å; N352-A379 VanDerWaalsContact ND2-CB 3.28Å; N352-A379 WeakPolarHBondContact ND2-CB 3.45Å; N352-A379 PolarHBondContact ND2-N 3.47Å
380D85.8Confident86.2Confident84 Ų8459.2 Ų59.245%0.44931%0.314SS..  trans-95.3120.5-177.2-178.312.6000110.9V378 N382 A383V378-D380 WeakPolarHBondContact CG2-O 3.49Å; D380-N382 PolarHBondContact O-N 3.07Å; D380-N382 WeakPolarHBondContact OD1-CB 3.27Å; D380-N382 PolarHBondContact OD1-N 3.17Å; D380-A383 HydrophobicContact CB-CB 4.46Å; D380-A383 WeakPolarHBondContact O-CB 3.26Å; D380-A383 PolarHBondContact O-N 3.38Å
381S80.7Confident85.7Confident49 Ų4958.8 Ų58.834%0.34333%0.325SS..THydrogen-bonded Turntrans-65.9-17.4174.7-38.70000113.1S186S186-S381 PolarHBondContact OG-OG 2.92Å
382N80.9Confident85.5Confident131 Ų13159 Ų5970%0.70133%0.326SS*.THydrogen-bonded Turntrans-98.112.2177.9-57.9-62.6000113.1D380 R384D380-N382 PolarHBondContact O-N 3.07Å; D380-N382 WeakPolarHBondContact OD1-CB 3.27Å; D380-N382 PolarHBondContact OD1-N 3.17Å; N382-R384 PolarHBondContact O-N 3.43Å; N382-R384 VanDerWaalsContact O-N 3.15Å
383A82.5Confident85.2Confident20 Ų2064.1 Ų64.117%0.16535%0.347CS..PPolyproline II helixtrans-54.2122.6-179.200000110.8L349 V378 D380 W396L349-A383 HydrophobicContact CD2-CB 3.54Å; V378-A383 HydrophobicContact CG2-CB 4.38Å; D380-A383 HydrophobicContact CB-CB 4.46Å; D380-A383 WeakPolarHBondContact O-CB 3.26Å; D380-A383 PolarHBondContact O-N 3.38Å; A383-W396 PolarHBondContact O-NE1 2.95Å; A383-W396 VanDerWaalsContact O-NE1 3.08Å
384R86.3Confident85Confident226 Ų22664.9 Ų64.985%0.85335%0.353SS*.PPolyproline II helixtrans-80.8135.2-178.8-67.2-174.6178.3-178.70.6109N382N382-R384 PolarHBondContact O-N 3.43Å; N382-R384 VanDerWaalsContact O-N 3.15Å
385L90.1Very high84.8Confident42 Ų4269 Ų6922%0.2237%0.372CS..PPolyproline II helixtrans-77133.8173-59.6170.5000108.9V192 V347 L349 A394 W396V192-L385 HydrophobicContact CG1-CD1 4.44Å; V192-L385 HydrophobicContact CG1-CD2 3.84Å; V192-L385 HydrophobicContact CG2-CD2 3.93Å; V347-L385 HydrophobicContact CB-CD2 4.06Å; V347-L385 HydrophobicContact CG2-CD2 4.46Å; L349-L385 HydrophobicContact CD1-CD2 3.62Å; L349-L385 HydrophobicContact CD2-CD2 4.27Å; L349-L385 HydrophobicContact CG-CD2 3.97Å; L385-A394 HydrophobicContact CD1-CB 4Å; L385-W396 HydrophobicContact CD1-CG 4.34Å
386D85.2Confident84.7Confident83 Ų8371.4 Ų71.444%0.44438%0.381SS..  trans-123.981.8170.6-174.57.1000110.3V347 E388V347-D386 CarbonylContact C-O 3.51Å; V347-D386 PolarHBondContact O-N 2.91Å; D386-E388 VanDerWaalsContact C-N 3.28Å; D386-E388 PolarHBondContact O-N 3.5Å; D386-E388 WeakPolarHBondContact OD1-CB 3.39Å; D386-E388 WeakPolarHBondContact OD1-CG 3.23Å; D386-E388 PolarHBondContact OD1-N 3.19Å
387P78.7Confident84.7Confident33 Ų3372.2 Ų72.221%0.21438%0.384CS..  trans-87.313.5179.136.5-36000113.1N389 S390 A394P387-N389 PolarHBondContact O-N 3.45Å; P387-S390 PolarHBondContact O-N 2.81Å; P387-S390 VanDerWaalsContact O-N 3.16Å; P387-S390 PolarHBondContact O-OG 3.49Å; P387-S390 VanDerWaalsContact O-OG 3.07Å; P387-A394 HydrophobicContact CB-CB 4.1Å; P387-A394 HydrophobicContact CG-CB 4.35Å
388E66.8Low84.7Confident170 Ų17073 Ų7379%0.79439%0.392SS*.THydrogen-bonded Turntrans-59.7-34-170.6-73.6-168.7173.400112.9D386D386-E388 VanDerWaalsContact C-N 3.28Å; D386-E388 PolarHBondContact O-N 3.5Å; D386-E388 WeakPolarHBondContact OD1-CB 3.39Å; D386-E388 WeakPolarHBondContact OD1-CG 3.23Å; D386-E388 PolarHBondContact OD1-N 3.19Å
389N62.8Low84.8Confident152 Ų15274.7 Ų74.781%0.81340%0.4SS*.THydrogen-bonded Turntrans-78.2-17.4-178.4-67.7-34.3000114.4P387P387-N389 PolarHBondContact O-N 3.45Å
390S70.6Confident85.3Confident34 Ų3475.3 Ų75.324%0.23839%0.393CS..THydrogen-bonded Turntrans-99-19.3-171.862.50000115.2E346 P387 L392E346-S390 PolarHBondContact O-OG 3.12Å; E346-S390 VanDerWaalsContact O-OG 3.05Å; E346-S390 WeakPolarHBondContact OE2-CB 3.3Å; E346-S390 PolarHBondContact OE2-OG 3.03Å; P387-S390 PolarHBondContact O-N 2.81Å; P387-S390 VanDerWaalsContact O-N 3.16Å; P387-S390 PolarHBondContact O-OG 3.49Å; P387-S390 VanDerWaalsContact O-OG 3.07Å; S390-L392 PolarHBondContact O-N 3.08Å; S390-L392 PolarHBondContact OG-N 3.19Å
391G78.7Confident85.7Confident57 Ų5773.9 Ų73.959%0.58839%0.388SS*.THydrogen-bonded Turntrans67.112.7-172.700000113.7
392L87.2Confident86.5Confident19 Ų1971.6 Ų71.610%0.09937%0.372CS..  trans-92.8164.9176.3-52.8-171.5000111.2I194 H196 E346 S390I194-L392 HydrophobicContact CB-CD1 4.49Å; I194-L392 HydrophobicContact CD1-CD1 3.76Å; H196-L392 HydrophobicContact CB-CD2 4.21Å; H196-L392 WeakPolarHBondContact ND1-CD2 3.44Å; E346-L392 WeakPolarHBondContact OE2-CD1 3.31Å; S390-L392 PolarHBondContact O-N 3.08Å; S390-L392 PolarHBondContact OG-N 3.19Å
