A0A3Q0KNK4_SCHMA Loading...

E3 ubiquitin-protein ligase

E3 ubiquitin-protein ligase that specifically binds poly-ADP-ribosylated proteins and mediates their ubiquitination and subsequent degradation.

AlphaFold DB , UniProt , Accession A0A3Q0KNK4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 298 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
1M37.9Very low73.2Confident108 Ų10870.9 Ų70.953%0.53241%0.405SS..  01520-80176.2-124.600108.6S5 D69M1-S5 WeakPolarHBondContact CB-OG 3.43Å; M1-D69 PolarHBondContact N-OD1 3.02Å; M1-D69 PolarHBondContact N-OD2 2.88Å
2T39.4Very low75Confident98 Ų9874.6 Ų74.660%0.60142%0.421SS*.  trans-65.7153.7171.7570000109.4D4 S5T2-D4 PolarHBondContact O-N 3.39Å; T2-D4 PolarHBondContact OG1-OD2 3.47Å; T2-S5 PolarHBondContact O-N 3.44Å; T2-S5 VanDerWaalsContact O-N 3.08Å; T2-S5 PolarHBondContact O-OG 2.86Å
3V50.7Low76.3Confident130 Ų13076 Ų7679%0.78842%0.422SS*.G310 helixtrans-49.9-18.1-179.4-89.40000114.3S5 L6V3-S5 PolarHBondContact O-N 2.72Å; V3-L6 PolarHBondContact O-N 2.98Å
4D53.6Low77.5Confident115 Ų11578.6 Ų78.662%0.61544%0.435SS*.G310 helixtrans-66-19.8177.8-43.8-49000114T2 L6 E7T2-D4 PolarHBondContact O-N 3.39Å; T2-D4 PolarHBondContact OG1-OD2 3.47Å; D4-L6 PolarHBondContact O-N 3.48Å; D4-E7 PolarHBondContact O-N 3.37Å
5S67.3Low78.6Confident48 Ų4874.7 Ų74.734%0.33641%0.413SS..G310 helixtrans-70-13-179.156.20000114.4M1 T2 V3M1-S5 WeakPolarHBondContact CB-OG 3.43Å; T2-S5 PolarHBondContact O-N 3.44Å; T2-S5 VanDerWaalsContact O-N 3.08Å; T2-S5 PolarHBondContact O-OG 2.86Å; V3-S5 PolarHBondContact O-N 2.72Å
6L84.5Confident79.6Confident38 Ų3871.5 Ų71.520%0.19940%0.396CS..G310 helixtrans-107.67-178.8-61.9-178000113.5V3 D4 N14 L15 V62 L65V3-L6 PolarHBondContact O-N 2.98Å; D4-L6 PolarHBondContact O-N 3.48Å; L6-N14 CarbonylContact O-C 3.59Å; L6-N14 WeakPolarHBondContact O-CA 3.49Å; L6-L15 VanDerWaalsContact O-CG 3.27Å; L6-L15 WeakPolarHBondContact O-CG 2.99Å; L6-L15 PolarHBondContact O-N 2.89Å; L6-V62 HydrophobicContact CD1-CG1 3.84Å; L6-V62 HydrophobicContact CD2-CG1 3.67Å; L6-V62 HydrophobicContact CG-CG1 4.38Å; L6-L65 HydrophobicContact CD2-CB 3.94Å; L6-L65 HydrophobicContact CD2-CD1 3.32Å; L6-L65 HydrophobicContact CD2-CG 4.25Å
7E92.5Very high80.4Confident88 Ų8870.4 Ų70.441%0.41139%0.387SS..EExtended strand (participates in β ladder)trans-91.9137.3-179.7-164.4-178.993.400111.9D4D4-E7 PolarHBondContact O-N 3.37Å
8C94.7Very high81.2Confident0 Ų066.9 Ų66.90%037%0.368CS..EExtended strand (participates in β ladder)trans-81118.6171.6-175.90000110.9I10 C11 L12 Q13 L15 C28C8-I10 PolarHBondContact O-N 2.68Å; C8-C11 PolarHBondContact O-N 3.47Å; C8-L12 VanDerWaalsContact O-CA 3.31Å; C8-L12 WeakPolarHBondContact O-CA 3.42Å; C8-L12 PolarHBondContact O-N 2.9Å; C8-Q13 PolarHBondContact N-O 3.38Å; C8-L15 HydrophobicContact CB-CD2 3.71Å; C8-L15 HydrophobicContact CB-CG 4.39Å; C8-C28 WeakPolarHBondContact CB-SG 3.46Å; C8-C28 PolarHBondContact SG-N 2.99Å
9S94.5Very high81.9Confident59 Ų5963.4 Ų63.441%0.41335%0.349SS..THydrogen-bonded Turntrans-67.21.4178.157.10000115.9F27S9-F27 WeakPolarHBondContact OG-CE1 3.41Å
10I95.1Very high82.6Confident57 Ų5762.5 Ų62.529%0.29234%0.342SS..THydrogen-bonded Turntrans-94.4-50.1172.5-62.5163000111C8 F27 C31 I32 P43C8-I10 PolarHBondContact O-N 2.68Å; I10-F27 HydrophobicContact CD1-CB 3.94Å; I10-F27 HydrophobicContact CD1-CD1 3.37Å; I10-F27 HydrophobicContact CD1-CE1 3.96Å; I10-F27 HydrophobicContact CD1-CG 3.75Å; I10-F27 HydrophobicContact CG1-CD1 3.57Å; I10-F27 HydrophobicContact CG1-CE1 3.89Å; I10-F27 HydrophobicContact CG1-CG 4.44Å; I10-C31 HydrophobicContact CB-CB 3.87Å; I10-C31 HydrophobicContact CD1-CB 3.67Å; I10-C31 HydrophobicContact CG1-CB 4.4Å; I10-C31 HydrophobicContact CG2-CB 3.83Å; I10-I32 HydrophobicContact CD1-CB 4.44Å; I10-P43 HydrophobicContact CD1-CG 4.01Å; I10-P43 HydrophobicContact CG1-CB 4.42Å; I10-P43 HydrophobicContact CG1-CG 4.14Å
11C95.2Very high83.2Confident39 Ų3959.7 Ų59.726%0.26433%0.327SS..THydrogen-bonded Turntrans-102.2-6-176.563.40000114C8 Q13 C31C8-C11 PolarHBondContact O-N 3.47Å; C11-Q13 PolarHBondContact O-N 2.9Å; C11-C31 VanDerWaalsContact SG-SG 3.63Å
12L94.3Very high86Confident115 Ų11559.7 Ų59.760%0.60234%0.335SS*.THydrogen-bonded Turntrans54.540.6-178.7-48.3-179.6000111.8C8C8-L12 VanDerWaalsContact O-CA 3.31Å; C8-L12 WeakPolarHBondContact O-CA 3.42Å; C8-L12 PolarHBondContact O-N 2.9Å
13Q92.8Very high88.7Confident93 Ų9357.1 Ų57.144%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-137.5162.3178.9-67175.2-8.600108.9C8 C11 L15C8-Q13 PolarHBondContact N-O 3.38Å; C11-Q13 PolarHBondContact O-N 2.9Å; Q13-L15 PolarHBondContact O-N 3.25Å
14N92Very high90.7Very high112 Ų11252.7 Ų52.760%0.59930%0.301SS*.EExtended strand (participates in β ladder)trans-50.2140.4175.7-69.3-2.5000112.1L6 V16 R117L6-N14 CarbonylContact O-C 3.59Å; L6-N14 WeakPolarHBondContact O-CA 3.49Å; N14-V16 PolarHBondContact O-N 3.46Å; N14-R117 PolarHBondContact O-NH2 3.33Å
15L94.7Very high92.7Very high21 Ų2150 Ų5011%0.1129%0.285CS..  trans-61.9126.2-178.1-72.1160.5000111.5L6 C8 Q13 P18 I26L6-L15 VanDerWaalsContact O-CG 3.27Å; L6-L15 WeakPolarHBondContact O-CG 2.99Å; L6-L15 PolarHBondContact O-N 2.89Å; C8-L15 HydrophobicContact CB-CD2 3.71Å; C8-L15 HydrophobicContact CB-CG 4.39Å; Q13-L15 PolarHBondContact O-N 3.25Å; L15-P18 HydrophobicContact CB-CB 3.94Å; L15-P18 HydrophobicContact CB-CG 4.43Å; L15-P18 HydrophobicContact CD1-CB 4.05Å; L15-P18 HydrophobicContact CD2-CB 4.26Å; L15-P18 HydrophobicContact CG-CB 4.31Å; L15-I26 HydrophobicContact CD1-CG2 4Å; L15-I26 HydrophobicContact CD2-CG2 4.19Å
16V93.8Very high94Very high23 Ų2349.6 Ų49.614%0.13928%0.278CS..SBendtrans-111.4119171.2178.80000108.2N14 C28 F29 D115 R117N14-V16 PolarHBondContact O-N 3.46Å; V16-C28 PolarHBondContact N-SG 2.62Å; V16-C28 VanDerWaalsContact O-CA 3.31Å; V16-C28 WeakPolarHBondContact O-CA 3.08Å; V16-C28 WeakPolarHBondContact O-CB 3.34Å; V16-F29 PolarHBondContact O-N 2.63Å; V16-D115 HydrophobicContact CG1-CB 3.79Å; V16-R117 HydrophobicContact CG2-CB 4.48Å
17H93.7Very high94.5Very high53 Ų5347.8 Ų47.825%0.24527%0.269CS..SBendtrans47.366.9-168.9-55.5-57.1000111.4A19 F29 V175 I178H17-A19 PolarHBondContact O-N 3.38Å; H17-F29 HydrophobicContact CB-CB 4.01Å; H17-F29 WeakPolarHBondContact O-CB 3.27Å; H17-F29 PolarHBondContact O-N 2.73Å; H17-V175 VanDerWaalsContact NE2-CG1 3.33Å; H17-V175 WeakPolarHBondContact NE2-CG1 3.38Å; H17-I178 HydrophobicContact CB-CD1 3.6Å
18P95.2Very high94.7Very high8 Ų843.7 Ų43.75%0.05225%0.25CS..EExtended strand (participates in β ladder)trans-58.5122.4-177.824.5-34.3000110.8L15 I26 F27 L59 I60 V62L15-P18 HydrophobicContact CB-CB 3.94Å; L15-P18 HydrophobicContact CB-CG 4.43Å; L15-P18 HydrophobicContact CD1-CB 4.05Å; L15-P18 HydrophobicContact CD2-CB 4.26Å; L15-P18 HydrophobicContact CG-CB 4.31Å; P18-I26 HydrophobicContact CB-CG2 3.58Å; P18-F27 WeakPolarHBondContact CA-O 3.43Å; P18-L59 WeakPolarHBondContact O-CA 3.43Å; P18-I60 HydrophobicContact CB-CB 4.49Å; P18-I60 HydrophobicContact CG-CB 4.35Å; P18-I60 WeakPolarHBondContact CG-O 3.14Å; P18-I60 PolarHBondContact O-N 2.98Å; P18-V62 HydrophobicContact CG-CG2 3.79Å
19A94.8Very high94.8Very high0 Ų043.8 Ų43.80%025%0.25CS..EExtended strand (participates in β ladder)trans-115.1122.5-178.900000109.4H17 F27 F29 F53 K58 L59H17-A19 PolarHBondContact O-N 3.38Å; A19-F27 PolarHBondContact N-O 2.81Å; A19-F27 PolarHBondContact O-N 2.99Å; A19-F29 HydrophobicContact CB-CB 4.34Å; A19-F29 HydrophobicContact CB-CD2 4.24Å; A19-F53 HydrophobicContact CB-CE1 4.37Å; A19-F53 HydrophobicContact CB-CZ 3.86Å; A19-K58 WeakPolarHBondContact CA-O 3.38Å; A19-L59 HydrophobicContact CB-CD2 4.06Å
20Q95.2Very high94.9Very high45 Ų4542.2 Ų42.221%0.2124%0.237CC..EExtended strand (participates in β ladder)trans-86.8119.5178.4179.6172.675.100110.1G24 I26 F53 K58 I60Q20-G24 PolarHBondContact NE2-O 3Å; Q20-I26 HydrophobicContact CB-CG1 4.09Å; Q20-I26 HydrophobicContact CG-CG1 4.28Å; Q20-F53 VanDerWaalsContact O-CE2 3.31Å; Q20-F53 WeakPolarHBondContact O-CE2 3.48Å; Q20-K58 HydrophobicContact CB-CD 4.43Å; Q20-K58 PolarHBondContact N-O 3.39Å; Q20-K58 VanDerWaalsContact OE1-CE 3.28Å; Q20-I60 HydrophobicContact CB-CD1 3.92Å; Q20-I60 HydrophobicContact CB-CG1 3.89Å
21L95.4Very high95Very high3 Ų340.7 Ų40.72%0.01623%0.232CC..  trans-70161.2171.5-69.7-178.2000111.4C23 G24 H25 F27 I32 C42 F49 F53L21-C23 PolarHBondContact O-N 2.87Å; L21-G24 PolarHBondContact O-N 3.04Å; L21-H25 PolarHBondContact N-O 3.02Å; L21-F27 HydrophobicContact CD1-CD2 4.12Å; L21-F27 HydrophobicContact CD1-CE2 3.72Å; L21-F27 HydrophobicContact CG-CD2 4.4Å; L21-F27 HydrophobicContact CG-CE2 4.39Å; L21-I32 HydrophobicContact CD1-CD1 3.93Å; L21-I32 HydrophobicContact CD1-CG1 4.16Å; L21-I32 HydrophobicContact CD2-CG1 3.93Å; L21-I32 HydrophobicContact CG-CG1 4.31Å; L21-C42 HydrophobicContact CD1-CB 3.74Å; L21-F49 HydrophobicContact CD1-CD1 4.08Å; L21-F49 HydrophobicContact CD1-CE1 3.94Å; L21-F49 HydrophobicContact CD2-CD1 4Å; L21-F49 HydrophobicContact CD2-CD2 3.97Å; L21-F49 HydrophobicContact CD2-CE1 4.01Å; L21-F49 HydrophobicContact CD2-CE2 4.01Å; L21-F49 HydrophobicContact CD2-CG 3.97Å; L21-F49 HydrophobicContact CD2-CZ 4.03Å; L21-F53 HydrophobicContact CD2-CD1 4.12Å; L21-F53 HydrophobicContact CD2-CD2 4.33Å; L21-F53 HydrophobicContact CD2-CE1 3.81Å; L21-F53 HydrophobicContact CD2-CE2 4.04Å; L21-F53 HydrophobicContact CD2-CG 4.37Å; L21-F53 HydrophobicContact CD2-CZ 3.76Å
22P95.8Very high95.1Very high108 Ų10838.9 Ų38.970%0.70122%0.219SC*.THydrogen-bonded Turntrans-55.2-24.9175.4-27.635.6000114.8G24 F49P22-G24 VanDerWaalsContact C-N 3.26Å; P22-G24 PolarHBondContact O-N 2.9Å; P22-F49 HydrophobicContact CG-CB 4.25Å