393K90.6Very high87.2Confident123 Ų12370 Ų7054%0.53536%0.358SS..EExtended strand (participates in β ladder)trans-100118.7164.9-65.9-172.6176.7-170.30108.8I194 R195 Y204I194-K393 CarbonylContact C-O 3.51Å; I194-K393 VanDerWaalsContact CA-O 3.26Å; I194-K393 WeakPolarHBondContact CA-O 3.37Å; R195-K393 HydrophobicContact CB-CB 4.33Å; R195-K393 PolarHBondContact N-O 3.49Å; R195-K393 PolarHBondContact O-N 3.15Å; R195-K393 VanDerWaalsContact O-N 3.07Å; Y204-K393 HydrophobicContact CE1-CB 4.44Å
394A92.7Very high87.6Confident16 Ų1674.7 Ų74.713%0.13238%0.375CS..EExtended strand (participates in β ladder)trans-110.6138.3172.700000110.1I194 V347 L385 P387I194-A394 HydrophobicContact CG2-CB 4Å; V347-A394 HydrophobicContact CB-CB 4.4Å; V347-A394 HydrophobicContact CG1-CB 3.59Å; L385-A394 HydrophobicContact CD1-CB 4Å; P387-A394 HydrophobicContact CB-CB 4.1Å; P387-A394 HydrophobicContact CG-CB 4.35Å
395Q93.6Very high87.9Confident88 Ų8864.3 Ų64.341%0.41134%0.337SS..EExtended strand (participates in β ladder)trans-145.6145.3175.6-67.7-1787.600110.9V192 L193 Y204 F397V192-Q395 WeakPolarHBondContact CA-O 3.42Å; L193-Q395 PolarHBondContact N-O 2.83Å; L193-Q395 PolarHBondContact O-N 2.73Å; Y204-Q395 HydrophobicContact CE1-CG 4.46Å; Y204-Q395 PolarHBondContact OH-NE2 2.78Å; Q395-F397 HydrophobicContact CB-CD2 4.28Å; Q395-F397 HydrophobicContact CB-CE2 3.61Å; Q395-F397 HydrophobicContact CB-CZ 3.78Å; Q395-F397 WeakPolarHBondContact O-CD2 3.2Å
396W95.1Very high88Confident64 Ų6462.9 Ų62.924%0.24233%0.33CS..EExtended strand (participates in β ladder)trans-76.9130.2164.6-73.5104.7000109.8D185 N190 V191 V192 L349 V378 A383 L385D185-W396 HydrophobicContact CB-CH2 4.28Å; D185-W396 HydrophobicContact CB-CZ3 4.05Å; N190-W396 HydrophobicContact CB-CE3 3.82Å; N190-W396 HydrophobicContact CB-CZ3 4.27Å; V191-W396 CarbonylContact O-C 3Å; V191-W396 WeakPolarHBondContact O-CA 3.3Å; V192-W396 HydrophobicContact CG2-CD2 3.59Å; V192-W396 HydrophobicContact CG2-CE3 3.55Å; V192-W396 HydrophobicContact CG2-CG 4.41Å; V192-W396 HydrophobicContact CG2-CH2 3.47Å; V192-W396 VanDerWaalsContact CG2-CH2 3.47Å; V192-W396 HydrophobicContact CG2-CZ2 3.5Å; V192-W396 HydrophobicContact CG2-CZ3 3.5Å; V192-W396 VanDerWaalsContact CG2-CZ3 3.5Å; L349-W396 HydrophobicContact CD1-CH2 4.39Å; L349-W396 HydrophobicContact CD1-CZ2 3.84Å; V378-W396 HydrophobicContact CG2-CH2 3.84Å; V378-W396 HydrophobicContact CG2-CZ2 4.21Å; A383-W396 PolarHBondContact O-NE1 2.95Å; A383-W396 VanDerWaalsContact O-NE1 3.08Å; L385-W396 HydrophobicContact CD1-CG 4.34Å
397F95.8Very high88.2Confident18 Ų1864.9 Ų64.98%0.07934%0.336CS..EExtended strand (participates in β ladder)trans-119.8126.9176.5-68.3-80.5000110.9N190 V191 L193 Y204 Q395 V401 V402 L422N190-F397 WeakPolarHBondContact CA-O 3.29Å; V191-F397 HydrophobicContact CG1-CB 4.33Å; V191-F397 PolarHBondContact N-O 2.84Å; V191-F397 PolarHBondContact O-N 2.96Å; L193-F397 HydrophobicContact CB-CD2 3.84Å; L193-F397 HydrophobicContact CB-CE2 3.89Å; L193-F397 HydrophobicContact CD1-CD2 3.82Å; L193-F397 HydrophobicContact CD1-CE2 4.3Å; L193-F397 HydrophobicContact CD1-CG 4.42Å; L193-F397 HydrophobicContact CG-CD2 3.97Å; L193-F397 HydrophobicContact CG-CE2 4.47Å; Y204-F397 AromaticContact CD1-CE2 3.76Å; Y204-F397 HydrophobicContact CD1-CE2 3.76Å; Y204-F397 HydrophobicContact CD1-CZ 4Å; Y204-F397 HydrophobicContact CD2-CZ 4.2Å; Y204-F397 HydrophobicContact CE1-CE2 4.07Å; Y204-F397 HydrophobicContact CE1-CZ 4Å; Y204-F397 HydrophobicContact CE2-CZ 4.23Å; Y204-F397 HydrophobicContact CG-CE2 4.04Å; Y204-F397 HydrophobicContact CG-CZ 4.11Å; Q395-F397 HydrophobicContact CB-CD2 4.28Å; Q395-F397 HydrophobicContact CB-CE2 3.61Å; Q395-F397 HydrophobicContact CB-CZ 3.78Å; Q395-F397 WeakPolarHBondContact O-CD2 3.2Å; F397-V401 HydrophobicContact CD1-CG1 4.39Å; F397-V402 HydrophobicContact CB-CG2 3.54Å; F397-V402 HydrophobicContact CG-CG2 4.49Å; F397-L422 HydrophobicContact CD1-CD1 4.3Å; F397-L422 HydrophobicContact CD1-CD2 3.68Å; F397-L422 HydrophobicContact CD1-CG 4.48Å; F397-L422 HydrophobicContact CE1-CB 4.45Å; F397-L422 HydrophobicContact CE1-CD1 3.86Å; F397-L422 HydrophobicContact CE1-CD2 4Å; F397-L422 HydrophobicContact CE1-CG 4.31Å; F397-L422 HydrophobicContact CE2-CD1 4.22Å; F397-L422 HydrophobicContact CG-CD2 4.1Å; F397-L422 HydrophobicContact CZ-CD1 3.81Å
398P95.8Very high88.3Confident51 Ų5169 Ų6933%0.33135%0.351SS..EExtended strand (participates in β ladder)trans-64.4147.6171.9-23.334.5000112.6N190 D400 V401 V402N190-P398 WeakPolarHBondContact OD1-CA 3.38Å; P398-D400 VanDerWaalsContact C-N 3.26Å; P398-D400 WeakPolarHBondContact CB-OD1 3.45Å; P398-D400 PolarHBondContact O-N 2.81Å; P398-V401 HydrophobicContact CB-CG2 4.22Å; P398-V401 HydrophobicContact CG-CG2 4.25Å; P398-V401 WeakPolarHBondContact O-CB 3.12Å; P398-V401 PolarHBondContact O-N 2.86Å; P398-V402 PolarHBondContact O-N 2.92Å; P398-V402 VanDerWaalsContact O-N 3.1Å
399K95.9Very high88.8Confident40 Ų4061.3 Ų61.317%0.17432%0.316CS..Hα-helixtrans-54.5-37.3-178.3-162.6169.3-171.4170.90113.1Q189 K403 W438 L439 F441Q189-K399 WeakPolarHBondContact O-CB 3.1Å; Q189-K399 PolarHBondContact O-N 3.03Å; K399-K403 VanDerWaalsContact O-CB 3.29Å; K399-K403 WeakPolarHBondContact O-CB 3.34Å; K399-K403 PolarHBondContact O-N 2.94Å; K399-W438 HydrophobicContact CB-CH2 3.84Å; K399-W438 HydrophobicContact CB-CZ2 4.02Å; K399-W438 HydrophobicContact CD-CZ2 4.27Å; K399-W438 VanDerWaalsContact CE-O 3.3Å; K399-W438 WeakPolarHBondContact CE-O 3.32Å; K399-W438 HydrophobicContact CG-CH2 3.83Å; K399-W438 HydrophobicContact CG-CZ2 3.95Å; K399-W438 HydrophobicContact CG-CZ3 4.28Å; K399-W438 PolarHBondContact NZ-O 2.87Å; K399-L439 VanDerWaalsContact CE-O 3.23Å; K399-L439 WeakPolarHBondContact CE-O 3.48Å; K399-L439 HydrophobicContact CG-CD2 3.88Å; K399-L439 PolarHBondContact NZ-O 3.19Å; K399-F441 PolarHBondContact NZ-OXT 3.35Å; K399-F441 VanDerWaalsContact NZ-OXT 3.15Å
400D95.5Very high88.9Confident81 Ų8156.2 Ų56.243%0.43330%0.295SS..Hα-helixtrans-69.1-36.8178.679-66000112.9P398 K403 K404P398-D400 VanDerWaalsContact C-N 3.26Å; P398-D400 WeakPolarHBondContact CB-OD1 3.45Å; P398-D400 PolarHBondContact O-N 2.81Å; D400-K403 PolarHBondContact O-N 2.99Å; D400-K404 WeakPolarHBondContact O-CG 3.28Å; D400-K404 PolarHBondContact O-N 2.7Å; D400-K404 VanDerWaalsContact O-N 3.07Å; D400-K404 IonicContact OD2-NZ 2.58Å; D400-K404 PolarHBondContact OD2-NZ 3.18Å
401V95.3Very high88.3Confident55 Ų5559.1 Ų59.133%0.33331%0.308SS..Hα-helixtrans-67-45.3176.71790000110F397 P398 K403 K404 A405 L422F397-V401 HydrophobicContact CD1-CG1 4.39Å; P398-V401 HydrophobicContact CB-CG2 4.22Å; P398-V401 HydrophobicContact CG-CG2 4.25Å; P398-V401 WeakPolarHBondContact O-CB 3.12Å; P398-V401 PolarHBondContact O-N 2.86Å; V401-K403 VanDerWaalsContact C-N 3.34Å; V401-K403 PolarHBondContact O-N 3.49Å; V401-K404 PolarHBondContact O-N 3.11Å; V401-A405 PolarHBondContact O-N 2.85Å; V401-A405 VanDerWaalsContact O-N 3.12Å; V401-L422 HydrophobicContact CG1-CD2 3.99Å
402V96Very high87.2Confident1 Ų157.8 Ų57.81%0.00629%0.288CS..Hα-helixtrans-65.2-39.5176.8-176.10000111V191 F397 P398 K404 A405 F406 L422 L424 I435 W438 L439V191-V402 HydrophobicContact CG1-CG2 3.85Å; F397-V402 HydrophobicContact CB-CG2 3.54Å; F397-V402 HydrophobicContact CG-CG2 4.49Å; P398-V402 PolarHBondContact O-N 2.92Å; P398-V402 VanDerWaalsContact O-N 3.1Å; V402-K404 PolarHBondContact O-N 2.7Å; V402-A405 WeakPolarHBondContact O-CB 3.19Å; V402-A405 PolarHBondContact O-N 3.35Å; V402-F406 WeakPolarHBondContact O-CB 3.46Å; V402-F406 PolarHBondContact O-N 3.3Å; V402-L422 HydrophobicContact CG2-CD2 4.21Å; V402-L424 HydrophobicContact CG1-CD1 3.94Å; V402-L424 HydrophobicContact CG1-CD2 4.23Å; V402-I435 HydrophobicContact CG1-CG2 3.59Å; V402-W438 HydrophobicContact CB-CH2 4.39Å; V402-W438 HydrophobicContact CB-CZ3 3.81Å; V402-W438 HydrophobicContact CG1-CZ3 3.81Å; V402-W438 HydrophobicContact CG2-CH2 4.23Å; V402-W438 HydrophobicContact CG2-CZ3 3.98Å; V402-L439 HydrophobicContact CB-CD2 4.32Å; V402-L439 HydrophobicContact CG1-CD1 4.36Å; V402-L439 HydrophobicContact CG1-CD2 4.26Å
403K95.2Very high85.8Confident96 Ų9658.7 Ų58.742%0.41729%0.294SS..Hα-helixtrans-60.1-44.6176.2-171.7175.8179.6178.10112.4K399 D400 V401 A405 F406 E407 L439K399-K403 VanDerWaalsContact O-CB 3.29Å; K399-K403 WeakPolarHBondContact O-CB 3.34Å; K399-K403 PolarHBondContact O-N 2.94Å; D400-K403 PolarHBondContact O-N 2.99Å; V401-K403 VanDerWaalsContact C-N 3.34Å; V401-K403 PolarHBondContact O-N 3.49Å; K403-A405 VanDerWaalsContact C-N 3.32Å; K403-A405 PolarHBondContact O-N 3.1Å; K403-F406 WeakPolarHBondContact O-CB 3.45Å; K403-F406 PolarHBondContact O-N 2.8Å; K403-F406 VanDerWaalsContact O-N 3.17Å; K403-E407 WeakPolarHBondContact O-CG 3.37Å; K403-E407 PolarHBondContact O-N 3.19Å; K403-L439 HydrophobicContact CB-CD2 4.04Å
404K92.6Very high84.3Confident120 Ų12055.5 Ų55.552%0.52228%0.279SS..Hα-helixtrans-60.8-40.7174.8-69.8164.5-172.5153.60111.8D400 V401 V402 K408D400-K404 WeakPolarHBondContact O-CG 3.28Å; D400-K404 PolarHBondContact O-N 2.7Å; D400-K404 VanDerWaalsContact O-N 3.07Å; D400-K404 IonicContact OD2-NZ 2.58Å; D400-K404 PolarHBondContact OD2-NZ 3.18Å; V401-K404 PolarHBondContact O-N 3.11Å; V402-K404 PolarHBondContact O-N 2.7Å; K404-K408 PolarHBondContact O-N 3.1Å