23C96.2Very high95.1Very high45 Ų4537.2 Ų37.230%0.30421%0.207SC..THydrogen-bonded Turntrans-82.16.3175.463.30000114.3L21 H25 C42L21-C23 PolarHBondContact O-N 2.87Å; C23-H25 VanDerWaalsContact C-N 3.32Å; C23-H25 PolarHBondContact O-N 2.8Å; C23-C42 VanDerWaalsContact SG-SG 3.64Å
24G93.8Very high95.2Very high37 Ų3733.2 Ų33.238%0.38119%0.191SC..SBendtrans89.2-24.6177.500000115.6Q20 L21 P22Q20-G24 PolarHBondContact NE2-O 3Å; L21-G24 PolarHBondContact O-N 3.04Å; P22-G24 VanDerWaalsContact C-N 3.26Å; P22-G24 PolarHBondContact O-N 2.9Å
25H94.9Very high95.2Very high59 Ų5929.9 Ų29.927%0.27318%0.176SC..  trans-62.6141.9177.2-73117.1000114L21 C23 F27 C42 M44 C45L21-H25 PolarHBondContact N-O 3.02Å; C23-H25 VanDerWaalsContact C-N 3.32Å; C23-H25 PolarHBondContact O-N 2.8Å; H25-F27 HydrophobicContact CB-CE2 3.82Å; H25-F27 HydrophobicContact CB-CZ 4.23Å; H25-C42 PolarHBondContact ND1-SG 3.08Å; H25-M44 HydrophobicContact CB-CE 3.54Å; H25-M44 WeakPolarHBondContact CD2-CE 3.41Å; H25-M44 PolarHBondContact CD2-SD 3.02Å; H25-C45 PolarHBondContact ND1-SG 2.89Å; H25-C45 VanDerWaalsContact ND1-SG 3.36Å
26I95.2Very high95Very high38 Ų3829.4 Ų29.420%0.19518%0.175CC..EExtended strand (participates in β ladder)trans-118138.6-173.7-56172.5000110.4L15 P18 Q20 I60L15-I26 HydrophobicContact CD1-CG2 4Å; L15-I26 HydrophobicContact CD2-CG2 4.19Å; P18-I26 HydrophobicContact CB-CG2 3.58Å; Q20-I26 HydrophobicContact CB-CG1 4.09Å; Q20-I26 HydrophobicContact CG-CG1 4.28Å; I26-I60 HydrophobicContact CD1-CG1 4.12Å
27F95.7Very high94.4Very high0 Ų034.4 Ų34.40%020%0.195CC..EExtended strand (participates in β ladder)trans-145.1166.9176.7-54.4-86.8000110.6S9 I10 P18 A19 L21 H25 F29 I32 P43 M44S9-F27 WeakPolarHBondContact OG-CE1 3.41Å; I10-F27 HydrophobicContact CD1-CB 3.94Å; I10-F27 HydrophobicContact CD1-CD1 3.37Å; I10-F27 HydrophobicContact CD1-CE1 3.96Å; I10-F27 HydrophobicContact CD1-CG 3.75Å; I10-F27 HydrophobicContact CG1-CD1 3.57Å; I10-F27 HydrophobicContact CG1-CE1 3.89Å; I10-F27 HydrophobicContact CG1-CG 4.44Å; P18-F27 WeakPolarHBondContact CA-O 3.43Å; A19-F27 PolarHBondContact N-O 2.81Å; A19-F27 PolarHBondContact O-N 2.99Å; L21-F27 HydrophobicContact CD1-CD2 4.12Å; L21-F27 HydrophobicContact CD1-CE2 3.72Å; L21-F27 HydrophobicContact CG-CD2 4.4Å; L21-F27 HydrophobicContact CG-CE2 4.39Å; H25-F27 HydrophobicContact CB-CE2 3.82Å; H25-F27 HydrophobicContact CB-CZ 4.23Å; F27-F29 PolarHBondContact O-N 2.96Å; F27-I32 HydrophobicContact CB-CB 4.05Å; F27-I32 HydrophobicContact CB-CG2 4.47Å; F27-I32 HydrophobicContact CD2-CB 4.36Å; F27-I32 HydrophobicContact CD2-CD1 4.21Å; F27-I32 HydrophobicContact CD2-CG1 4.33Å; F27-I32 HydrophobicContact CE2-CD1 4.43Å; F27-I32 HydrophobicContact CG-CB 4.42Å; F27-P43 HydrophobicContact CE1-CB 4.04Å; F27-P43 HydrophobicContact CE1-CG 4.11Å; F27-P43 HydrophobicContact CZ-CB 4.03Å; F27-P43 HydrophobicContact CZ-CG 4.01Å; F27-M44 HydrophobicContact CD1-CE 4.3Å; F27-M44 HydrophobicContact CE1-CE 3.55Å; F27-M44 HydrophobicContact CE1-CG 4.08Å; F27-M44 HydrophobicContact CE2-CE 3.95Å; F27-M44 HydrophobicContact CZ-CB 4.33Å; F27-M44 HydrophobicContact CZ-CE 3.34Å; F27-M44 HydrophobicContact CZ-CG 3.83Å; F27-M44 HydrophobicContact CZ-SD 4.42Å
28C96.2Very high93.6Very high3 Ų338.9 Ų38.92%0.0222%0.216CC..EExtended strand (participates in β ladder)trans-59.2136164.9-56.10000109.2C8 V16 L30 C31 I32C8-C28 WeakPolarHBondContact CB-SG 3.46Å; C8-C28 PolarHBondContact SG-N 2.99Å; V16-C28 PolarHBondContact N-SG 2.62Å; V16-C28 VanDerWaalsContact O-CA 3.31Å; V16-C28 WeakPolarHBondContact O-CA 3.08Å; V16-C28 WeakPolarHBondContact O-CB 3.34Å; C28-L30 VanDerWaalsContact C-N 3.27Å; C28-L30 PolarHBondContact O-N 2.87Å; C28-C31 HydrophobicContact CB-CB 3.91Å; C28-C31 PolarHBondContact O-N 3.12Å; C28-I32 PolarHBondContact O-N 3.17Å
29F96.9Very high93Very high1 Ų145.9 Ų45.90%0.00424%0.241CC..Hα-helixtrans-51.4-46.4179176.9-103.3000112.5V16 H17 A19 F27 C31 I32 K33 F54 P57 A176 I178V16-F29 PolarHBondContact O-N 2.63Å; H17-F29 HydrophobicContact CB-CB 4.01Å; H17-F29 WeakPolarHBondContact O-CB 3.27Å; H17-F29 PolarHBondContact O-N 2.73Å; A19-F29 HydrophobicContact CB-CB 4.34Å; A19-F29 HydrophobicContact CB-CD2 4.24Å; F27-F29 PolarHBondContact O-N 2.96Å; F29-C31 PolarHBondContact O-N 3.28Å; F29-I32 VanDerWaalsContact O-CG2 3.31Å; F29-I32 WeakPolarHBondContact O-CG2 3.24Å; F29-K33 HydrophobicContact CE1-CD 4.06Å; F29-K33 HydrophobicContact CZ-CD 4.38Å; F29-K33 WeakPolarHBondContact O-CB 3.49Å; F29-K33 PolarHBondContact O-N 2.88Å; F29-F54 AromaticContact CE2-CD1 3.81Å; F29-F54 HydrophobicContact CE2-CD1 3.81Å; F29-F54 HydrophobicContact CZ-CD1 4.12Å; F29-P57 HydrophobicContact CD2-CB 4.12Å; F29-P57 HydrophobicContact CD2-CG 4.09Å; F29-P57 HydrophobicContact CE2-CB 3.95Å; F29-P57 HydrophobicContact CE2-CG 3.7Å; F29-A176 WeakPolarHBondContact CE1-O 3.35Å; F29-I178 HydrophobicContact CB-CD1 4.02Å; F29-I178 HydrophobicContact CD1-CD1 3.78Å; F29-I178 HydrophobicContact CD1-CG1 3.61Å; F29-I178 HydrophobicContact CD2-CD1 4.24Å; F29-I178 HydrophobicContact CD2-CG1 4.15Å; F29-I178 HydrophobicContact CE1-CD1 4.28Å; F29-I178 HydrophobicContact CE1-CG1 3.57Å; F29-I178 HydrophobicContact CE2-CG1 4.13Å; F29-I178 HydrophobicContact CG-CD1 3.75Å; F29-I178 HydrophobicContact CG-CG1 3.9Å; F29-I178 HydrophobicContact CZ-CG1 3.84Å
30L96.9Very high92.7Very high27 Ų2749.8 Ų49.814%0.14126%0.256CS..Hα-helixtrans-69.1-33179.3-68-177.5000113.3C28 K33 G34 D115 I137 A138 A176C28-L30 VanDerWaalsContact C-N 3.27Å; C28-L30 PolarHBondContact O-N 2.87Å; L30-K33 HydrophobicContact CD2-CD 4.44Å; L30-K33 PolarHBondContact O-N 3.07Å; L30-G34 PolarHBondContact O-N 2.77Å; L30-D115 HydrophobicContact CD1-CB 4.31Å; L30-D115 VanDerWaalsContact CD1-OD1 3.32Å; L30-D115 WeakPolarHBondContact CD1-OD1 3.45Å; L30-I137 HydrophobicContact CD1-CG2 4.44Å; L30-A138 HydrophobicContact CD2-CB 4.41Å; L30-A138 WeakPolarHBondContact O-CA 3.37Å; L30-A176 HydrophobicContact CD1-CB 4.14Å; L30-A176 HydrophobicContact CD2-CB 4.14Å; L30-A176 HydrophobicContact CG-CB 4.21Å
31C96.7Very high92.7Very high25 Ų2551.1 Ų51.117%0.16926%0.261CS..Hα-helixtrans-67.3-49.6178.4-71.30000110.8I10 C11 C28 F29 K33 G34 C35I10-C31 HydrophobicContact CB-CB 3.87Å; I10-C31 HydrophobicContact CD1-CB 3.67Å; I10-C31 HydrophobicContact CG1-CB 4.4Å; I10-C31 HydrophobicContact CG2-CB 3.83Å; C11-C31 VanDerWaalsContact SG-SG 3.63Å; C28-C31 HydrophobicContact CB-CB 3.91Å; C28-C31 PolarHBondContact O-N 3.12Å; F29-C31 PolarHBondContact O-N 3.28Å; C31-K33 VanDerWaalsContact C-N 3.28Å; C31-K33 PolarHBondContact O-N 3.22Å; C31-G34 PolarHBondContact O-N 2.73Å; C31-G34 VanDerWaalsContact O-N 3.15Å; C31-C35 PolarHBondContact O-N 3.4Å; C31-C35 PolarHBondContact O-SG 3.2Å
32I96.3Very high92.7Very high0 Ų051.1 Ų51.10%026%0.261CS..Hα-helixtrans-67.3-31.7178.2-170.156.2000112I10 L21 F27 C28 F29 C35 A36 P43 F49 F53 F54I10-I32 HydrophobicContact CD1-CB 4.44Å; L21-I32 HydrophobicContact CD1-CD1 3.93Å; L21-I32 HydrophobicContact CD1-CG1 4.16Å; L21-I32 HydrophobicContact CD2-CG1 3.93Å; L21-I32 HydrophobicContact CG-CG1 4.31Å; F27-I32 HydrophobicContact CB-CB 4.05Å; F27-I32 HydrophobicContact CB-CG2 4.47Å; F27-I32 HydrophobicContact CD2-CB 4.36Å; F27-I32 HydrophobicContact CD2-CD1 4.21Å; F27-I32 HydrophobicContact CD2-CG1 4.33Å; F27-I32 HydrophobicContact CE2-CD1 4.43Å; F27-I32 HydrophobicContact CG-CB 4.42Å; C28-I32 PolarHBondContact O-N 3.17Å; F29-I32 VanDerWaalsContact O-CG2 3.31Å; F29-I32 WeakPolarHBondContact O-CG2 3.24Å; I32-C35 HydrophobicContact CD1-CB 4.42Å; I32-C35 PolarHBondContact O-N 2.87Å; I32-A36 VanDerWaalsContact O-CB 3.31Å; I32-A36 WeakPolarHBondContact O-CB 3.31Å; I32-A36 PolarHBondContact O-N 2.79Å; I32-P43 HydrophobicContact CD1-CG 4.07Å; I32-F49 HydrophobicContact CD1-CE1 4.11Å; I32-F49 HydrophobicContact CD1-CZ 3.88Å; I32-F49 HydrophobicContact CG1-CZ 3.98Å; I32-F53 HydrophobicContact CG2-CE1 4.27Å; I32-F54 HydrophobicContact CG2-CE1 4.27Å
33K95.8Very high92.7Very high80 Ų8048.9 Ų48.935%0.34825%0.246SC..Hα-helixtrans-61.4-41.8171.2-170.6173.5-175.9174.60112.3F29 L30 C31 F54 A138F29-K33 HydrophobicContact CE1-CD 4.06Å; F29-K33 HydrophobicContact CZ-CD 4.38Å; F29-K33 WeakPolarHBondContact O-CB 3.49Å; F29-K33 PolarHBondContact O-N 2.88Å; L30-K33 HydrophobicContact CD2-CD 4.44Å; L30-K33 PolarHBondContact O-N 3.07Å; C31-K33 VanDerWaalsContact C-N 3.28Å; C31-K33 PolarHBondContact O-N 3.22Å; K33-F54 VanDerWaalsContact CA-CE1 3.47Å; K33-F54 HydrophobicContact CB-CD1 4.17Å; K33-F54 HydrophobicContact CB-CE1 3.69Å; K33-F54 HydrophobicContact CB-CZ 4.26Å; K33-F54 HydrophobicContact CG-CD1 4.19Å; K33-F54 HydrophobicContact CG-CE1 4.08Å; K33-A138 HydrophobicContact CB-CB 4.47Å; K33-A138 HydrophobicContact CG-CB 4.44Å
34G93.9Very high92.6Very high10 Ų1050.7 Ų50.710%0.10325%0.252CS..Hα-helixtrans-65.4-45.6174.600000113L30 C31 A36 F37 A138L30-G34 PolarHBondContact O-N 2.77Å; C31-G34 PolarHBondContact O-N 2.73Å; C31-G34 VanDerWaalsContact O-N 3.15Å; G34-A36 VanDerWaalsContact C-N 3.34Å; G34-A36 PolarHBondContact O-N 2.85Å; G34-F37 WeakPolarHBondContact O-CB 3.16Å; G34-F37 PolarHBondContact O-N 2.71Å; G34-A138 WeakPolarHBondContact CA-O 3.33Å
35C92.8Very high92.7Very high42 Ų4251.4 Ų51.428%0.28425%0.25SS..Hα-helixtrans-62.8-39.4178-66.40000112.9C31 I32 F37 H38 R39 P43C31-C35 PolarHBondContact O-N 3.4Å; C31-C35 PolarHBondContact O-SG 3.2Å; I32-C35 HydrophobicContact CD1-CB 4.42Å; I32-C35 PolarHBondContact O-N 2.87Å; C35-F37 PolarHBondContact O-N 2.72Å; C35-F37 VanDerWaalsContact O-N 3.14Å; C35-H38 PolarHBondContact O-N 2.9Å; C35-H38 VanDerWaalsContact O-N 3.16Å; C35-R39 PolarHBondContact O-N 2.79Å; C35-P43 HydrophobicContact CB-CG 4.3Å
36A90.5Very high92.7Very high10 Ų1058 Ų588%0.08327%0.273CS..Hα-helixtrans-62.3-21.7-177.200000113.7I32 G34 F49 F54I32-A36 VanDerWaalsContact O-CB 3.31Å; I32-A36 WeakPolarHBondContact O-CB 3.31Å; I32-A36 PolarHBondContact O-N 2.79Å; G34-A36 VanDerWaalsContact C-N 3.34Å; G34-A36 PolarHBondContact O-N 2.85Å; A36-F49 HydrophobicContact CB-CE2 4.2Å; A36-F49 HydrophobicContact CB-CZ 3.94Å; A36-F54 HydrophobicContact CB-CE2 3.61Å; A36-F54 HydrophobicContact CB-CZ 3.5Å
37F79.8Confident92.7Very high128 Ų12858.8 Ų58.856%0.56128%0.281SS*.Hα-helixtrans-63.9-40176.3-173.9-95.6000112.2G34 C35 Y140G34-F37 WeakPolarHBondContact O-CB 3.16Å; G34-F37 PolarHBondContact O-N 2.71Å; C35-F37 PolarHBondContact O-N 2.72Å; C35-F37 VanDerWaalsContact O-N 3.14Å; F37-Y140 WeakPolarHBondContact CD1-OH 3.21Å; F37-Y140 VanDerWaalsContact CD2-OH 3.31Å; F37-Y140 WeakPolarHBondContact CD2-OH 3.19Å; F37-Y140 WeakPolarHBondContact CE1-OH 3.45Å; F37-Y140 WeakPolarHBondContact CE2-OH 3.37Å; F37-Y140 WeakPolarHBondContact CG-OH 3.31Å; F37-Y140 VanDerWaalsContact CZ-OH 3.22Å; F37-Y140 WeakPolarHBondContact CZ-OH 3.49Å
38H77.1Confident92.7Very high148 Ų14867.8 Ų67.869%0.68532%0.315SS*.Hα-helixtrans-85.7-42.1179.7-64.8-70.5000112C35C35-H38 PolarHBondContact O-N 2.9Å; C35-H38 VanDerWaalsContact O-N 3.16Å
39R83Confident92.6Very high154 Ų15468.5 Ų68.558%0.58132%0.318SS*.  trans-148.8121.2-179.2-61.3-174-176.4-935.7109.4C35 K41C35-R39 PolarHBondContact O-N 2.79Å; R39-K41 PolarHBondContact O-N 3.43Å
40R88.9Confident92.4Very high83 Ų8371.8 Ų71.831%0.31334%0.341SS..SBendtrans-74.755.3175.7-61.5-179.9-177.4121.7-7.4112.2R48 F49 D263R40-R48 WeakPolarHBondContact O-CA 2.93Å; R40-F49 PolarHBondContact O-N 2.93Å; R40-D263 IonicContact CZ-OD1 2.69Å; R40-D263 IonicContact NH1-OD1 3.41Å; R40-D263 PolarHBondContact NH1-OD1 2.91Å; R40-D263 IonicContact NH2-OD1 3.66Å
41K95Very high92.1Very high73 Ų7372.8 Ų72.832%0.31735%0.35SS..BIsolated β-bridgetrans-135.6143.8-176-70.9-179179.9178.10110.1R39 P43 R46 S47 R48 F49R39-K41 PolarHBondContact O-N 3.43Å; K41-P43 WeakPolarHBondContact O-CD 3.04Å; K41-R46 WeakPolarHBondContact CG-O 3.32Å; K41-S47 CarbonylContact C-O 3.57Å; K41-S47 VanDerWaalsContact CA-O 3.31Å; K41-S47 WeakPolarHBondContact CA-O 3.2Å; K41-R48 HydrophobicContact CG-CG 4.15Å; K41-F49 VanDerWaalsContact C-CE1 3.47Å
42C95.9Very high91.9Very high3 Ų380.9 Ų80.92%0.0238%0.377CS..  trans-59.7128.8173.2175.60000110.3L21 C23 H25 M44 R46 S47L21-C42 HydrophobicContact CD1-CB 3.74Å; C23-C42 VanDerWaalsContact SG-SG 3.64Å; H25-C42 PolarHBondContact ND1-SG 3.08Å; C42-M44 PolarHBondContact O-N 2.9Å; C42-M44 PolarHBondContact SG-N 2.89Å; C42-M44 VanDerWaalsContact SG-N 3.37Å; C42-R46 WeakPolarHBondContact O-CA 3.33Å; C42-R46 PolarHBondContact O-N 3.33Å; C42-S47 PolarHBondContact N-O 2.84Å
43P94.7Very high91.8Very high60 Ų6081.9 Ų81.939%0.3938%0.382SS..THydrogen-bonded Turntrans-59.5-29.2175.6-29.537.3000114.7I10 F27 I32 C35 K41I10-P43 HydrophobicContact CD1-CG 4.01Å; I10-P43 HydrophobicContact CG1-CB 4.42Å; I10-P43 HydrophobicContact CG1-CG 4.14Å; F27-P43 HydrophobicContact CE1-CB 4.04Å; F27-P43 HydrophobicContact CE1-CG 4.11Å; F27-P43 HydrophobicContact CZ-CB 4.03Å; F27-P43 HydrophobicContact CZ-CG 4.01Å; I32-P43 HydrophobicContact CD1-CG 4.07Å; C35-P43 HydrophobicContact CB-CG 4.3Å; K41-P43 WeakPolarHBondContact O-CD 3.04Å
44M93.8Very high91.7Very high84 Ų8479.9 Ų79.941%0.41437%0.373SS..THydrogen-bonded Turntrans-85-55.7-178-72.6-168.3-94.300112.9H25 F27 C42H25-M44 HydrophobicContact CB-CE 3.54Å; H25-M44 WeakPolarHBondContact CD2-CE 3.41Å; H25-M44 PolarHBondContact CD2-SD 3.02Å; F27-M44 HydrophobicContact CD1-CE 4.3Å; F27-M44 HydrophobicContact CE1-CE 3.55Å; F27-M44 HydrophobicContact CE1-CG 4.08Å; F27-M44 HydrophobicContact CE2-CE 3.95Å; F27-M44 HydrophobicContact CZ-CB 4.33Å; F27-M44 HydrophobicContact CZ-CE 3.34Å; F27-M44 HydrophobicContact CZ-CG 3.83Å; F27-M44 HydrophobicContact CZ-SD 4.42Å; C42-M44 PolarHBondContact O-N 2.9Å; C42-M44 PolarHBondContact SG-N 2.89Å; C42-M44 VanDerWaalsContact SG-N 3.37Å
45C96Very high91.8Very high52 Ų5284.2 Ų84.235%0.35139%0.394SS..THydrogen-bonded Turntrans-109.12.1-175.367.20000115.3H25 S47H25-C45 PolarHBondContact ND1-SG 2.89Å; H25-C45 VanDerWaalsContact ND1-SG 3.36Å; C45-S47 PolarHBondContact O-N 2.86Å; C45-S47 VanDerWaalsContact SG-CB 3.57Å; C45-S47 PolarHBondContact SG-OG 2.94Å
46R95.1Very high91.8Very high197 Ų19787.8 Ų87.874%0.74341%0.41SS*.  trans62.47.2179.7-50.3175.7-176.2176.20.7115.4K41 C42K41-R46 WeakPolarHBondContact CG-O 3.32Å; C42-R46 WeakPolarHBondContact O-CA 3.33Å; C42-R46 PolarHBondContact O-N 3.33Å
47S95.6Very high92Very high54 Ų5487.6 Ų87.638%0.37841%0.408SS..  trans-58.2136173.5-70.10000110.9K41 C42 C45K41-S47 CarbonylContact C-O 3.57Å; K41-S47 VanDerWaalsContact CA-O 3.31Å; K41-S47 WeakPolarHBondContact CA-O 3.2Å; C42-S47 PolarHBondContact N-O 2.84Å; C45-S47 PolarHBondContact O-N 2.86Å; C45-S47 VanDerWaalsContact SG-CB 3.57Å; C45-S47 PolarHBondContact SG-OG 2.94Å
48R95.4Very high92.7Very high190 Ų19087.6 Ų87.672%0.71741%0.408SS*.BIsolated β-bridgetrans-74.7146.9178.1-59.9-177.6103.3123.51.7109.9R40 K41R40-R48 WeakPolarHBondContact O-CA 2.93Å; K41-R48 HydrophobicContact CG-CG 4.15Å
49F94.3Very high93.5Very high18 Ų1881.6 Ų81.68%0.07938%0.381CS..  trans-139.9154.7169.963-87.5000109.9L21 P22 I32 A36 R40 K41 F53 F54L21-F49 HydrophobicContact CD1-CD1 4.08Å; L21-F49 HydrophobicContact CD1-CE1 3.94Å; L21-F49 HydrophobicContact CD2-CD1 4Å; L21-F49 HydrophobicContact CD2-CD2 3.97Å; L21-F49 HydrophobicContact CD2-CE1 4.01Å; L21-F49 HydrophobicContact CD2-CE2 4.01Å; L21-F49 HydrophobicContact CD2-CG 3.97Å; L21-F49 HydrophobicContact CD2-CZ 4.03Å; P22-F49 HydrophobicContact CG-CB 4.25Å; I32-F49 HydrophobicContact CD1-CE1 4.11Å; I32-F49 HydrophobicContact CD1-CZ 3.88Å; I32-F49 HydrophobicContact CG1-CZ 3.98Å; A36-F49 HydrophobicContact CB-CE2 4.2Å; A36-F49 HydrophobicContact CB-CZ 3.94Å; R40-F49 PolarHBondContact O-N 2.93Å; K41-F49 VanDerWaalsContact C-CE1 3.47Å; F49-F53 HydrophobicContact CD2-CB 4.03Å; F49-F53 HydrophobicContact CD2-CD1 4.4Å; F49-F53 HydrophobicContact CD2-CG 4.27Å; F49-F53 HydrophobicContact CE2-CD1 4.27Å; F49-F54 HydrophobicContact CE2-CE2 4.12Å; F49-F54 AromaticContact CE2-CZ 3.97Å; F49-F54 HydrophobicContact CE2-CZ 3.97Å
50S93.2Very high93.8Very high70 Ų7075.6 Ų75.649%0.4936%0.36SS..  trans-75.1149.8-178.3-179.60000111.7R52 F53S50-R52 PolarHBondContact O-N 2.86Å; S50-R52 PolarHBondContact OG-N 3.27Å; S50-F53 WeakPolarHBondContact O-CB 3.06Å; S50-F53 PolarHBondContact O-N 2.86Å; S50-F53 VanDerWaalsContact O-N 3.11Å
51S90Very high93.4Very high47 Ų4773.7 Ų73.733%0.32936%0.356SS..G310 helixtrans-60.2-26.9170.251.30000112.6F53 F54S51-F53 PolarHBondContact O-N 2.55Å; S51-F54 VanDerWaalsContact O-CD2 3.31Å; S51-F54 WeakPolarHBondContact O-CD2 2.93Å; S51-F54 PolarHBondContact O-N 3.47Å
52R93Very high92Very high195 Ų19572.2 Ų72.274%0.73635%0.353SS*.G310 helixtrans-60.4-15.6175.1-64.7-175.1-177.8169.2-0.1113.5S50 F54 D55S50-R52 PolarHBondContact O-N 2.86Å; S50-R52 PolarHBondContact OG-N 3.27Å; R52-F54 PolarHBondContact O-N 2.83Å; R52-F54 VanDerWaalsContact O-N 3.16Å; R52-D55 PolarHBondContact O-N 3.1Å; R52-D55 VanDerWaalsContact O-N 3.1Å
53F94Very high90.1Very high22 Ų2275.9 Ų75.910%0.09638%0.378CS..G310 helixtrans-50.9-36.1172172.2-102.7000112.5A19 Q20 L21 I32 F49 S50 S51 D55 N56 P57A19-F53 HydrophobicContact CB-CE1 4.37Å; A19-F53 HydrophobicContact CB-CZ 3.86Å; Q20-F53 VanDerWaalsContact O-CE2 3.31Å; Q20-F53 WeakPolarHBondContact O-CE2 3.48Å; L21-F53 HydrophobicContact CD2-CD1 4.12Å; L21-F53 HydrophobicContact CD2-CD2 4.33Å; L21-F53 HydrophobicContact CD2-CE1 3.81Å; L21-F53 HydrophobicContact CD2-CE2 4.04Å; L21-F53 HydrophobicContact CD2-CG 4.37Å; L21-F53 HydrophobicContact CD2-CZ 3.76Å; I32-F53 HydrophobicContact CG2-CE1 4.27Å; F49-F53 HydrophobicContact CD2-CB 4.03Å; F49-F53 HydrophobicContact CD2-CD1 4.4Å; F49-F53 HydrophobicContact CD2-CG 4.27Å; F49-F53 HydrophobicContact CE2-CD1 4.27Å; S50-F53 WeakPolarHBondContact O-CB 3.06Å; S50-F53 PolarHBondContact O-N 2.86Å; S50-F53 VanDerWaalsContact O-N 3.11Å; S51-F53 PolarHBondContact O-N 2.55Å; F53-D55 VanDerWaalsContact C-N 3.31Å; F53-D55 PolarHBondContact O-N 3.36Å; F53-N56 CarbonylContact O-C 3.53Å; F53-P57 HydrophobicContact CE1-CB 4.44Å; F53-P57 HydrophobicContact CE2-CB 4.43Å; F53-P57 HydrophobicContact CZ-CB 4.17Å; F53-P57 VanDerWaalsContact O-CA 3.29Å; F53-P57 WeakPolarHBondContact O-CA 3.45Å
54F94.6Very high87.9Confident37 Ų3775.7 Ų75.716%0.16237%0.373CS..G310 helixtrans-77.9-13.2-176.5-60.1-67.6000114.3F29 I32 K33 A36 F49 S51 R52F29-F54 AromaticContact CE2-CD1 3.81Å; F29-F54 HydrophobicContact CE2-CD1 3.81Å; F29-F54 HydrophobicContact CZ-CD1 4.12Å; I32-F54 HydrophobicContact CG2-CE1 4.27Å; K33-F54 VanDerWaalsContact CA-CE1 3.47Å; K33-F54 HydrophobicContact CB-CD1 4.17Å; K33-F54 HydrophobicContact CB-CE1 3.69Å; K33-F54 HydrophobicContact CB-CZ 4.26Å; K33-F54 HydrophobicContact CG-CD1 4.19Å; K33-F54 HydrophobicContact CG-CE1 4.08Å; A36-F54 HydrophobicContact CB-CE2 3.61Å; A36-F54 HydrophobicContact CB-CZ 3.5Å; F49-F54 HydrophobicContact CE2-CE2 4.12Å; F49-F54 AromaticContact CE2-CZ 3.97Å; F49-F54 HydrophobicContact CE2-CZ 3.97Å; S51-F54 VanDerWaalsContact O-CD2 3.31Å; S51-F54 WeakPolarHBondContact O-CD2 2.93Å; S51-F54 PolarHBondContact O-N 3.47Å; R52-F54 PolarHBondContact O-N 2.83Å; R52-F54 VanDerWaalsContact O-N 3.16Å
55D94.1Very high86Confident101 Ų10173.4 Ų73.454%0.5436%0.363SS..THydrogen-bonded Turntrans-79.3-32.8-179.2-61.7-33.3000112.1R52 F53R52-D55 PolarHBondContact O-N 3.1Å; R52-D55 VanDerWaalsContact O-N 3.1Å; F53-D55 VanDerWaalsContact C-N 3.31Å; F53-D55 PolarHBondContact O-N 3.36Å
56N93.7Very high83.7Confident117 Ų11776.3 Ų76.363%0.62637%0.366SS*.SBendtrans-14873.2175.6-166.747.4000110.5F53 T182F53-N56 CarbonylContact O-C 3.53Å; N56-T182 PolarHBondContact OD1-OG1 2.96Å; N56-T182 VanDerWaalsContact OD1-OG1 3.05Å