405A92.1Very high82.9Confident7 Ų755.6 Ų55.66%0.05828%0.278CS..Hα-helixtrans-67.2-36.9175.500000112.2V401 V402 K403 K408 S409 L422 L424V401-A405 PolarHBondContact O-N 2.85Å; V401-A405 VanDerWaalsContact O-N 3.12Å; V402-A405 WeakPolarHBondContact O-CB 3.19Å; V402-A405 PolarHBondContact O-N 3.35Å; K403-A405 VanDerWaalsContact C-N 3.32Å; K403-A405 PolarHBondContact O-N 3.1Å; A405-K408 PolarHBondContact O-N 3.05Å; A405-S409 PolarHBondContact O-N 3.3Å; A405-S409 VanDerWaalsContact O-N 3.12Å; A405-L422 HydrophobicContact CB-CB 4.27Å; A405-L422 HydrophobicContact CB-CD2 3.94Å; A405-L422 HydrophobicContact CB-CG 3.87Å; A405-L422 WeakPolarHBondContact CB-O 3.16Å; A405-L424 HydrophobicContact CB-CD1 4.32Å; A405-L424 HydrophobicContact CB-CD2 4.37Å; A405-L424 HydrophobicContact CB-CG 4Å
406F91.7Very high81.5Confident13 Ų1357.8 Ų57.86%0.05730%0.297CS..Hα-helixtrans-64.3-42.5176.4-174.8-92.4000112.3V402 K403 K408 S409 L424 H432 E436 L439 F440V402-F406 WeakPolarHBondContact O-CB 3.46Å; V402-F406 PolarHBondContact O-N 3.3Å; K403-F406 WeakPolarHBondContact O-CB 3.45Å; K403-F406 PolarHBondContact O-N 2.8Å; K403-F406 VanDerWaalsContact O-N 3.17Å; F406-K408 PolarHBondContact O-N 2.65Å; F406-S409 VanDerWaalsContact O-CB 3.23Å; F406-S409 WeakPolarHBondContact O-CB 3.38Å; F406-S409 PolarHBondContact O-N 2.77Å; F406-S409 VanDerWaalsContact O-N 3.07Å; F406-S409 PolarHBondContact O-OG 3.08Å; F406-L424 HydrophobicContact CB-CD1 3.84Å; F406-L424 HydrophobicContact CD2-CD1 4.12Å; F406-H432 AromaticContact CD2-CE1 3.79Å; F406-H432 AromaticContact CD2-NE2 3.97Å; F406-H432 AromaticContact CE2-CD2 3.92Å; F406-H432 AromaticContact CE2-CE1 3.48Å; F406-H432 VanDerWaalsContact CE2-CE1 3.48Å; F406-H432 WeakPolarHBondContact CE2-CE1 3.48Å; F406-H432 AromaticContact CE2-NE2 3.18Å; F406-H432 WeakPolarHBondContact CE2-NE2 3.47Å; F406-H432 AromaticContact CZ-NE2 3.73Å; F406-E436 HydrophobicContact CE2-CB 3.63Å; F406-E436 HydrophobicContact CE2-CG 4.05Å; F406-E436 HydrophobicContact CZ-CB 3.76Å; F406-E436 HydrophobicContact CZ-CG 3.61Å; F406-L439 HydrophobicContact CB-CD1 3.54Å; F406-L439 HydrophobicContact CD1-CD1 4.16Å; F406-L439 HydrophobicContact CD2-CD1 3.84Å; F406-L439 HydrophobicContact CG-CD1 3.57Å; F406-F440 HydrophobicContact CD1-CE2 4.18Å; F406-F440 HydrophobicContact CD1-CZ 4.26Å; F406-F440 AromaticContact CE1-CE2 3.66Å; F406-F440 HydrophobicContact CE1-CE2 3.66Å; F406-F440 HydrophobicContact CE1-CZ 4.04Å; F406-F440 HydrophobicContact CZ-CE2 4.11Å
407E88.7Confident80.2Confident124 Ų12460.9 Ų60.958%0.57931%0.314SS*.Hα-helixtrans-61.1-32.2176-71167.4-176.500112.3K403K403-E407 WeakPolarHBondContact O-CG 3.37Å; K403-E407 PolarHBondContact O-N 3.19Å
408K82.1Confident78.5Confident120 Ų12069.3 Ų69.352%0.52235%0.351SS..Hα-helixtrans-82.9-13.8176.4-63.7-178.1-172.9-174.40114.1K404 A405 F406 A410 N411 E421K404-K408 PolarHBondContact O-N 3.1Å; A405-K408 PolarHBondContact O-N 3.05Å; F406-K408 PolarHBondContact O-N 2.65Å; K408-A410 PolarHBondContact O-N 3.35Å; K408-A410 VanDerWaalsContact O-N 3.16Å; K408-N411 PolarHBondContact O-N 3.25Å; K408-E421 IonicContact NZ-OE1 3.7Å; K408-E421 IonicContact NZ-OE2 2.65Å; K408-E421 PolarHBondContact NZ-OE2 3.32Å
409S76.8Confident77Confident8 Ų874.7 Ų74.76%0.05638%0.377CS..G310 helixtrans-64.7-18.6-172.969.90000115.1A405 F406 N411 V412 H432A405-S409 PolarHBondContact O-N 3.3Å; A405-S409 VanDerWaalsContact O-N 3.12Å; F406-S409 VanDerWaalsContact O-CB 3.23Å; F406-S409 WeakPolarHBondContact O-CB 3.38Å; F406-S409 PolarHBondContact O-N 2.77Å; F406-S409 VanDerWaalsContact O-N 3.07Å; F406-S409 PolarHBondContact O-OG 3.08Å; S409-N411 PolarHBondContact O-N 3.19Å; S409-V412 VanDerWaalsContact O-CG2 3.24Å; S409-V412 WeakPolarHBondContact O-CG2 3.33Å; S409-H432 PolarHBondContact OG-CE1 3.42Å; S409-H432 VanDerWaalsContact OG-CE1 3.23Å
410A64.8Low75.8Confident45 Ų4573.8 Ų73.837%0.37238%0.377SS..G310 helixtrans-62.9-20.3172.900000112.3K408K408-A410 PolarHBondContact O-N 3.35Å; K408-A410 VanDerWaalsContact O-N 3.16Å
411N57.7Low75.2Confident96 Ų9675.9 Ų75.951%0.51338%0.384SS..G310 helixtrans-118.460.4178.1-69-60000110.2K37 K408 S409 V413K37-N411 PolarHBondContact NZ-OD1 3.2Å; K408-N411 PolarHBondContact O-N 3.25Å; S409-N411 PolarHBondContact O-N 3.19Å; N411-V413 WeakPolarHBondContact O-CG2 3.39Å; N411-V413 PolarHBondContact O-N 3.41Å
412V56.6Low75Confident28 Ų2874.6 Ų74.617%0.1738%0.375CS..  trans-60.1110.9174.6-178.40000109.1L115 S409 P426L115-V412 HydrophobicContact CD2-CG1 4.4Å; S409-V412 VanDerWaalsContact O-CG2 3.24Å; S409-V412 WeakPolarHBondContact O-CG2 3.33Å; V412-P426 HydrophobicContact CG2-CB 3.96Å
413V57.5Low74.6Confident39 Ų3977.2 Ų77.224%0.23639%0.385CS..  trans-94.8124.4176175.10000108.3S34 T35 N411 T415 R423S34-V413 WeakPolarHBondContact O-CG1 3.39Å; T35-V413 HydrophobicContact CG2-CB 4.23Å; T35-V413 HydrophobicContact CG2-CG1 3.7Å; T35-V413 HydrophobicContact CG2-CG2 3.55Å; N411-V413 WeakPolarHBondContact O-CG2 3.39Å; N411-V413 PolarHBondContact O-N 3.41Å; V413-T415 PolarHBondContact O-N 2.83Å; V413-R423 PolarHBondContact O-NH1 2.79Å