57P95.1Very high81.6Confident6 Ų673 Ų734%0.03936%0.359CS..  trans-66.5143.7-177.228.6-37.2000111.6F29 F53 L59 I178 T182F29-P57 HydrophobicContact CD2-CB 4.12Å; F29-P57 HydrophobicContact CD2-CG 4.09Å; F29-P57 HydrophobicContact CE2-CB 3.95Å; F29-P57 HydrophobicContact CE2-CG 3.7Å; F53-P57 HydrophobicContact CE1-CB 4.44Å; F53-P57 HydrophobicContact CE2-CB 4.43Å; F53-P57 HydrophobicContact CZ-CB 4.17Å; F53-P57 VanDerWaalsContact O-CA 3.29Å; F53-P57 WeakPolarHBondContact O-CA 3.45Å; P57-L59 HydrophobicContact CB-CD2 4.16Å; P57-L59 HydrophobicContact CG-CD2 4.05Å; P57-L59 HydrophobicContact CG-CG 4.29Å; P57-L59 PolarHBondContact O-N 3.3Å; P57-L59 VanDerWaalsContact O-N 3.15Å; P57-I178 HydrophobicContact CG-CG2 4.5Å; P57-T182 HydrophobicContact CG-CG2 4.23Å
58K94.2Very high79.4Confident128 Ų12876.2 Ų76.256%0.55737%0.372SS*.  trans-76.199.2167.6-173.6-179.3179.9-170.50108.8A19 Q20A19-K58 WeakPolarHBondContact CA-O 3.38Å; Q20-K58 HydrophobicContact CB-CD 4.43Å; Q20-K58 PolarHBondContact N-O 3.39Å; Q20-K58 VanDerWaalsContact OE1-CE 3.28Å
59L93.4Very high77.4Confident23 Ų2369 Ų6912%0.1235%0.348CS..BIsolated β-bridgetrans-85.9141.3176.1-57.3177000110.1P18 A19 P57 I178 T182 I183P18-L59 WeakPolarHBondContact O-CA 3.43Å; A19-L59 HydrophobicContact CB-CD2 4.06Å; P57-L59 HydrophobicContact CB-CD2 4.16Å; P57-L59 HydrophobicContact CG-CD2 4.05Å; P57-L59 HydrophobicContact CG-CG 4.29Å; P57-L59 PolarHBondContact O-N 3.3Å; P57-L59 VanDerWaalsContact O-N 3.15Å; L59-I178 HydrophobicContact CD1-CD1 4.21Å; L59-I178 HydrophobicContact CD1-CG2 3.69Å; L59-I178 HydrophobicContact CD2-CD1 4.17Å; L59-T182 HydrophobicContact CD1-CG2 4.17Å; L59-I183 HydrophobicContact CD1-CG1 4.31Å
60I90.3Very high75.6Confident27 Ų2773.1 Ų73.114%0.13837%0.367CS..PPolyproline II helixtrans-103.2136.3175.8-54.8-57.6000107.6P18 Q20 I26 L65P18-I60 HydrophobicContact CB-CB 4.49Å; P18-I60 HydrophobicContact CG-CB 4.35Å; P18-I60 WeakPolarHBondContact CG-O 3.14Å; P18-I60 PolarHBondContact O-N 2.98Å; Q20-I60 HydrophobicContact CB-CD1 3.92Å; Q20-I60 HydrophobicContact CB-CG1 3.89Å; I26-I60 HydrophobicContact CD1-CG1 4.12Å; I60-L65 HydrophobicContact CG2-CD1 4.47Å; I60-L65 HydrophobicContact CG2-CD2 4.16Å; I60-L65 HydrophobicContact CG2-CG 4.18Å
61N79.5Confident73.8Confident43 Ų4375.8 Ų75.823%0.2338%0.376CS..PPolyproline II helixtrans-81.1130.8169.2-55.6-57.5000107.8C63 D64 S186N61-C63 PolarHBondContact O-N 3.44Å; N61-C63 VanDerWaalsContact O-N 3.1Å; N61-D64 WeakPolarHBondContact CB-OD2 3.42Å; N61-D64 PolarHBondContact N-OD2 3.11Å; N61-D64 PolarHBondContact ND2-OD2 2.89Å; N61-D64 WeakPolarHBondContact O-CB 3.14Å; N61-D64 PolarHBondContact O-N 2.86Å; N61-S186 PolarHBondContact ND2-O 3.42Å
62V66.3Low72.4Confident42 Ų4280.2 Ų80.226%0.25539%0.39SS..THydrogen-bonded Turntrans-61.7-20.7178.5175.50000111.5L6 P18 D64 L65L6-V62 HydrophobicContact CD1-CG1 3.84Å; L6-V62 HydrophobicContact CD2-CG1 3.67Å; L6-V62 HydrophobicContact CG-CG1 4.38Å; P18-V62 HydrophobicContact CG-CG2 3.79Å; V62-D64 VanDerWaalsContact C-N 3.3Å; V62-D64 PolarHBondContact O-N 2.86Å; V62-L65 PolarHBondContact O-N 3.31Å
63C54.9Low70.8Confident80 Ų8075.3 Ų75.354%0.54138%0.377SS..THydrogen-bonded Turntrans-63.1-34169.6-60.90000112.7N61 L65 R66N61-C63 PolarHBondContact O-N 3.44Å; N61-C63 VanDerWaalsContact O-N 3.1Å; C63-L65 PolarHBondContact O-N 3.22Å; C63-R66 WeakPolarHBondContact O-CB 3.47Å; C63-R66 PolarHBondContact O-N 2.99Å; C63-R66 VanDerWaalsContact O-N 3.09Å
64D49.4Very low69.3Low56 Ų5677.3 Ų77.330%0.29939%0.394SS..G310 helixtrans-73.2-18.2-178.4-52.1-19.5000111.7N61 V62 R66 T190N61-D64 WeakPolarHBondContact CB-OD2 3.42Å; N61-D64 PolarHBondContact N-OD2 3.11Å; N61-D64 PolarHBondContact ND2-OD2 2.89Å; N61-D64 WeakPolarHBondContact O-CB 3.14Å; N61-D64 PolarHBondContact O-N 2.86Å; V62-D64 VanDerWaalsContact C-N 3.3Å; V62-D64 PolarHBondContact O-N 2.86Å; D64-R66 PolarHBondContact O-N 3.36Å; D64-T190 WeakPolarHBondContact OD1-CG2 3.31Å
65L53.7Low67.6Low36 Ų3681.7 Ų81.719%0.18842%0.415CS..G310 helixtrans-78.6-7.2173.9-60175.9000112.3L6 I60 V62 C63L6-L65 HydrophobicContact CD2-CB 3.94Å; L6-L65 HydrophobicContact CD2-CD1 3.32Å; L6-L65 HydrophobicContact CD2-CG 4.25Å; I60-L65 HydrophobicContact CG2-CD1 4.47Å; I60-L65 HydrophobicContact CG2-CD2 4.16Å; I60-L65 HydrophobicContact CG2-CG 4.18Å; V62-L65 PolarHBondContact O-N 3.31Å; C63-L65 PolarHBondContact O-N 3.22Å
66R48.7Very low66Low113 Ų11381.8 Ų81.843%0.42641%0.414SS..G310 helixtrans-102.23.8-175.8-57.7-179.8-177.6175.4-0.7114.3C63 D64 N68 D69 Q70C63-R66 WeakPolarHBondContact O-CB 3.47Å; C63-R66 PolarHBondContact O-N 2.99Å; C63-R66 VanDerWaalsContact O-N 3.09Å; D64-R66 PolarHBondContact O-N 3.36Å; R66-N68 PolarHBondContact O-N 3.11Å; R66-D69 PolarHBondContact O-N 2.81Å; R66-Q70 PolarHBondContact O-N 3.25Å; R66-Q70 VanDerWaalsContact O-N 3.1Å
67E49.2Very low64.7Low129 Ų12980.3 Ų80.360%0.60341%0.409SS*.THydrogen-bonded Turntrans-59.8-15.1-180-68.7-172.7163.800113.3
68N49.4Very low63.2Low121 Ų12183.1 Ų83.165%0.64742%0.424SS*.THydrogen-bonded Turntrans-98.70171.8-71-46.7000115.1R66R66-N68 PolarHBondContact O-N 3.11Å
69D53.3Low61.9Low37 Ų3781.7 Ų81.720%0.19842%0.422CS..THydrogen-bonded Turntrans-122.4-4.4179.6-69-46000113.2M1 R66 D71 K72 L73M1-D69 PolarHBondContact N-OD1 3.02Å; M1-D69 PolarHBondContact N-OD2 2.88Å; R66-D69 PolarHBondContact O-N 2.81Å; D69-D71 PolarHBondContact O-N 2.73Å; D69-K72 PolarHBondContact O-N 2.86Å; D69-L73 PolarHBondContact O-N 2.87Å; D69-L73 VanDerWaalsContact O-N 3.11Å
70Q57.3Low60.5Low105 Ų10584 Ų8449%0.49144%0.439SS..Hα-helixtrans-59.9-32.7173.5-102.5146-21.300112.6R66 K72 L73 S74R66-Q70 PolarHBondContact O-N 3.25Å; R66-Q70 VanDerWaalsContact O-N 3.1Å; Q70-K72 VanDerWaalsContact C-N 3.26Å; Q70-K72 PolarHBondContact O-N 2.95Å; Q70-L73 PolarHBondContact O-N 2.88Å; Q70-S74 WeakPolarHBondContact O-CB 3.48Å; Q70-S74 PolarHBondContact O-N 3.12Å; Q70-S74 PolarHBondContact O-OG 2.96Å; Q70-S74 VanDerWaalsContact O-OG 3.13Å
71D56.3Low59.3Low127 Ų12789.4 Ų89.468%0.67946%0.464SS*.Hα-helixtrans-67.3-24173.1-67.6-23.8000113.3D69 S74 H75D69-D71 PolarHBondContact O-N 2.73Å; D71-S74 WeakPolarHBondContact CA-OG 3.33Å; D71-S74 PolarHBondContact O-OG 3.16Å; D71-H75 WeakPolarHBondContact O-CB 3.42Å; D71-H75 PolarHBondContact O-N 3.47Å
72K60.7Low58.6Low140 Ų14095.9 Ų95.961%0.60949%0.485SS*.Hα-helixtrans-85.5-36.7176.1-73.5-176.3178.9-179.60112.3D69 Q70 H75 I76D69-K72 PolarHBondContact O-N 2.86Å; Q70-K72 VanDerWaalsContact C-N 3.26Å; Q70-K72 PolarHBondContact O-N 2.95Å; K72-H75 PolarHBondContact O-N 2.64Å; K72-I76 VanDerWaalsContact O-CG1 3.31Å; K72-I76 WeakPolarHBondContact O-CG1 3.22Å; K72-I76 PolarHBondContact O-N 3.39Å
73L58.5Low58.5Low92 Ų92100.3 Ų100.348%0.48251%0.506SS..Hα-helixtrans-68.3-40.7174.3-95.2153.6000111.4D69 Q70 H75 I76 V77D69-L73 PolarHBondContact O-N 2.87Å; D69-L73 VanDerWaalsContact O-N 3.11Å; Q70-L73 PolarHBondContact O-N 2.88Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.46Å; L73-I76 PolarHBondContact O-N 2.98Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.04Å; L73-V77 PolarHBondContact O-N 3.04Å
74S61.7Low58.7Low63 Ų6399.6 Ų99.644%0.44150%0.502SS..Hα-helixtrans-62-39.3172.863.50000111.4Q70 D71 V77 D78Q70-S74 WeakPolarHBondContact O-CB 3.48Å; Q70-S74 PolarHBondContact O-N 3.12Å; Q70-S74 PolarHBondContact O-OG 2.96Å; Q70-S74 VanDerWaalsContact O-OG 3.13Å; D71-S74 WeakPolarHBondContact CA-OG 3.33Å; D71-S74 PolarHBondContact O-OG 3.16Å; S74-V77 PolarHBondContact O-N 3.37Å; S74-D78 VanDerWaalsContact O-CB 3.25Å; S74-D78 WeakPolarHBondContact O-CB 3.35Å; S74-D78 PolarHBondContact O-N 2.78Å
75H60Low59.1Low129 Ų129103 Ų10360%0.59753%0.526SS*.Hα-helixtrans-67.1-34.8175.8-132.8-95.5000113.3D71 K72 L73 L79D71-H75 WeakPolarHBondContact O-CB 3.42Å; D71-H75 PolarHBondContact O-N 3.47Å; K72-H75 PolarHBondContact O-N 2.64Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.46Å; H75-L79 WeakPolarHBondContact O-CB 3.27Å; H75-L79 PolarHBondContact O-N 3.14Å
76I61.2Low58.9Low103 Ų103107.8 Ų107.853%0.52855%0.55SS.*Hα-helixtrans-73-40.9175.9-68.8164.9000110.8K72 L73 L79 C80K72-I76 VanDerWaalsContact O-CG1 3.31Å; K72-I76 WeakPolarHBondContact O-CG1 3.22Å; K72-I76 PolarHBondContact O-N 3.39Å; L73-I76 PolarHBondContact O-N 2.98Å; I76-L79 PolarHBondContact O-N 3.35Å; I76-C80 VanDerWaalsContact O-CB 3.29Å; I76-C80 WeakPolarHBondContact O-CB 3.26Å; I76-C80 PolarHBondContact O-N 3.41Å
77V66Low58.9Low86 Ų86108.7 Ų108.752%0.52157%0.571SS.*Hα-helixtrans-64.3-45.4174.9175.20000110.1L73 S74 L79 C80 E81L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.04Å; L73-V77 PolarHBondContact O-N 3.04Å; S74-V77 PolarHBondContact O-N 3.37Å; V77-L79 PolarHBondContact O-N 2.98Å; V77-C80 PolarHBondContact O-N 3.28Å; V77-E81 VanDerWaalsContact O-CB 3.26Å; V77-E81 WeakPolarHBondContact O-CB 3.41Å; V77-E81 PolarHBondContact O-N 3.18Å
78D64.1Low58.9Low65 Ų65110.5 Ų110.535%0.34858%0.58SS.*Hα-helixtrans-62.6-41.4175-172.860.6000111.8S74 E81 R82S74-D78 VanDerWaalsContact O-CB 3.25Å; S74-D78 WeakPolarHBondContact O-CB 3.35Å; S74-D78 PolarHBondContact O-N 2.78Å; D78-E81 PolarHBondContact O-N 3.43Å; D78-R82 VanDerWaalsContact O-CB 3.31Å; D78-R82 WeakPolarHBondContact O-CB 2.99Å; D78-R82 WeakPolarHBondContact O-CD 3.41Å; D78-R82 WeakPolarHBondContact O-CG 3.12Å; D78-R82 PolarHBondContact O-N 3.02Å; D78-R82 VanDerWaalsContact OD2-CD 3.3Å; D78-R82 WeakPolarHBondContact OD2-CD 3.39Å; D78-R82 IonicContact OD2-NH1 2.88Å; D78-R82 PolarHBondContact OD2-NH1 3.23Å
79L66.6Low58.8Low98 Ų98109.3 Ų109.351%0.51358%0.58SS.*Hα-helixtrans-65.1-43.7175.6-152.986.1000111.3H75 I76 V77 R82 L83H75-L79 WeakPolarHBondContact O-CB 3.27Å; H75-L79 PolarHBondContact O-N 3.14Å; I76-L79 PolarHBondContact O-N 3.35Å; V77-L79 PolarHBondContact O-N 2.98Å; L79-R82 PolarHBondContact O-N 3.17Å; L79-L83 HydrophobicContact CD2-CD1 4.1Å; L79-L83 HydrophobicContact CG-CD1 3.99Å; L79-L83 VanDerWaalsContact O-CB 3.25Å; L79-L83 WeakPolarHBondContact O-CB 3.32Å; L79-L83 VanDerWaalsContact O-CD1 3.31Å; L79-L83 WeakPolarHBondContact O-CD1 3.47Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-L83 PolarHBondContact O-N 3.15Å
80C63.6Low58.5Low72 Ų72114.2 Ų114.249%0.48661%0.611SS.*Hα-helixtrans-62-43.6174.4-88.30000111.1I76 V77 L83 S84I76-C80 VanDerWaalsContact O-CB 3.29Å; I76-C80 WeakPolarHBondContact O-CB 3.26Å; I76-C80 PolarHBondContact O-N 3.41Å; V77-C80 PolarHBondContact O-N 3.28Å; C80-L83 CarbonylContact O-C 3.55Å; C80-L83 PolarHBondContact O-N 3.11Å; C80-S84 WeakPolarHBondContact O-CB 3.23Å; C80-S84 PolarHBondContact O-N 3.47Å; C80-S84 PolarHBondContact O-OG 3.43Å
81E64.1Low57.9Low140 Ų140115.5 Ų115.565%0.65462%0.622SS**Hα-helixtrans-67-38.4-179.6-157.3161.5-151.300111.4V77 D78 S84V77-E81 VanDerWaalsContact O-CB 3.26Å; V77-E81 WeakPolarHBondContact O-CB 3.41Å; V77-E81 PolarHBondContact O-N 3.18Å; D78-E81 PolarHBondContact O-N 3.43Å; E81-S84 PolarHBondContact O-N 2.96Å
82R66Low57.1Low179 Ų179114.4 Ų114.468%0.67563%0.63SS**Hα-helixtrans-70-32173.3-68.6170.184.7169.46.6113.2D78 L79D78-R82 VanDerWaalsContact O-CB 3.31Å; D78-R82 WeakPolarHBondContact O-CB 2.99Å; D78-R82 WeakPolarHBondContact O-CD 3.41Å; D78-R82 WeakPolarHBondContact O-CG 3.12Å; D78-R82 PolarHBondContact O-N 3.02Å; D78-R82 VanDerWaalsContact OD2-CD 3.3Å; D78-R82 WeakPolarHBondContact OD2-CD 3.39Å; D78-R82 IonicContact OD2-NH1 2.88Å; D78-R82 PolarHBondContact OD2-NH1 3.23Å; L79-R82 PolarHBondContact O-N 3.17Å
83L62.9Low56.4Low135 Ų135112.3 Ų112.371%0.70763%0.633SS**Hα-helixtrans-81.7-13.4174.7-71.2164.2000113.1L79 C80L79-L83 HydrophobicContact CD2-CD1 4.1Å; L79-L83 HydrophobicContact CG-CD1 3.99Å; L79-L83 VanDerWaalsContact O-CB 3.25Å; L79-L83 WeakPolarHBondContact O-CB 3.32Å; L79-L83 VanDerWaalsContact O-CD1 3.31Å; L79-L83 WeakPolarHBondContact O-CD1 3.47Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-L83 PolarHBondContact O-N 3.15Å; C80-L83 CarbonylContact O-C 3.55Å; C80-L83 PolarHBondContact O-N 3.11Å
84S59Low55.5Low65 Ų65115.7 Ų115.746%0.45565%0.652SS.*  trans-101.432.4-173.9-58.40000113.9C80 E81 L86C80-S84 WeakPolarHBondContact O-CB 3.23Å; C80-S84 PolarHBondContact O-N 3.47Å; C80-S84 PolarHBondContact O-OG 3.43Å; E81-S84 PolarHBondContact O-N 2.96Å; S84-L86 PolarHBondContact O-N 3.1Å; S84-L86 VanDerWaalsContact O-O 3.11Å
85T58.5Low54.9Low129 Ų129116.4 Ų116.479%0.79166%0.657SS**  trans-6623.8173.928.40000114.7
86L50.8Low54.5Low135 Ų135117.9 Ų117.971%0.70767%0.669SS**SBendtrans-99.5135162.1-95.574.7000109.7S84 Q88S84-L86 PolarHBondContact O-N 3.1Å; S84-L86 VanDerWaalsContact O-O 3.11Å; L86-Q88 PolarHBondContact O-N 3Å
87P47.4Very low54.8Low133 Ų133120.4 Ų120.486%0.86468%0.679SS**  trans-70.995.4-17629.8-32.3000109.8S89P87-S89 PolarHBondContact O-N 2.83Å
88Q49.1Very low55.1Low167 Ų167122.3 Ų122.378%0.7869%0.686SS**  trans-84.9107.7166.1-71.7-174.51400108.4L86 V90L86-Q88 PolarHBondContact O-N 3Å; Q88-V90 PolarHBondContact O-N 2.71Å
89S47.2Very low55.8Low95 Ų95122.3 Ų122.366%0.66469%0.689SS**  trans-48.2110.1171.355.30000110.6P87 N91P87-S89 PolarHBondContact O-N 2.83Å; S89-N91 PolarHBondContact O-N 2.85Å
90V47.1Very low56.9Low140 Ų140121.1 Ų121.185%0.84869%0.689SS**  trans-71.185.7165.8-75.90000108.5Q88 A92Q88-V90 PolarHBondContact O-N 2.71Å; V90-A92 VanDerWaalsContact C-N 3.26Å; V90-A92 PolarHBondContact O-N 3Å
91N45.2Very low58.4Low132 Ų132122.1 Ų122.171%0.70668%0.683SS**  trans-69.793.8162.5-77.1-20.5000107.3S89 S93S89-N91 PolarHBondContact O-N 2.85Å; N91-S93 PolarHBondContact O-N 2.69Å
92A40.1Very low60Low104 Ų104115.8 Ų115.886%0.8665%0.654SS**  trans-64.171.1156.800000108.6V90 N94V90-A92 VanDerWaalsContact C-N 3.26Å; V90-A92 PolarHBondContact O-N 3Å; A92-N94 PolarHBondContact O-N 3.26Å
93S45.3Very low61.5Low96 Ų96107.3 Ų107.367%0.67162%0.622SS**  trans-85.9106.9170.148.60000107.8N91 S95N91-S93 PolarHBondContact O-N 2.69Å; S93-S95 PolarHBondContact O-N 3.26Å
94N39.4Very low63.2Low163 Ų163100.9 Ų100.987%0.87259%0.589SS**  trans-25.4101.5155.5-85.9-37.6000110.3A92 N96A92-N94 PolarHBondContact O-N 3.26Å; N94-N96 PolarHBondContact O-N 3.06Å; N94-N96 VanDerWaalsContact O-N 3.07Å
95S49.9Very low65.1Low79 Ų7999.6 Ų99.655%0.55257%0.574SS**  trans-67.8112.2174.446.60000107S93 E97S93-S95 PolarHBondContact O-N 3.26Å; S95-E97 WeakPolarHBondContact CB-OE1 3.44Å; S95-E97 PolarHBondContact O-N 3.18Å; S95-E97 PolarHBondContact OG-OE1 2.99Å
96N50.3Low67Low159 Ų15995.2 Ų95.285%0.8555%0.545SS*.  trans-61.579151-84.3-31000106.3N94 L98N94-N96 PolarHBondContact O-N 3.06Å; N94-N96 VanDerWaalsContact O-N 3.07Å; N96-L98 PolarHBondContact O-N 2.8Å
97E68.7Low69.2Low157 Ų15788.9 Ų88.973%0.73451%0.512SS*.  trans-55.3105177.4-68.6-85.3132.600107.5S95S95-E97 WeakPolarHBondContact CB-OE1 3.44Å; S95-E97 PolarHBondContact O-N 3.18Å; S95-E97 PolarHBondContact OG-OE1 2.99Å
98L71.9Confident71.4Confident126 Ų12686.2 Ų86.266%0.6649%0.487SS*.  trans-55.8142.2172.2-86.4102.5000108.7N96 S100N96-L98 PolarHBondContact O-N 2.8Å; L98-S100 PolarHBondContact O-N 3.45Å
99P79.8Confident73.6Confident64 Ų6485.6 Ų85.642%0.41648%0.484SS..  trans-57.8115.7178.721-30.9000110.2Y101 L167P99-Y101 HydrophobicContact CB-CE2 4.21Å; P99-Y101 HydrophobicContact CG-CE2 4.14Å; P99-Y101 VanDerWaalsContact O-CD2 3.26Å; P99-Y101 WeakPolarHBondContact O-CD2 3.33Å; P99-L167 HydrophobicContact CB-CD2 3.47Å; P99-L167 VanDerWaalsContact CB-CD2 3.47Å
100S89.3Confident76Confident73 Ų7382.4 Ų82.451%0.5147%0.466SS..  trans-76.4124.4174.1-177.40000109.7L98 L168L98-S100 PolarHBondContact O-N 3.45Å; S100-L168 VanDerWaalsContact O-CB 3.32Å; S100-L168 WeakPolarHBondContact O-CB 3.33Å; S100-L168 PolarHBondContact O-N 3.43Å
101Y94.7Very high78.4Confident93 Ų9378.2 Ų78.237%0.36544%0.435SS..EExtended strand (participates in β ladder)trans-99.5155.4179.4-73.9-91.9000111.2P99 R165 D166 L167P99-Y101 HydrophobicContact CB-CE2 4.21Å; P99-Y101 HydrophobicContact CG-CE2 4.14Å; P99-Y101 VanDerWaalsContact O-CD2 3.26Å; P99-Y101 WeakPolarHBondContact O-CD2 3.33Å; Y101-R165 VanDerWaalsContact CB-CZ 3.49Å; Y101-R165 HydrophobicContact CD1-CG 4.32Å; Y101-R165 VanDerWaalsContact CG-CZ 3.48Å; Y101-D166 CarbonylContact C-O 3.57Å; Y101-D166 WeakPolarHBondContact CA-O 3.38Å; Y101-D166 WeakPolarHBondContact CD1-O 3.14Å; Y101-L167 HydrophobicContact CD1-CD2 4.4Å; Y101-L167 HydrophobicContact CE1-CD2 3.99Å; Y101-L167 HydrophobicContact CE2-CD2 4.44Å
102S97.3Very high81Confident8 Ų873.6 Ų73.66%0.05641%0.408CS..EExtended strand (participates in β ladder)trans-144.5172.7173.2-163.40000111F104 Q113 C119 R165 D166S102-F104 WeakPolarHBondContact O-CD2 3.4Å; S102-F104 VanDerWaalsContact O-CE2 3.27Å; S102-F104 WeakPolarHBondContact O-CE2 3.12Å; S102-Q113 WeakPolarHBondContact OG-CG 3.31Å; S102-Q113 PolarHBondContact OG-NE2 3.15Å; S102-C119 PolarHBondContact OG-SG 3.2Å; S102-C119 VanDerWaalsContact OG-SG 3.41Å; S102-R165 WeakPolarHBondContact O-CA 3.38Å; S102-D166 PolarHBondContact N-O 3.39Å; S102-D166 PolarHBondContact O-N 3.1Å
103W98.5Very high83.7Confident1 Ų169.7 Ų69.70%0.00437%0.372CS..EExtended strand (participates in β ladder)trans-107140-178.8-72.584.3000110.9Q113 Y114 L122 E123 F126 L146 M149 I163 K164 R165W103-Q113 WeakPolarHBondContact O-CA 3.47Å; W103-Y114 HydrophobicContact CB-CD2 3.71Å; W103-Y114 HydrophobicContact CB-CE2 4.3Å; W103-Y114 WeakPolarHBondContact O-CD2 3.28Å; W103-Y114 PolarHBondContact O-N 3.32Å; W103-L122 HydrophobicContact CB-CD1 3.84Å; W103-L122 HydrophobicContact CD2-CB 3.73Å; W103-L122 HydrophobicContact CD2-CD1 4.05Å; W103-L122 HydrophobicContact CE3-CB 4.27Å; W103-L122 HydrophobicContact CE3-CD1 4.09Å; W103-L122 HydrophobicContact CG-CB 3.8Å; W103-L122 HydrophobicContact CG-CD1 3.94Å; W103-L122 HydrophobicContact CZ2-CB 4.48Å; W103-E123 PolarHBondContact NE1-OE2 3.36Å; W103-F126 HydrophobicContact CH2-CB 3.97Å; W103-F126 AromaticContact CH2-CD2 3.71Å; W103-F126 HydrophobicContact CH2-CD2 3.71Å; W103-F126 HydrophobicContact CH2-CE2 4.44Å; W103-F126 AromaticContact CH2-CG 3.95Å; W103-F126 HydrophobicContact CH2-CG 3.95Å; W103-F126 HydrophobicContact CZ2-CB 3.52Å; W103-F126 HydrophobicContact CZ2-CD1 4.31Å; W103-F126 AromaticContact CZ2-CD2 3.92Å; W103-F126 HydrophobicContact CZ2-CD2 3.92Å; W103-F126 AromaticContact CZ2-CG 3.66Å; W103-F126 HydrophobicContact CZ2-CG 3.66Å; W103-L146 HydrophobicContact CH2-CD2 3.81Å; W103-L146 HydrophobicContact CZ3-CD2 3.96Å; W103-M149 HydrophobicContact CH2-CE 4.29Å; W103-M149 HydrophobicContact CZ3-CE 3.79Å; W103-I163 HydrophobicContact CZ3-CD1 4.16Å; W103-I163 HydrophobicContact CZ3-CG1 4.41Å; W103-K164 WeakPolarHBondContact CA-O 3.27Å; W103-R165 HydrophobicContact CD2-CB 4.23Å; W103-R165 HydrophobicContact CE3-CB 4.29Å; W103-R165 HydrophobicContact CH2-CB 4.03Å; W103-R165 HydrophobicContact CZ2-CB 3.93Å; W103-R165 HydrophobicContact CZ2-CG 4.11Å; W103-R165 HydrophobicContact CZ3-CB 4.21Å
104F98.7Very high86.3Confident0 Ų065.4 Ų65.40%034%0.341CS..EExtended strand (participates in β ladder)trans-133.6150-175.8-54.6-98.7000111.2S102 W111 W112 Q113 I163 K164 D166 C170 K172S102-F104 WeakPolarHBondContact O-CD2 3.4Å; S102-F104 VanDerWaalsContact O-CE2 3.27Å; S102-F104 WeakPolarHBondContact O-CE2 3.12Å; F104-W111 HydrophobicContact CB-CB 4.3Å; F104-W111 HydrophobicContact CB-CE3 4.02Å; F104-W111 HydrophobicContact CD1-CB 4.49Å; F104-W112 CarbonylContact C-O 3.43Å; F104-W112 WeakPolarHBondContact CA-O 3.33Å; F104-W112 WeakPolarHBondContact CB-O 3.45Å; F104-Q113 HydrophobicContact CD1-CB 3.93Å; F104-Q113 HydrophobicContact CD1-CG 4.24Å; F104-Q113 HydrophobicContact CE1-CB 3.88Å; F104-Q113 HydrophobicContact CE1-CG 3.95Å; F104-Q113 HydrophobicContact CZ-CG 4.34Å; F104-I163 CarbonylContact O-C 3.47Å; F104-I163 WeakPolarHBondContact O-CA 3.39Å; F104-I163 WeakPolarHBondContact O-CB 3.33Å; F104-K164 HydrophobicContact CB-CG 3.84Å; F104-K164 HydrophobicContact CD2-CG 4.29Å; F104-K164 HydrophobicContact CG-CG 4.43Å; F104-K164 PolarHBondContact N-O 3.46Å; F104-K164 PolarHBondContact O-N 3.41Å; F104-D166 HydrophobicContact CD2-CB 3.93Å; F104-D166 HydrophobicContact CE2-CB 3.78Å; F104-C170 WeakPolarHBondContact CE1-SG 3.46Å; F104-C170 WeakPolarHBondContact CZ-SG 3.28Å; F104-K172 HydrophobicContact CE1-CB 4.29Å; F104-K172 HydrophobicContact CE1-CD 4.13Å