414W58.9Low74.4Confident56 Ų5672.7 Ų72.721%0.21237%0.366CS..  trans-69.3111158.7-94.787.3000109.3K36 E112 L115 P200K36-W414 HydrophobicContact CB-CB 3.99Å; K36-W414 HydrophobicContact CD-CB 4.23Å; K36-W414 HydrophobicContact CG-CB 4.28Å; E112-W414 HydrophobicContact CB-CH2 4.14Å; E112-W414 HydrophobicContact CB-CZ2 3.55Å; E112-W414 HydrophobicContact CG-CD2 4.14Å; E112-W414 HydrophobicContact CG-CH2 4.38Å; E112-W414 HydrophobicContact CG-CZ2 3.82Å; E112-W414 PolarHBondContact O-NE1 2.99Å; L115-W414 HydrophobicContact CB-CZ2 4.48Å; L115-W414 HydrophobicContact CD1-CZ2 3.62Å; P200-W414 HydrophobicContact CB-CE3 4.41Å; P200-W414 HydrophobicContact CB-CZ3 4.43Å; P200-W414 HydrophobicContact CG-CD2 4.1Å; P200-W414 HydrophobicContact CG-CE3 3.97Å; P200-W414 HydrophobicContact CG-CH2 3.67Å; P200-W414 HydrophobicContact CG-CZ2 3.75Å; P200-W414 HydrophobicContact CG-CZ3 3.78Å
415T64.1Low74.2Confident17 Ų1767.4 Ų67.410%0.10434%0.343CS..  trans-113156.5171.8-166.90000110.4P201 V413 E417 A420 R423P201-T415 HydrophobicContact CB-CG2 4.31Å; P201-T415 WeakPolarHBondContact CD-O 3.39Å; V413-T415 PolarHBondContact O-N 2.83Å; T415-E417 HydrophobicContact CG2-CB 4.29Å; T415-E417 WeakPolarHBondContact OG1-CB 3.39Å; T415-E417 WeakPolarHBondContact OG1-CG 3.49Å; T415-E417 PolarHBondContact OG1-N 2.73Å; T415-E417 VanDerWaalsContact OG1-N 3.08Å; T415-A420 HydrophobicContact CG2-CB 3.97Å; T415-R423 VanDerWaalsContact CG2-CZ 3.46Å; T415-R423 VanDerWaalsContact CG2-NH2 3.33Å
416T64.4Low73.7Confident135 Ų13567.5 Ų67.583%0.82834%0.343SS*.  trans-105.52.3165.753.70000112.4
417E67.1Low73.2Confident128 Ų12872.9 Ų72.960%0.59836%0.363SS*.  trans-68.3128179.9-69.2171.1171.200111.8P201 T415 N419P201-E417 WeakPolarHBondContact CB-O 3.37Å; P201-E417 WeakPolarHBondContact CG-O 3.49Å; T415-E417 HydrophobicContact CG2-CB 4.29Å; T415-E417 WeakPolarHBondContact OG1-CB 3.39Å; T415-E417 WeakPolarHBondContact OG1-CG 3.49Å; T415-E417 PolarHBondContact OG1-N 2.73Å; T415-E417 VanDerWaalsContact OG1-N 3.08Å; E417-N419 PolarHBondContact O-N 2.7Å
418K60.5Low72.7Confident196 Ų19668.1 Ų68.185%0.85235%0.348SS*.THydrogen-bonded Turntrans-69.1-32.8-175.6-67.9-175.3179.1-179.60113.8A420K418-A420 PolarHBondContact O-N 3.3Å
419N64Low72.9Confident163 Ų16362.9 Ų62.987%0.87233%0.326SS*.THydrogen-bonded Turntrans-98.545.3-179.2-72.3-3.6000112E417E417-N419 PolarHBondContact O-N 2.7Å
420A70.1Confident73.5Confident21 Ų2163.1 Ų63.117%0.17433%0.326CS..PPolyproline II helixtrans-69.3138178.300000111.3P201 T415 K418P201-A420 HydrophobicContact CB-CB 3.96Å; T415-A420 HydrophobicContact CG2-CB 3.97Å; K418-A420 PolarHBondContact O-N 3.3Å
421E84.1Confident74.8Confident126 Ų12661.2 Ų61.259%0.58931%0.311SS*.PPolyproline II helixtrans-54.4158.8167.2-63.7-176.8167.300111.7K408 R423K408-E421 IonicContact NZ-OE1 3.7Å; K408-E421 IonicContact NZ-OE2 2.65Å; K408-E421 PolarHBondContact NZ-OE2 3.32Å; E421-R423 PolarHBondContact O-N 2.91Å
422L89.8Confident76.4Confident27 Ų2756.9 Ų56.914%0.14129%0.287CS..PPolyproline II helixtrans-53128.7173.5175.865.4000110.6L193 Y204 F397 V401 V402 A405 L424L193-L422 HydrophobicContact CD1-CD1 4.4Å; Y204-L422 HydrophobicContact CD2-CD1 3.74Å; Y204-L422 HydrophobicContact CG-CD1 4.03Å; F397-L422 HydrophobicContact CD1-CD1 4.3Å; F397-L422 HydrophobicContact CD1-CD2 3.68Å; F397-L422 HydrophobicContact CD1-CG 4.48Å; F397-L422 HydrophobicContact CE1-CB 4.45Å; F397-L422 HydrophobicContact CE1-CD1 3.86Å; F397-L422 HydrophobicContact CE1-CD2 4Å; F397-L422 HydrophobicContact CE1-CG 4.31Å; F397-L422 HydrophobicContact CE2-CD1 4.22Å; F397-L422 HydrophobicContact CG-CD2 4.1Å; F397-L422 HydrophobicContact CZ-CD1 3.81Å; V401-L422 HydrophobicContact CG1-CD2 3.99Å; V402-L422 HydrophobicContact CG2-CD2 4.21Å; A405-L422 HydrophobicContact CB-CB 4.27Å; A405-L422 HydrophobicContact CB-CD2 3.94Å; A405-L422 HydrophobicContact CB-CG 3.87Å; A405-L422 WeakPolarHBondContact CB-O 3.16Å; L422-L424 HydrophobicContact CD1-CD2 4.36Å; L422-L424 HydrophobicContact CD2-CD2 4.43Å; L422-L424 HydrophobicContact CG-CD2 4.29Å
423R88.7Confident78.1Confident56 Ų5656.9 Ų56.921%0.21129%0.29CS..BIsolated β-bridgetrans-128.3146.6174.7-65.6168.2-163.1-166.13109G202 L203 Y204 V413 T415 E421G202-R423 PolarHBondContact O-N 3.01Å; L203-R423 WeakPolarHBondContact CA-O 3.46Å; L203-R423 HydrophobicContact CD1-CB 4.48Å; Y204-R423 PolarHBondContact N-O 3.11Å; V413-R423 PolarHBondContact O-NH1 2.79Å; T415-R423 VanDerWaalsContact CG2-CZ 3.46Å; T415-R423 VanDerWaalsContact CG2-NH2 3.33Å; E421-R423 PolarHBondContact O-N 2.91Å
424L90.8Very high80Confident2 Ų255 Ų551%0.0128%0.279CS..  trans-106.1162.1-179.7-53.6-176.7000110.3L193 L203 V402 A405 F406 L422 I435L193-L424 HydrophobicContact CD1-CD2 4.02Å; L203-L424 VanDerWaalsContact CD1-O 3.24Å; L203-L424 WeakPolarHBondContact CD1-O 3.36Å; V402-L424 HydrophobicContact CG1-CD1 3.94Å; V402-L424 HydrophobicContact CG1-CD2 4.23Å; A405-L424 HydrophobicContact CB-CD1 4.32Å; A405-L424 HydrophobicContact CB-CD2 4.37Å; A405-L424 HydrophobicContact CB-CG 4Å; F406-L424 HydrophobicContact CB-CD1 3.84Å; F406-L424 HydrophobicContact CD2-CD1 4.12Å; L422-L424 HydrophobicContact CD1-CD2 4.36Å; L422-L424 HydrophobicContact CD2-CD2 4.43Å; L422-L424 HydrophobicContact CG-CD2 4.29Å; L424-I435 HydrophobicContact CB-CD1 4.49Å; L424-I435 HydrophobicContact CD1-CD1 4.4Å; L424-I435 HydrophobicContact CD1-CG2 3.85Å; L424-I435 HydrophobicContact CD2-CD1 4.16Å
425P88Confident81.7Confident8 Ų852.4 Ų52.45%0.05227%0.269CS..PPolyproline II helixtrans-55.9153172.2-23.137.5000110.7Y204 V429 A431 H432Y204-P425 VanDerWaalsContact O-CD 3.3Å; Y204-P425 WeakPolarHBondContact O-CD 3.42Å; P425-V429 HydrophobicContact CB-CG2 3.46Å; P425-V429 VanDerWaalsContact CB-CG2 3.46Å; P425-A431 HydrophobicContact CB-CB 4.23Å; P425-A431 HydrophobicContact CG-CB 3.85Å; P425-H432 PolarHBondContact O-ND1 3.03Å
426P80.6Confident83.2Confident9 Ų955.7 Ų55.76%0.05828%0.283CS..PPolyproline II helixtrans-71.2162.6-173.432.2-36.4000110.9L115 V412 V429 H432L115-P426 HydrophobicContact CD2-CB 4.47Å; L115-P426 VanDerWaalsContact CD2-CD 3.46Å; L115-P426 HydrophobicContact CD2-CG 3.76Å; V412-P426 HydrophobicContact CG2-CB 3.96Å; P426-V429 HydrophobicContact CG-CG1 4.04Å; P426-V429 WeakPolarHBondContact O-CG2 3.38Å; P426-V429 PolarHBondContact O-N 3.03Å; P426-H432 VanDerWaalsContact O-CB 3.25Å; P426-H432 WeakPolarHBondContact O-CB 3.34Å
427R81.2Confident84.7Confident126 Ų12653.4 Ų53.448%0.47526%0.259SS..THydrogen-bonded Turntrans-57.9141.8173.2-72.6179.7175.4-175.4-1.6111.2H432R427-H432 WeakPolarHBondContact CG-NE2 3.26Å
428G79.2Confident86Confident25 Ų2547.6 Ų47.626%0.25823%0.232SC..THydrogen-bonded Turntrans93.6-6.5179.300000115N124 Q361N124-G428 PolarHBondContact OD1-O 2.84Å; Q361-G428 PolarHBondContact NE2-O 2.76Å
429V85.1Confident87.7Confident10 Ų1039 Ų396%0.06120%0.195CC..SBendtrans-98.3147.9168.9-46.20000110.9L114 W363 P425 P426 A431 H432 A433L114-V429 HydrophobicContact CD2-CG1 4.23Å; W363-V429 HydrophobicContact CH2-CB 4.13Å; W363-V429 HydrophobicContact CH2-CG1 3.76Å; W363-V429 HydrophobicContact CZ3-CB 3.95Å; W363-V429 HydrophobicContact CZ3-CG1 3.75Å; P425-V429 HydrophobicContact CB-CG2 3.46Å; P425-V429 VanDerWaalsContact CB-CG2 3.46Å; P426-V429 HydrophobicContact CG-CG1 4.04Å; P426-V429 WeakPolarHBondContact O-CG2 3.38Å; P426-V429 PolarHBondContact O-N 3.03Å; V429-A431 VanDerWaalsContact C-N 3.29Å; V429-A431 HydrophobicContact CG2-CB 4.4Å; V429-A431 PolarHBondContact O-N 3.07Å; V429-H432 HydrophobicContact CG2-CB 4.11Å; V429-H432 WeakPolarHBondContact O-CB 3.31Å; V429-H432 PolarHBondContact O-N 3.07Å; V429-A433 PolarHBondContact O-N 3.24Å
430I89.6Confident89Confident13 Ų1337.2 Ų37.27%0.06718%0.18CC..Hα-helixtrans-58.4-38.5-173.3-167.8168.8000112.8I180 M359 Q361 M371 A373 H432 A433 M434I180-I430 HydrophobicContact CD1-CG2 4.06Å; I180-I430 HydrophobicContact CG2-CD1 4.23Å; I180-I430 HydrophobicContact CG2-CG2 4.28Å; M359-I430 HydrophobicContact CB-CD1 4.3Å; M359-I430 HydrophobicContact CB-CG1 4.43Å; Q361-I430 HydrophobicContact CB-CB 3.87Å; Q361-I430 HydrophobicContact CB-CD1 3.98Å; Q361-I430 HydrophobicContact CB-CG1 4.39Å; Q361-I430 HydrophobicContact CB-CG2 4.37Å; M371-I430 HydrophobicContact CB-CD1 4.17Å; M371-I430 HydrophobicContact CB-CG2 4.14Å; M371-I430 HydrophobicContact CG-CG2 4.46Å; A373-I430 HydrophobicContact CB-CD1 3.84Å; A373-I430 HydrophobicContact CB-CG1 4.2Å; I430-H432 VanDerWaalsContact C-N 3.27Å; I430-H432 PolarHBondContact O-N 3.22Å; I430-A433 PolarHBondContact O-N 3.46Å; I430-A433 VanDerWaalsContact O-N 3.12Å; I430-M434 HydrophobicContact CG1-CG 4.39Å; I430-M434 HydrophobicContact CG1-SD 4.33Å; I430-M434 VanDerWaalsContact O-CG 3.29Å; I430-M434 WeakPolarHBondContact O-CG 2.98Å; I430-M434 PolarHBondContact O-N 3.07Å
431A92.9Very high89.3Confident5 Ų543.8 Ų43.84%0.04121%0.205CC..Hα-helixtrans-59.9-36.5176.900000112.7I180 P425 V429 I435I180-A431 HydrophobicContact CD1-CB 3.94Å; P425-A431 HydrophobicContact CB-CB 4.23Å; P425-A431 HydrophobicContact CG-CB 3.85Å; V429-A431 VanDerWaalsContact C-N 3.29Å; V429-A431 HydrophobicContact CG2-CB 4.4Å; V429-A431 PolarHBondContact O-N 3.07Å; A431-I435 WeakPolarHBondContact O-CD1 3.06Å; A431-I435 VanDerWaalsContact O-CG1 3.29Å; A431-I435 WeakPolarHBondContact O-CG1 3.35Å; A431-I435 PolarHBondContact O-N 3.05Å; A431-I435 VanDerWaalsContact O-N 3.16Å