105Y98.6Very high89Confident38 Ų3858 Ų5815%0.14930%0.301CS..EExtended strand (participates in β ladder)trans-124.1147.9171.961.6-83.8000111.8G107 W111 W112 Y114 R162 G177Y105-G107 PolarHBondContact O-N 3Å; Y105-W111 VanDerWaalsContact C-CE3 3.48Å; Y105-W112 HydrophobicContact CD1-CB 4Å; Y105-W112 WeakPolarHBondContact CD1-O 3.47Å; Y105-W112 HydrophobicContact CD2-CB 4.01Å; Y105-W112 HydrophobicContact CE1-CB 3.5Å; Y105-W112 VanDerWaalsContact CE1-CB 3.5Å; Y105-W112 HydrophobicContact CE2-CB 3.52Å; Y105-W112 AromaticContact CE2-CD1 3.83Å; Y105-W112 AromaticContact CE2-CG 3.82Å; Y105-W112 HydrophobicContact CE2-CG 3.82Å; Y105-W112 HydrophobicContact CG-CB 4.24Å; Y105-W112 AromaticContact CZ-CG 3.84Å; Y105-W112 PolarHBondContact N-O 3.22Å; Y105-W112 PolarHBondContact O-N 3.2Å; Y105-Y114 AromaticContact CD1-CD1 3.63Å; Y105-Y114 HydrophobicContact CD1-CD1 3.63Å; Y105-Y114 AromaticContact CD1-CD2 3.92Å; Y105-Y114 HydrophobicContact CD1-CD2 3.92Å; Y105-Y114 AromaticContact CD1-CE1 3.57Å; Y105-Y114 HydrophobicContact CD1-CE1 3.57Å; Y105-Y114 AromaticContact CD1-CE2 3.88Å; Y105-Y114 HydrophobicContact CD1-CE2 3.88Å; Y105-Y114 AromaticContact CD1-CG 3.82Å; Y105-Y114 HydrophobicContact CD1-CG 3.82Å; Y105-Y114 AromaticContact CD1-CZ 3.72Å; Y105-Y114 AromaticContact CE1-CD1 3.98Å; Y105-Y114 HydrophobicContact CE1-CD1 3.98Å; Y105-Y114 HydrophobicContact CE1-CE1 4.26Å; Y105-Y114 HydrophobicContact CE1-CG 4.26Å; Y105-Y114 HydrophobicContact CG-CE1 4.14Å; Y105-Y114 HydrophobicContact CG-CE2 4.37Å; Y105-R162 WeakPolarHBondContact CA-O 3.36Å; Y105-G177 PolarHBondContact OH-N 3.26Å
106E98.2Very high91.1Very high36 Ų3660.6 Ų60.617%0.16831%0.305CS..EExtended strand (participates in β ladder)trans-72.3125.7-177.4-177.7174.4-147.900111.3W111 R161 R162E106-W111 HydrophobicContact CB-CE3 4.25Å; E106-W111 HydrophobicContact CB-CH2 4.22Å; E106-W111 HydrophobicContact CB-CZ3 3.93Å; E106-R161 WeakPolarHBondContact O-CD 3.27Å; E106-R161 PolarHBondContact O-NH1 3.05Å; E106-R162 HydrophobicContact CB-CB 4.15Å; E106-R162 WeakPolarHBondContact CB-O 3.45Å; E106-R162 VanDerWaalsContact CD-NE 3.31Å; E106-R162 PolarHBondContact N-O 3.39Å; E106-R162 IonicContact OE1-CZ 3.37Å; E106-R162 IonicContact OE1-NE 3.25Å; E106-R162 PolarHBondContact OE1-NE 3.46Å; E106-R162 IonicContact OE1-NH2 2.68Å; E106-R162 PolarHBondContact OE1-NH2 2.98Å; E106-R162 WeakPolarHBondContact OE2-CB 3.31Å; E106-R162 WeakPolarHBondContact OE2-CG 3.47Å; E106-R162 IonicContact OE2-CZ 3.79Å; E106-R162 PolarHBondContact OE2-N 3.48Å; E106-R162 IonicContact OE2-NE 2.89Å; E106-R162 PolarHBondContact OE2-NE 2.83Å; E106-R162 IonicContact OE2-NH2 3.84Å
107G96.3Very high93.3Very high3 Ų356.3 Ų56.33%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-104.6-175165.900000111.7Y105 Q109 G110Y105-G107 PolarHBondContact O-N 3Å; G107-Q109 PolarHBondContact O-N 3.41Å; G107-G110 WeakPolarHBondContact CA-O 3.43Å; G107-G110 PolarHBondContact N-O 3.5Å
108F94.7Very high94.7Very high76 Ų7649.1 Ų49.133%0.33324%0.244SC..THydrogen-bonded Turntrans-62.4119.6165.5-176.9-102.5000109.8G110 K173 Y253 D257F108-G110 PolarHBondContact O-N 3.22Å; F108-K173 PolarHBondContact O-NZ 2.97Å; F108-Y253 WeakPolarHBondContact CD2-OH 3.14Å; F108-Y253 HydrophobicContact CE2-CE1 4.3Å; F108-Y253 WeakPolarHBondContact CE2-OH 3.31Å; F108-D257 WeakPolarHBondContact CB-OD2 3.15Å; F108-D257 WeakPolarHBondContact CD2-OD2 3.3Å; F108-D257 WeakPolarHBondContact CG-OD2 3.25Å
109Q94.6Very high95.9Very high155 Ų15543.6 Ų43.672%0.72422%0.215SC*.THydrogen-bonded Turntrans47.958.1177.5-59.3-175.114.800113.4G107G107-Q109 PolarHBondContact O-N 3.41Å
110G97.1Very high96.7Very high27 Ų2744.7 Ų44.728%0.27822%0.218SC..EExtended strand (participates in β ladder)trans144.2-178.2171.700000113.4G107 F108G107-G110 WeakPolarHBondContact CA-O 3.43Å; G107-G110 PolarHBondContact N-O 3.5Å; F108-G110 PolarHBondContact O-N 3.22Å
111W98.3Very high97.1Very high53 Ų5344.4 Ų44.420%0.20121%0.208CC..EExtended strand (participates in β ladder)trans-110.2142.7-172.6-64.392.9000111.4F104 Y105 E106 R162 K164 K172 K173F104-W111 HydrophobicContact CB-CB 4.3Å; F104-W111 HydrophobicContact CB-CE3 4.02Å; F104-W111 HydrophobicContact CD1-CB 4.49Å; Y105-W111 VanDerWaalsContact C-CE3 3.48Å; E106-W111 HydrophobicContact CB-CE3 4.25Å; E106-W111 HydrophobicContact CB-CH2 4.22Å; E106-W111 HydrophobicContact CB-CZ3 3.93Å; W111-R162 HydrophobicContact CH2-CB 3.91Å; W111-R162 HydrophobicContact CZ3-CB 4.37Å; W111-K164 HydrophobicContact CD2-CD 3.9Å; W111-K164 VanDerWaalsContact CD2-CE 3.47Å; W111-K164 HydrophobicContact CD2-CG 4.26Å; W111-K164 HydrophobicContact CE3-CD 4.01Å; W111-K164 HydrophobicContact CE3-CG 3.85Å; W111-K164 HydrophobicContact CH2-CB 4.37Å; W111-K164 HydrophobicContact CH2-CD 4.08Å; W111-K164 HydrophobicContact CH2-CG 4.09Å; W111-K164 HydrophobicContact CZ2-CD 3.97Å; W111-K164 HydrophobicContact CZ2-CG 4.48Å; W111-K164 HydrophobicContact CZ3-CB 4.29Å; W111-K164 HydrophobicContact CZ3-CD 4.1Å; W111-K164 HydrophobicContact CZ3-CG 3.76Å; W111-K172 WeakPolarHBondContact O-CA 3.31Å; W111-K173 PolarHBondContact O-N 3.2Å
112W98.5Very high97.3Very high34 Ų3440 Ų4013%0.12919%0.191CC..EExtended strand (participates in β ladder)trans-109.9135.6169.4-68.295.9000108.5F104 Y105 K173 G177 K179F104-W112 CarbonylContact C-O 3.43Å; F104-W112 WeakPolarHBondContact CA-O 3.33Å; F104-W112 WeakPolarHBondContact CB-O 3.45Å; Y105-W112 HydrophobicContact CD1-CB 4Å; Y105-W112 WeakPolarHBondContact CD1-O 3.47Å; Y105-W112 HydrophobicContact CD2-CB 4.01Å; Y105-W112 HydrophobicContact CE1-CB 3.5Å; Y105-W112 VanDerWaalsContact CE1-CB 3.5Å; Y105-W112 HydrophobicContact CE2-CB 3.52Å; Y105-W112 AromaticContact CE2-CD1 3.83Å; Y105-W112 AromaticContact CE2-CG 3.82Å; Y105-W112 HydrophobicContact CE2-CG 3.82Å; Y105-W112 HydrophobicContact CG-CB 4.24Å; Y105-W112 AromaticContact CZ-CG 3.84Å; Y105-W112 PolarHBondContact N-O 3.22Å; Y105-W112 PolarHBondContact O-N 3.2Å; W112-K173 HydrophobicContact CD2-CB 3.98Å; W112-K173 HydrophobicContact CE3-CB 4.14Å; W112-K173 HydrophobicContact CH2-CB 4.07Å; W112-K173 HydrophobicContact CZ2-CB 3.91Å; W112-K173 HydrophobicContact CZ2-CD 4.28Å; W112-K173 HydrophobicContact CZ3-CB 4.19Å; W112-G177 VanDerWaalsContact CZ3-C 3.42Å; W112-G177 VanDerWaalsContact CZ3-CA 3.47Å; W112-K179 HydrophobicContact CH2-CG 4.34Å
113Q98.4Very high97.3Very high23 Ų2341.4 Ų41.411%0.10720%0.197CC..EExtended strand (participates in β ladder)trans-72.5141.8168.2-163.4-175.4-4400108.7S102 W103 F104 K172 G174 V175 A176S102-Q113 WeakPolarHBondContact OG-CG 3.31Å; S102-Q113 PolarHBondContact OG-NE2 3.15Å; W103-Q113 WeakPolarHBondContact O-CA 3.47Å; F104-Q113 HydrophobicContact CD1-CB 3.93Å; F104-Q113 HydrophobicContact CD1-CG 4.24Å; F104-Q113 HydrophobicContact CE1-CB 3.88Å; F104-Q113 HydrophobicContact CE1-CG 3.95Å; F104-Q113 HydrophobicContact CZ-CG 4.34Å; Q113-K172 HydrophobicContact CB-CD 4.24Å; Q113-G174 PolarHBondContact N-O 3.29Å; Q113-V175 HydrophobicContact CB-CB 4.49Å; Q113-V175 HydrophobicContact CB-CG1 4.31Å; Q113-V175 HydrophobicContact CB-CG2 4.18Å; Q113-V175 CarbonylContact O-C 3.53Å; Q113-V175 WeakPolarHBondContact O-CA 3.29Å; Q113-A176 PolarHBondContact O-N 2.86Å
114Y98.5Very high97.3Very high5 Ų545.7 Ų45.72%0.0222%0.22CC..PPolyproline II helixtrans-65.6162.3164.9-71.3-82.5000110.4W103 Y105 T118 C119 L122 I137 Q151 I163 V175W103-Y114 HydrophobicContact CB-CD2 3.71Å; W103-Y114 HydrophobicContact CB-CE2 4.3Å; W103-Y114 WeakPolarHBondContact O-CD2 3.28Å; W103-Y114 PolarHBondContact O-N 3.32Å; Y105-Y114 AromaticContact CD1-CD1 3.63Å; Y105-Y114 HydrophobicContact CD1-CD1 3.63Å; Y105-Y114 AromaticContact CD1-CD2 3.92Å; Y105-Y114 HydrophobicContact CD1-CD2 3.92Å; Y105-Y114 AromaticContact CD1-CE1 3.57Å; Y105-Y114 HydrophobicContact CD1-CE1 3.57Å; Y105-Y114 AromaticContact CD1-CE2 3.88Å; Y105-Y114 HydrophobicContact CD1-CE2 3.88Å; Y105-Y114 AromaticContact CD1-CG 3.82Å; Y105-Y114 HydrophobicContact CD1-CG 3.82Å; Y105-Y114 AromaticContact CD1-CZ 3.72Å; Y105-Y114 AromaticContact CE1-CD1 3.98Å; Y105-Y114 HydrophobicContact CE1-CD1 3.98Å; Y105-Y114 HydrophobicContact CE1-CE1 4.26Å; Y105-Y114 HydrophobicContact CE1-CG 4.26Å; Y105-Y114 HydrophobicContact CG-CE1 4.14Å; Y105-Y114 HydrophobicContact CG-CE2 4.37Å; Y114-T118 HydrophobicContact CD1-CG2 3.5Å; Y114-T118 VanDerWaalsContact CD1-CG2 3.5Å; Y114-T118 HydrophobicContact CE1-CG2 4.15Å; Y114-T118 HydrophobicContact CG-CG2 3.83Å; Y114-C119 PolarHBondContact O-SG 2.88Å; Y114-L122 HydrophobicContact CD2-CD1 3.82Å; Y114-L122 HydrophobicContact CE2-CD1 3.73Å; Y114-L122 HydrophobicContact CG-CD1 4.3Å; Y114-I137 HydrophobicContact CD1-CD1 4.22Å; Y114-I137 HydrophobicContact CE1-CD1 3.8Å; Y114-Q151 PolarHBondContact OH-OE1 2.82Å; Y114-I163 HydrophobicContact CE2-CG2 4.42Å; Y114-I163 WeakPolarHBondContact OH-CG2 3.17Å; Y114-V175 WeakPolarHBondContact O-CG1 3.41Å
115D97.2Very high97.2Very high7 Ų745.8 Ų45.84%0.03722%0.221CC..PPolyproline II helixtrans-66.5162.6168.769.5-80.2000110.7V16 L30 R117 T118 C119 A176V16-D115 HydrophobicContact CG1-CB 3.79Å; L30-D115 HydrophobicContact CD1-CB 4.31Å; L30-D115 VanDerWaalsContact CD1-OD1 3.32Å; L30-D115 WeakPolarHBondContact CD1-OD1 3.45Å; D115-R117 VanDerWaalsContact C-N 3.32Å; D115-R117 PolarHBondContact O-N 3.27Å; D115-R117 WeakPolarHBondContact OD2-CB 3.31Å; D115-R117 PolarHBondContact OD2-N 3.39Å; D115-R117 VanDerWaalsContact OD2-N 3.15Å; D115-T118 PolarHBondContact O-N 2.8Å; D115-T118 VanDerWaalsContact OD1-CB 3.28Å; D115-T118 WeakPolarHBondContact OD1-CB 3.47Å; D115-T118 PolarHBondContact OD1-OG1 2.97Å; D115-T118 PolarHBondContact OD2-N 3.2Å; D115-C119 PolarHBondContact O-N 2.99Å; D115-C119 PolarHBondContact O-SG 3.16Å; D115-A176 HydrophobicContact CB-CB 4Å