432H92.1Very high89.6Confident5 Ų539.7 Ų39.72%0.02319%0.185CC..Hα-helixtrans-66.7-44.2175.3-172.289.2000111.4F406 S409 P425 P426 R427 V429 I430 M434 I435 E436F406-H432 AromaticContact CD2-CE1 3.79Å; F406-H432 AromaticContact CD2-NE2 3.97Å; F406-H432 AromaticContact CE2-CD2 3.92Å; F406-H432 AromaticContact CE2-CE1 3.48Å; F406-H432 VanDerWaalsContact CE2-CE1 3.48Å; F406-H432 WeakPolarHBondContact CE2-CE1 3.48Å; F406-H432 AromaticContact CE2-NE2 3.18Å; F406-H432 WeakPolarHBondContact CE2-NE2 3.47Å; F406-H432 AromaticContact CZ-NE2 3.73Å; S409-H432 PolarHBondContact OG-CE1 3.42Å; S409-H432 VanDerWaalsContact OG-CE1 3.23Å; P425-H432 PolarHBondContact O-ND1 3.03Å; P426-H432 VanDerWaalsContact O-CB 3.25Å; P426-H432 WeakPolarHBondContact O-CB 3.34Å; R427-H432 WeakPolarHBondContact CG-NE2 3.26Å; V429-H432 HydrophobicContact CG2-CB 4.11Å; V429-H432 WeakPolarHBondContact O-CB 3.31Å; V429-H432 PolarHBondContact O-N 3.07Å; I430-H432 VanDerWaalsContact C-N 3.27Å; I430-H432 PolarHBondContact O-N 3.22Å; H432-M434 VanDerWaalsContact C-N 3.33Å; H432-M434 PolarHBondContact O-N 3.13Å; H432-I435 PolarHBondContact O-N 2.72Å; H432-E436 WeakPolarHBondContact O-CB 2.98Å; H432-E436 PolarHBondContact O-N 3.48Å
433A92.2Very high89.6Confident28 Ų2840.3 Ų40.323%0.23119%0.188CC..Hα-helixtrans-65.6-35.1178.600000112.5M359 V429 I430 R437M359-A433 HydrophobicContact CE-CB 4.02Å; M359-A433 HydrophobicContact SD-CB 4.16Å; V429-A433 PolarHBondContact O-N 3.24Å; I430-A433 PolarHBondContact O-N 3.46Å; I430-A433 VanDerWaalsContact O-N 3.12Å; A433-R437 WeakPolarHBondContact O-CB 3.43Å; A433-R437 PolarHBondContact O-N 3.4Å
434M96Very high89.6Confident0 Ų039.4 Ų39.40%019%0.187CC..Hα-helixtrans-63-46.4173.2-70.4169.678.100111.4I180 L182 M359 A373 F374 F375 I430 H432 R437 W438I180-M434 HydrophobicContact CB-SD 4.33Å; I180-M434 HydrophobicContact CD1-SD 3.98Å; I180-M434 HydrophobicContact CG1-CE 4.19Å; I180-M434 HydrophobicContact CG1-SD 3.83Å; I180-M434 HydrophobicContact CG2-CE 4.24Å; I180-M434 HydrophobicContact CG2-SD 3.69Å; I180-M434 VanDerWaalsContact O-CE 3.29Å; I180-M434 WeakPolarHBondContact O-CE 2.87Å; L182-M434 HydrophobicContact CB-CE 3.94Å; M359-M434 HydrophobicContact SD-CG 4.48Å; A373-M434 HydrophobicContact CB-CE 3.85Å; A373-M434 HydrophobicContact CB-CG 3.81Å; A373-M434 HydrophobicContact CB-SD 3.62Å; F374-M434 VanDerWaalsContact O-CE 3.24Å; F374-M434 WeakPolarHBondContact O-CE 3.28Å; F375-M434 HydrophobicContact CE1-CB 4.25Å; I430-M434 HydrophobicContact CG1-CG 4.39Å; I430-M434 HydrophobicContact CG1-SD 4.33Å; I430-M434 VanDerWaalsContact O-CG 3.29Å; I430-M434 WeakPolarHBondContact O-CG 2.98Å; I430-M434 PolarHBondContact O-N 3.07Å; H432-M434 VanDerWaalsContact C-N 3.33Å; H432-M434 PolarHBondContact O-N 3.13Å; M434-R437 PolarHBondContact O-N 2.96Å; M434-W438 PolarHBondContact O-N 3.44Å
435I95.9Very high89.6Confident0 Ų041.6 Ų41.60%020%0.197CC..Hα-helixtrans-65.7-43.4178.2-65.1162.6000110.7L182 L193 V402 L424 A431 H432 R437 W438 L439L182-I435 HydrophobicContact CD1-CG1 4.11Å; L182-I435 HydrophobicContact CD2-CG1 4.37Å; L193-I435 HydrophobicContact CD2-CD1 4.21Å; V402-I435 HydrophobicContact CG1-CG2 3.59Å; L424-I435 HydrophobicContact CB-CD1 4.49Å; L424-I435 HydrophobicContact CD1-CD1 4.4Å; L424-I435 HydrophobicContact CD1-CG2 3.85Å; L424-I435 HydrophobicContact CD2-CD1 4.16Å; A431-I435 WeakPolarHBondContact O-CD1 3.06Å; A431-I435 VanDerWaalsContact O-CG1 3.29Å; A431-I435 WeakPolarHBondContact O-CG1 3.35Å; A431-I435 PolarHBondContact O-N 3.05Å; A431-I435 VanDerWaalsContact O-N 3.16Å; H432-I435 PolarHBondContact O-N 2.72Å; I435-R437 VanDerWaalsContact C-N 3.32Å; I435-R437 PolarHBondContact O-N 3.16Å; I435-W438 HydrophobicContact CG2-CE3 4.49Å; I435-W438 PolarHBondContact O-N 3.45Å; I435-L439 HydrophobicContact CG2-CD1 3.95Å; I435-L439 HydrophobicContact CG2-CG 4.2Å; I435-L439 WeakPolarHBondContact O-CB 3.16Å; I435-L439 VanDerWaalsContact O-CG 3.28Å; I435-L439 WeakPolarHBondContact O-CG 3.48Å; I435-L439 PolarHBondContact O-N 3.08Å
436E94.9Very high89.7Confident86 Ų8643.8 Ų43.840%0.40221%0.206SC..Hα-helixtrans-54.5-50.2173.7-176.9169.9-144.900111F406 H432 W438 L439 F440F406-E436 HydrophobicContact CE2-CB 3.63Å; F406-E436 HydrophobicContact CE2-CG 4.05Å; F406-E436 HydrophobicContact CZ-CB 3.76Å; F406-E436 HydrophobicContact CZ-CG 3.61Å; H432-E436 WeakPolarHBondContact O-CB 2.98Å; H432-E436 PolarHBondContact O-N 3.48Å; E436-W438 PolarHBondContact O-N 3.44Å; E436-L439 PolarHBondContact O-N 3.16Å; E436-F440 HydrophobicContact CG-CD2 3.82Å; E436-F440 HydrophobicContact CG-CE2 4Å; E436-F440 WeakPolarHBondContact O-CD2 3.49Å; E436-F440 PolarHBondContact O-N 3.15Å; E436-F440 VanDerWaalsContact O-N 3.11Å
437R95.1Very high90.3Very high88 Ų8846.1 Ų46.133%0.33222%0.216SC..Hα-helixtrans-61.2-46178.9-175.1162.2177.3171.1-7.2111.5V357 M359 F375 A433 M434 I435 L439 F440 F441V357-R437 VanDerWaalsContact O-CZ 3.3Å; V357-R437 PolarHBondContact O-NH1 3.44Å; V357-R437 PolarHBondContact O-NH2 3.49Å; M359-R437 HydrophobicContact CE-CB 4.35Å; F375-R437 HydrophobicContact CE2-CG 4.23Å; F375-R437 HydrophobicContact CZ-CB 4.14Å; F375-R437 HydrophobicContact CZ-CG 4.12Å; A433-R437 WeakPolarHBondContact O-CB 3.43Å; A433-R437 PolarHBondContact O-N 3.4Å; M434-R437 PolarHBondContact O-N 2.96Å; I435-R437 VanDerWaalsContact C-N 3.32Å; I435-R437 PolarHBondContact O-N 3.16Å; R437-L439 VanDerWaalsContact C-N 3.31Å; R437-L439 PolarHBondContact O-N 3.2Å; R437-F440 PolarHBondContact O-N 3.47Å; R437-F441 WeakPolarHBondContact O-CB 3.4Å; R437-F441 PolarHBondContact O-N 2.93Å
438W95.5Very high90.9Very high6 Ų640.4 Ų40.42%0.02320%0.197CC..Hα-helixtrans-61.8-36176168.567.4000113.7L182 M184 R188 V191 F375 K399 V402 M434 I435 E436L182-W438 HydrophobicContact CD2-CB 3.65Å; L182-W438 HydrophobicContact CD2-CD2 4.37Å; L182-W438 HydrophobicContact CD2-CG 4Å; M184-W438 HydrophobicContact SD-CG 4.23Å; M184-W438 PolarHBondContact SD-NE1 2.86Å; R188-W438 PolarHBondContact O-NE1 3.23Å; R188-W438 VanDerWaalsContact O-NE1 3.15Å; V191-W438 HydrophobicContact CB-CE3 4.47Å; V191-W438 HydrophobicContact CB-CH2 3.66Å; V191-W438 HydrophobicContact CB-CZ2 3.75Å; V191-W438 HydrophobicContact CB-CZ3 4.06Å; V191-W438 HydrophobicContact CG1-CE3 4.29Å; V191-W438 HydrophobicContact CG1-CH2 3.4Å; V191-W438 VanDerWaalsContact CG1-CH2 3.4Å; V191-W438 HydrophobicContact CG1-CZ2 4.05Å; V191-W438 HydrophobicContact CG1-CZ3 3.57Å; F375-W438 HydrophobicContact CE1-CB 4.42Å; F375-W438 HydrophobicContact CZ-CB 4.12Å; K399-W438 HydrophobicContact CB-CH2 3.84Å; K399-W438 HydrophobicContact CB-CZ2 4.02Å; K399-W438 HydrophobicContact CD-CZ2 4.27Å; K399-W438 VanDerWaalsContact CE-O 3.3Å; K399-W438 WeakPolarHBondContact CE-O 3.32Å; K399-W438 HydrophobicContact CG-CH2 3.83Å; K399-W438 HydrophobicContact CG-CZ2 3.95Å; K399-W438 HydrophobicContact CG-CZ3 4.28Å; K399-W438 PolarHBondContact NZ-O 2.87Å; V402-W438 HydrophobicContact CB-CH2 4.39Å; V402-W438 HydrophobicContact CB-CZ3 3.81Å; V402-W438 HydrophobicContact CG1-CZ3 3.81Å; V402-W438 HydrophobicContact CG2-CH2 4.23Å; V402-W438 HydrophobicContact CG2-CZ3 3.98Å; M434-W438 PolarHBondContact O-N 3.44Å; I435-W438 HydrophobicContact CG2-CE3 4.49Å; I435-W438 PolarHBondContact O-N 3.45Å; E436-W438 PolarHBondContact O-N 3.44Å
439L95.8Very high91.8Very high14 Ų1441.5 Ų41.57%0.07319%0.193CC..Hα-helixtrans-66.7-37.1178.8-76.4174.9000112.8K399 V402 K403 F406 I435 E436 R437K399-L439 VanDerWaalsContact CE-O 3.23Å; K399-L439 WeakPolarHBondContact CE-O 3.48Å; K399-L439 HydrophobicContact CG-CD2 3.88Å; K399-L439 PolarHBondContact NZ-O 3.19Å; V402-L439 HydrophobicContact CB-CD2 4.32Å; V402-L439 HydrophobicContact CG1-CD1 4.36Å; V402-L439 HydrophobicContact CG1-CD2 4.26Å; K403-L439 HydrophobicContact CB-CD2 4.04Å; F406-L439 HydrophobicContact CB-CD1 3.54Å; F406-L439 HydrophobicContact CD1-CD1 4.16Å; F406-L439 HydrophobicContact CD2-CD1 3.84Å; F406-L439 HydrophobicContact CG-CD1 3.57Å; I435-L439 HydrophobicContact CG2-CD1 3.95Å; I435-L439 HydrophobicContact CG2-CG 4.2Å; I435-L439 WeakPolarHBondContact O-CB 3.16Å; I435-L439 VanDerWaalsContact O-CG 3.28Å; I435-L439 WeakPolarHBondContact O-CG 3.48Å; I435-L439 PolarHBondContact O-N 3.08Å; E436-L439 PolarHBondContact O-N 3.16Å; R437-L439 VanDerWaalsContact C-N 3.31Å; R437-L439 PolarHBondContact O-N 3.2Å
440F91.2Very high92.4Very high127 Ų12744.2 Ų44.256%0.55720%0.204SC*.Hα-helixtrans-111.85.6-172.1-56.4-65000114.7F406 E436 R437F406-F440 HydrophobicContact CD1-CE2 4.18Å; F406-F440 HydrophobicContact CD1-CZ 4.26Å; F406-F440 AromaticContact CE1-CE2 3.66Å; F406-F440 HydrophobicContact CE1-CE2 3.66Å; F406-F440 HydrophobicContact CE1-CZ 4.04Å; F406-F440 HydrophobicContact CZ-CE2 4.11Å; E436-F440 HydrophobicContact CG-CD2 3.82Å; E436-F440 HydrophobicContact CG-CE2 4Å; E436-F440 WeakPolarHBondContact O-CD2 3.49Å; E436-F440 PolarHBondContact O-N 3.15Å; E436-F440 VanDerWaalsContact O-N 3.11Å; R437-F440 PolarHBondContact O-N 3.47Å
441F77.7Confident92.7Very high158 Ų15847 Ų4769%0.69322%0.216SC*.  trans-90.90162-154.2-87.6000108.8K399 R437K399-F441 PolarHBondContact NZ-OXT 3.35Å; K399-F441 VanDerWaalsContact NZ-OXT 3.15Å; R437-F441 WeakPolarHBondContact O-CB 3.4Å; R437-F441 PolarHBondContact O-N 2.93Å

Retrieved 441 of 441 residues in 326.5 ms (Link to these results)

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