116E94.5Very high97.1Very high134 Ų13448 Ų4863%0.62623%0.231SC*.Hα-helixtrans-56.3-43-174.8-175.5-175.1174.100113.2C119 N120E116-C119 WeakPolarHBondContact O-CB 3.33Å; E116-C119 PolarHBondContact O-N 3.33Å; E116-N120 VanDerWaalsContact O-CG 3.27Å; E116-N120 PolarHBondContact O-N 3.05Å; E116-N120 PolarHBondContact O-ND2 3.16Å
117R95.9Very high97.1Very high70 Ų7051.1 Ų51.126%0.26425%0.249SC..Hα-helixtrans-63.3-50.2-178.8-178179.3-61.1152.74.4110.3N14 V16 D115 C119 N120 E121N14-R117 PolarHBondContact O-NH2 3.33Å; V16-R117 HydrophobicContact CG2-CB 4.48Å; D115-R117 VanDerWaalsContact C-N 3.32Å; D115-R117 PolarHBondContact O-N 3.27Å; D115-R117 WeakPolarHBondContact OD2-CB 3.31Å; D115-R117 PolarHBondContact OD2-N 3.39Å; D115-R117 VanDerWaalsContact OD2-N 3.15Å; R117-C119 VanDerWaalsContact C-N 3.3Å; R117-C119 PolarHBondContact O-N 3.06Å; R117-N120 PolarHBondContact O-N 3.21Å; R117-N120 VanDerWaalsContact O-N 3.16Å; R117-E121 WeakPolarHBondContact O-CG 3.11Å; R117-E121 PolarHBondContact O-N 2.77Å
118T97.9Very high97.1Very high6 Ų658.3 Ų58.34%0.03728%0.279CS..Hα-helixtrans-61.3-38.8177-57.80000111.7Y114 D115 N120 E121 L122 L135Y114-T118 HydrophobicContact CD1-CG2 3.5Å; Y114-T118 VanDerWaalsContact CD1-CG2 3.5Å; Y114-T118 HydrophobicContact CE1-CG2 4.15Å; Y114-T118 HydrophobicContact CG-CG2 3.83Å; D115-T118 PolarHBondContact O-N 2.8Å; D115-T118 VanDerWaalsContact OD1-CB 3.28Å; D115-T118 WeakPolarHBondContact OD1-CB 3.47Å; D115-T118 PolarHBondContact OD1-OG1 2.97Å; D115-T118 PolarHBondContact OD2-N 3.2Å; T118-N120 VanDerWaalsContact C-N 3.34Å; T118-N120 PolarHBondContact O-N 3.46Å; T118-E121 PolarHBondContact O-N 3.02Å; T118-L122 HydrophobicContact CG2-CD1 4.15Å; T118-L122 HydrophobicContact CG2-CG 4.41Å; T118-L122 WeakPolarHBondContact O-CB 3.38Å; T118-L122 VanDerWaalsContact O-CG 3.31Å; T118-L122 WeakPolarHBondContact O-CG 3.47Å; T118-L122 PolarHBondContact O-N 3.15Å; T118-L135 HydrophobicContact CG2-CD1 4.27Å; T118-L135 HydrophobicContact CG2-CD2 3.79Å
119C97.6Very high97.2Very high9 Ų963.1 Ų63.16%0.06130%0.303CS..Hα-helixtrans-59.6-44.9175-69.70000111.7S102 Y114 D115 E116 R117 L122 E123S102-C119 PolarHBondContact OG-SG 3.2Å; S102-C119 VanDerWaalsContact OG-SG 3.41Å; Y114-C119 PolarHBondContact O-SG 2.88Å; D115-C119 PolarHBondContact O-N 2.99Å; D115-C119 PolarHBondContact O-SG 3.16Å; E116-C119 WeakPolarHBondContact O-CB 3.33Å; E116-C119 PolarHBondContact O-N 3.33Å; R117-C119 VanDerWaalsContact C-N 3.3Å; R117-C119 PolarHBondContact O-N 3.06Å; C119-L122 PolarHBondContact O-N 3.25Å; C119-E123 WeakPolarHBondContact O-CB 3.46Å; C119-E123 PolarHBondContact O-N 2.94Å
120N96.8Very high97.4Very high88 Ų8859.2 Ų59.247%0.47129%0.287SS..Hα-helixtrans-66.2-39.5179.7-67.7-22.8000111.8E116 R117 T118 N124E116-N120 VanDerWaalsContact O-CG 3.27Å; E116-N120 PolarHBondContact O-N 3.05Å; E116-N120 PolarHBondContact O-ND2 3.16Å; R117-N120 PolarHBondContact O-N 3.21Å; R117-N120 VanDerWaalsContact O-N 3.16Å; T118-N120 VanDerWaalsContact C-N 3.34Å; T118-N120 PolarHBondContact O-N 3.46Å; N120-N124 VanDerWaalsContact O-CB 3.32Å; N120-N124 WeakPolarHBondContact O-CB 3.34Å; N120-N124 PolarHBondContact O-N 3.06Å; N120-N124 PolarHBondContact O-ND2 2.94Å; N120-N124 VanDerWaalsContact O-ND2 3.17Å
121E97.8Very high97.4Very high66 Ų6661.9 Ų61.931%0.30830%0.301SS..Hα-helixtrans-62.3-45.9174.8-70.3-179.6117.600111.8R117 T118 N124 A125 Y133R117-E121 WeakPolarHBondContact O-CG 3.11Å; R117-E121 PolarHBondContact O-N 2.77Å; T118-E121 PolarHBondContact O-N 3.02Å; E121-N124 PolarHBondContact O-N 3.07Å; E121-A125 WeakPolarHBondContact O-CB 3.32Å; E121-A125 PolarHBondContact O-N 3.19Å; E121-Y133 HydrophobicContact CB-CE1 3.97Å
122L98.1Very high97.4Very high0 Ų062.1 Ų62.10%031%0.311CS..Hα-helixtrans-65.7-42.8177.5-71177.8000112.5W103 Y114 T118 C119 N124 A125 F126 L135 I144W103-L122 HydrophobicContact CB-CD1 3.84Å; W103-L122 HydrophobicContact CD2-CB 3.73Å; W103-L122 HydrophobicContact CD2-CD1 4.05Å; W103-L122 HydrophobicContact CE3-CB 4.27Å; W103-L122 HydrophobicContact CE3-CD1 4.09Å; W103-L122 HydrophobicContact CG-CB 3.8Å; W103-L122 HydrophobicContact CG-CD1 3.94Å; W103-L122 HydrophobicContact CZ2-CB 4.48Å; Y114-L122 HydrophobicContact CD2-CD1 3.82Å; Y114-L122 HydrophobicContact CE2-CD1 3.73Å; Y114-L122 HydrophobicContact CG-CD1 4.3Å; T118-L122 HydrophobicContact CG2-CD1 4.15Å; T118-L122 HydrophobicContact CG2-CG 4.41Å; T118-L122 WeakPolarHBondContact O-CB 3.38Å; T118-L122 VanDerWaalsContact O-CG 3.31Å; T118-L122 WeakPolarHBondContact O-CG 3.47Å; T118-L122 PolarHBondContact O-N 3.15Å; C119-L122 PolarHBondContact O-N 3.25Å; L122-N124 VanDerWaalsContact C-N 3.33Å; L122-N124 PolarHBondContact O-N 3.11Å; L122-A125 PolarHBondContact O-N 3.3Å; L122-F126 VanDerWaalsContact O-CB 3.27Å; L122-F126 WeakPolarHBondContact O-CB 3.26Å; L122-F126 PolarHBondContact O-N 3.41Å; L122-L135 HydrophobicContact CD2-CD2 3.69Å; L122-L135 HydrophobicContact CG-CD2 3.98Å; L122-I144 HydrophobicContact CD2-CB 4.24Å; L122-I144 HydrophobicContact CD2-CG1 4.04Å; L122-I144 HydrophobicContact CD2-CG2 3.77Å
123E97.5Very high97.3Very high38 Ų3863.9 Ų63.918%0.17832%0.318CS..Hα-helixtrans-62.4-42.4177.1-169.866.5-171.300110.9W103 C119 F126 N127 R165W103-E123 PolarHBondContact NE1-OE2 3.36Å; C119-E123 WeakPolarHBondContact O-CB 3.46Å; C119-E123 PolarHBondContact O-N 2.94Å; E123-F126 PolarHBondContact O-N 3.27Å; E123-N127 WeakPolarHBondContact O-CB 3.32Å; E123-N127 PolarHBondContact O-N 3.35Å; E123-N127 PolarHBondContact O-ND2 3.02Å; E123-R165 IonicContact OE1-CZ 3.98Å; E123-R165 IonicContact OE1-NE 3.64Å; E123-R165 PolarHBondContact OE1-NE 2.86Å; E123-R165 VanDerWaalsContact OE1-NE 3.12Å; E123-R165 IonicContact OE1-NH2 2.73Å; E123-R165 PolarHBondContact OE1-NH2 3.21Å; E123-R165 IonicContact OE2-CZ 2.77Å; E123-R165 IonicContact OE2-NE 2.96Å; E123-R165 PolarHBondContact OE2-NE 3.02Å; E123-R165 IonicContact OE2-NH2 2.72Å
124N97.3Very high97.3Very high92 Ų9267.4 Ų67.449%0.49233%0.334SS..Hα-helixtrans-62.8-42.9175-76.1-26.8000112.4N120 E121 L122 K128N120-N124 VanDerWaalsContact O-CB 3.32Å; N120-N124 WeakPolarHBondContact O-CB 3.34Å; N120-N124 PolarHBondContact O-N 3.06Å; N120-N124 PolarHBondContact O-ND2 2.94Å; N120-N124 VanDerWaalsContact O-ND2 3.17Å; E121-N124 PolarHBondContact O-N 3.07Å; L122-N124 VanDerWaalsContact C-N 3.33Å; L122-N124 PolarHBondContact O-N 3.11Å; N124-K128 WeakPolarHBondContact O-CB 3.08Å; N124-K128 VanDerWaalsContact O-CG 3.26Å; N124-K128 WeakPolarHBondContact O-CG 3.5Å; N124-K128 PolarHBondContact O-N 3.01Å; N124-K128 VanDerWaalsContact O-N 3.11Å
125A98.1Very high97.2Very high2 Ų267.5 Ų67.52%0.01734%0.335CS..Hα-helixtrans-64.9-40.9176.900000112E121 L122 K128 Q129 L130 Y133 L146E121-A125 WeakPolarHBondContact O-CB 3.32Å; E121-A125 PolarHBondContact O-N 3.19Å; L122-A125 PolarHBondContact O-N 3.3Å; A125-K128 PolarHBondContact O-N 2.83Å; A125-Q129 PolarHBondContact O-N 3.32Å; A125-L130 HydrophobicContact CB-CD1 4.01Å; A125-L130 PolarHBondContact O-N 3.29Å; A125-L130 VanDerWaalsContact O-N 3.07Å; A125-Y133 HydrophobicContact CB-CD2 3.64Å; A125-Y133 HydrophobicContact CB-CE2 4.25Å; A125-Y133 HydrophobicContact CB-CG 3.78Å; A125-L146 HydrophobicContact CB-CD1 3.85Å
126F96.9Very high97.2Very high85 Ų8571.7 Ų71.737%0.37336%0.361SS..Hα-helixtrans-65.7-46.1177.2-179-98.3000112.2W103 L122 E123 K128 Q129W103-F126 HydrophobicContact CH2-CB 3.97Å; W103-F126 AromaticContact CH2-CD2 3.71Å; W103-F126 HydrophobicContact CH2-CD2 3.71Å; W103-F126 HydrophobicContact CH2-CE2 4.44Å; W103-F126 AromaticContact CH2-CG 3.95Å; W103-F126 HydrophobicContact CH2-CG 3.95Å; W103-F126 HydrophobicContact CZ2-CB 3.52Å; W103-F126 HydrophobicContact CZ2-CD1 4.31Å; W103-F126 AromaticContact CZ2-CD2 3.92Å; W103-F126 HydrophobicContact CZ2-CD2 3.92Å; W103-F126 AromaticContact CZ2-CG 3.66Å; W103-F126 HydrophobicContact CZ2-CG 3.66Å; L122-F126 VanDerWaalsContact O-CB 3.27Å; L122-F126 WeakPolarHBondContact O-CB 3.26Å; L122-F126 PolarHBondContact O-N 3.41Å; E123-F126 PolarHBondContact O-N 3.27Å; F126-K128 PolarHBondContact O-N 2.74Å; F126-Q129 WeakPolarHBondContact O-CA 3.31Å; F126-Q129 PolarHBondContact O-N 2.86Å
127N96.5Very high97.3Very high100 Ų10066.5 Ų66.554%0.53534%0.337SS..Hα-helixtrans-64.2-29.9177.3-70.8-20.3000112.3E123 Q129E123-N127 WeakPolarHBondContact O-CB 3.32Å; E123-N127 PolarHBondContact O-N 3.35Å; E123-N127 PolarHBondContact O-ND2 3.02Å; N127-Q129 PolarHBondContact O-N 3.27Å
128K97.5Very high97.2Very high155 Ų15564.1 Ų64.167%0.67433%0.332SS*.THydrogen-bonded Turntrans-80.12.1171.7-70.8174.3-177.9178.50113.8N124 A125 F126 L130N124-K128 WeakPolarHBondContact O-CB 3.08Å; N124-K128 VanDerWaalsContact O-CG 3.26Å; N124-K128 WeakPolarHBondContact O-CG 3.5Å; N124-K128 PolarHBondContact O-N 3.01Å; N124-K128 VanDerWaalsContact O-N 3.11Å; A125-K128 PolarHBondContact O-N 2.83Å; F126-K128 PolarHBondContact O-N 2.74Å; K128-L130 HydrophobicContact CB-CD2 4.44Å; K128-L130 HydrophobicContact CB-CG 4.07Å; K128-L130 PolarHBondContact O-N 2.93Å
129Q96.7Very high97Very high176 Ų17666.7 Ų66.782%0.82236%0.36SS*.THydrogen-bonded Turntrans54.535.4-179.5-57.7176.110.400113.2A125 F126 N127A125-Q129 PolarHBondContact O-N 3.32Å; F126-Q129 WeakPolarHBondContact O-CA 3.31Å; F126-Q129 PolarHBondContact O-N 2.86Å; N127-Q129 PolarHBondContact O-N 3.27Å
130L97.9Very high96.9Very high74 Ų7468.1 Ų68.139%0.38736%0.364SS..  trans-68140.8173.7-59.2-176.8000109.7A125 K128 S132 Y133 L146A125-L130 HydrophobicContact CB-CD1 4.01Å; A125-L130 PolarHBondContact O-N 3.29Å; A125-L130 VanDerWaalsContact O-N 3.07Å; K128-L130 HydrophobicContact CB-CD2 4.44Å; K128-L130 HydrophobicContact CB-CG 4.07Å; K128-L130 PolarHBondContact O-N 2.93Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-Y133 HydrophobicContact CD1-CD2 4.04Å; L130-L146 HydrophobicContact CB-CD1 4.35Å; L130-L146 WeakPolarHBondContact O-CB 3.17Å; L130-L146 WeakPolarHBondContact O-CD1 3.29Å
131S97.4Very high96.8Very high83 Ų8366.7 Ų66.758%0.5836%0.359SS*.SBendtrans-74.4-28.1175.657.90000112.5L146 K147S131-L146 PolarHBondContact O-N 3.5Å; S131-K147 PolarHBondContact O-N 2.85Å
132S97.7Very high96.9Very high58 Ų5865.4 Ų65.441%0.40635%0.352SS..EExtended strand (participates in β ladder)trans-152.6161.4178.360.50000111.5L130 I144L130-S132 VanDerWaalsContact C-N 3.33Å; S132-I144 CarbonylContact C-O 3.44Å; S132-I144 WeakPolarHBondContact CA-O 3.46Å; S132-I144 WeakPolarHBondContact CB-O 3.5Å
133Y98Very high96.8Very high71 Ų7167.2 Ų67.228%0.27836%0.364SS..EExtended strand (participates in β ladder)trans-144.7143.7178-166.1-104.2000110.3E121 A125 L130 L135 I144E121-Y133 HydrophobicContact CB-CE1 3.97Å; A125-Y133 HydrophobicContact CB-CD2 3.64Å; A125-Y133 HydrophobicContact CB-CE2 4.25Å; A125-Y133 HydrophobicContact CB-CG 3.78Å; L130-Y133 HydrophobicContact CD1-CD2 4.04Å; Y133-L135 HydrophobicContact CD1-CB 4.23Å; Y133-L135 HydrophobicContact CD1-CD2 4.1Å; Y133-L135 HydrophobicContact CD1-CG 4.47Å; Y133-L135 HydrophobicContact CE1-CB 4.13Å; Y133-L135 HydrophobicContact CE1-CD2 4.44Å; Y133-I144 PolarHBondContact N-O 3.41Å; Y133-I144 WeakPolarHBondContact O-CB 3.34Å; Y133-I144 WeakPolarHBondContact O-CG1 3.43Å; Y133-I144 PolarHBondContact O-N 3.3Å
134E97.9Very high96.9Very high97 Ų9765.4 Ų65.445%0.45336%0.355SS..EExtended strand (participates in β ladder)trans-108131.6175.2-64.3-165.8166.200110.1V141 Y142 K154E134-V141 HydrophobicContact CB-CG1 4.45Å; E134-Y142 VanDerWaalsContact CA-O 3.31Å; E134-Y142 WeakPolarHBondContact CA-O 3.31Å; E134-K154 VanDerWaalsContact OE1-CE 3.32Å; E134-K154 WeakPolarHBondContact OE1-CE 3.48Å; E134-K154 IonicContact OE1-NZ 2.63Å; E134-K154 PolarHBondContact OE1-NZ 2.86Å; E134-K154 IonicContact OE2-NZ 3Å; E134-K154 PolarHBondContact OE2-NZ 3.26Å
135L96.3Very high96.9Very high6 Ų663 Ų633%0.03134%0.343CS..EExtended strand (participates in β ladder)trans-143.7158.8179.455.779000111.5T118 L122 Y133 I137 Y142 I144T118-L135 HydrophobicContact CG2-CD1 4.27Å; T118-L135 HydrophobicContact CG2-CD2 3.79Å; L122-L135 HydrophobicContact CD2-CD2 3.69Å; L122-L135 HydrophobicContact CG-CD2 3.98Å; Y133-L135 HydrophobicContact CD1-CB 4.23Å; Y133-L135 HydrophobicContact CD1-CD2 4.1Å; Y133-L135 HydrophobicContact CD1-CG 4.47Å; Y133-L135 HydrophobicContact CE1-CB 4.13Å; Y133-L135 HydrophobicContact CE1-CD2 4.44Å; L135-I137 HydrophobicContact CD1-CD1 3.3Å; L135-I137 HydrophobicContact CD1-CG1 3.37Å; L135-Y142 PolarHBondContact N-O 3.48Å; L135-Y142 VanDerWaalsContact N-O 3.1Å; L135-Y142 PolarHBondContact O-N 3.12Å; L135-I144 HydrophobicContact CD1-CD1 4.28Å; L135-I144 HydrophobicContact CD1-CG1 4.44Å; L135-I144 HydrophobicContact CD2-CD1 4.3Å; L135-I144 HydrophobicContact CD2-CG1 3.8Å; L135-I144 HydrophobicContact CG-CD1 4.24Å; L135-I144 HydrophobicContact CG-CG1 3.86Å
136T96.3Very high96.9Very high96 Ų9663.7 Ų63.759%0.58935%0.346SS*.EExtended strand (participates in β ladder)trans-103.5117.8-178.9-61.10000110.9Y140T136-Y140 CarbonylContact C-O 3.54Å; T136-Y140 WeakPolarHBondContact CA-O 3.42Å
137I96.5Very high96.9Very high25 Ų2567.8 Ų67.813%0.12836%0.364CS..EExtended strand (participates in β ladder)trans-117.9121.7176-63165.4000109L30 Y114 L135 G139 Y140 Y142L30-I137 HydrophobicContact CD1-CG2 4.44Å; Y114-I137 HydrophobicContact CD1-CD1 4.22Å; Y114-I137 HydrophobicContact CE1-CD1 3.8Å; L135-I137 HydrophobicContact CD1-CD1 3.3Å; L135-I137 HydrophobicContact CD1-CG1 3.37Å; I137-G139 PolarHBondContact O-N 2.78Å; I137-Y140 PolarHBondContact N-O 2.72Å; I137-Y140 PolarHBondContact O-N 3.32Å; I137-Y142 HydrophobicContact CB-CD2 3.9Å; I137-Y142 HydrophobicContact CB-CE2 3.89Å; I137-Y142 HydrophobicContact CD1-CD2 4.15Å; I137-Y142 HydrophobicContact CD1-CG 4.42Å; I137-Y142 HydrophobicContact CG1-CD2 4.31Å
138A94.7Very high96.9Very high19 Ų1968.1 Ų68.116%0.15737%0.366CS..THydrogen-bonded Turntrans47.844.3177.500000113.2L30 K33 G34L30-A138 HydrophobicContact CD2-CB 4.41Å; L30-A138 WeakPolarHBondContact O-CA 3.37Å; K33-A138 HydrophobicContact CB-CB 4.47Å; K33-A138 HydrophobicContact CG-CB 4.44Å; G34-A138 WeakPolarHBondContact CA-O 3.33Å
139G93.3Very high97Very high60 Ų6063.3 Ų63.362%0.61935%0.346SS*.THydrogen-bonded Turntrans85.5-0.2177.400000115.9I137I137-G139 PolarHBondContact O-N 2.78Å
140Y94.8Very high97Very high39 Ų3956.2 Ų56.215%0.15332%0.315CS..EExtended strand (participates in β ladder)trans-117.6142.9178.2-56.7-59.7000112.6F37 T136 I137 Y142 R153F37-Y140 WeakPolarHBondContact CD1-OH 3.21Å; F37-Y140 VanDerWaalsContact CD2-OH 3.31Å; F37-Y140 WeakPolarHBondContact CD2-OH 3.19Å; F37-Y140 WeakPolarHBondContact CE1-OH 3.45Å; F37-Y140 WeakPolarHBondContact CE2-OH 3.37Å; F37-Y140 WeakPolarHBondContact CG-OH 3.31Å; F37-Y140 VanDerWaalsContact CZ-OH 3.22Å; F37-Y140 WeakPolarHBondContact CZ-OH 3.49Å; T136-Y140 CarbonylContact C-O 3.54Å; T136-Y140 WeakPolarHBondContact CA-O 3.42Å; I137-Y140 PolarHBondContact N-O 2.72Å; I137-Y140 PolarHBondContact O-N 3.32Å; Y140-Y142 WeakPolarHBondContact O-CD2 3.32Å; Y140-R153 VanDerWaalsContact CD1-NE 3.34Å; Y140-R153 VanDerWaalsContact CE1-NH1 3.31Å
141V96.6Very high97Very high59 Ų5953 Ų5336%0.35830%0.298SS..EExtended strand (participates in β ladder)trans-81.7124.8174.5-175.10000109.6E134 K154E134-V141 HydrophobicContact CB-CG1 4.45Å; V141-K154 HydrophobicContact CB-CB 4.31Å; V141-K154 HydrophobicContact CG1-CB 4.26Å; V141-K154 HydrophobicContact CG1-CD 3.93Å; V141-K154 WeakPolarHBondContact O-CB 3.31Å; V141-K154 PolarHBondContact O-N 2.89Å
142Y98Very high97Very high39 Ų3950.7 Ų50.715%0.15328%0.278CS..EExtended strand (participates in β ladder)trans-107.9140.1173.1-75.4-99000110E134 L135 I137 Y140 I152 R153E134-Y142 VanDerWaalsContact CA-O 3.31Å; E134-Y142 WeakPolarHBondContact CA-O 3.31Å; L135-Y142 PolarHBondContact N-O 3.48Å; L135-Y142 VanDerWaalsContact N-O 3.1Å; L135-Y142 PolarHBondContact O-N 3.12Å; I137-Y142 HydrophobicContact CB-CD2 3.9Å; I137-Y142 HydrophobicContact CB-CE2 3.89Å; I137-Y142 HydrophobicContact CD1-CD2 4.15Å; I137-Y142 HydrophobicContact CD1-CG 4.42Å; I137-Y142 HydrophobicContact CG1-CD2 4.31Å; Y140-Y142 WeakPolarHBondContact O-CD2 3.32Å; Y142-I152 WeakPolarHBondContact CA-O 3.42Å; Y142-R153 HydrophobicContact CD1-CB 4.31Å; Y142-R153 HydrophobicContact CE1-CB 3.98Å
143S97.5Very high97Very high37 Ų3749.9 Ų49.926%0.25927%0.267SS..EExtended strand (participates in β ladder)trans-95.5121.6164.1-178.70000107.9Q151 I152S143-Q151 WeakPolarHBondContact O-CA 3.33Å; S143-I152 PolarHBondContact N-O 2.87Å; S143-I152 PolarHBondContact O-N 2.9Å
144I98.3Very high96.9Very high0 Ų051.9 Ų51.90%028%0.277CS..EExtended strand (participates in β ladder)trans-101.4117.5178.1-48.7-59.2000107.3L122 S132 Y133 L135 L146 Q151 I163L122-I144 HydrophobicContact CD2-CB 4.24Å; L122-I144 HydrophobicContact CD2-CG1 4.04Å; L122-I144 HydrophobicContact CD2-CG2 3.77Å; S132-I144 CarbonylContact C-O 3.44Å; S132-I144 WeakPolarHBondContact CA-O 3.46Å; S132-I144 WeakPolarHBondContact CB-O 3.5Å; Y133-I144 PolarHBondContact N-O 3.41Å; Y133-I144 WeakPolarHBondContact O-CB 3.34Å; Y133-I144 WeakPolarHBondContact O-CG1 3.43Å; Y133-I144 PolarHBondContact O-N 3.3Å; L135-I144 HydrophobicContact CD1-CD1 4.28Å; L135-I144 HydrophobicContact CD1-CG1 4.44Å; L135-I144 HydrophobicContact CD2-CD1 4.3Å; L135-I144 HydrophobicContact CD2-CG1 3.8Å; L135-I144 HydrophobicContact CG-CD1 4.24Å; L135-I144 HydrophobicContact CG-CG1 3.86Å; I144-L146 HydrophobicContact CG2-CD2 4.09Å; I144-L146 HydrophobicContact CG2-CG 4.42Å; I144-Q151 HydrophobicContact CD1-CB 3.44Å; I144-Q151 VanDerWaalsContact CD1-CB 3.44Å; I144-I163 HydrophobicContact CG2-CD1 3.36Å
145D97.9Very high96.7Very high43 Ų4351.7 Ų51.723%0.2328%0.279CS..EExtended strand (participates in β ladder)trans-95104.7174.1-174.3-25.6000108.4K147 N148 M149 T150D145-K147 VanDerWaalsContact C-N 3.3Å; D145-K147 WeakPolarHBondContact OD1-CA 3.33Å; D145-K147 WeakPolarHBondContact OD1-CB 3.28Å; D145-K147 PolarHBondContact OD1-N 3.15Å; D145-N148 HydrophobicContact CB-CB 4.5Å; D145-N148 PolarHBondContact OD1-N 2.74Å; D145-N148 PolarHBondContact OD2-ND2 3.2Å; D145-M149 VanDerWaalsContact O-CA 3.24Å; D145-M149 WeakPolarHBondContact O-CA 3.44Å; D145-M149 PolarHBondContact O-N 3.42Å; D145-T150 PolarHBondContact N-O 3.33Å; D145-T150 PolarHBondContact O-N 3.1Å
146L98Very high96.3Very high15 Ų1560 Ų608%0.07931%0.31CS..THydrogen-bonded Turntrans-79.7-15.6-178-67.3171.3000112.1W103 A125 L130 S131 I144 I163W103-L146 HydrophobicContact CH2-CD2 3.81Å; W103-L146 HydrophobicContact CZ3-CD2 3.96Å; A125-L146 HydrophobicContact CB-CD1 3.85Å; L130-L146 HydrophobicContact CB-CD1 4.35Å; L130-L146 WeakPolarHBondContact O-CB 3.17Å; L130-L146 WeakPolarHBondContact O-CD1 3.29Å; S131-L146 PolarHBondContact O-N 3.5Å; I144-L146 HydrophobicContact CG2-CD2 4.09Å; I144-L146 HydrophobicContact CG2-CG 4.42Å; L146-I163 HydrophobicContact CD2-CD1 4.4Å
147K96.9Very high95.9Very high172 Ų17259.2 Ų59.275%0.74831%0.308SS*.THydrogen-bonded Turntrans-80.3-48.1175-176.4-179.1178.7-178.70110.9S131 D145S131-K147 PolarHBondContact O-N 2.85Å; D145-K147 VanDerWaalsContact C-N 3.3Å; D145-K147 WeakPolarHBondContact OD1-CA 3.33Å; D145-K147 WeakPolarHBondContact OD1-CB 3.28Å; D145-K147 PolarHBondContact OD1-N 3.15Å
148N97.6Very high95.4Very high107 Ų10759.4 Ų59.457%0.57232%0.316SS*.THydrogen-bonded Turntrans-90-4-179.5-63.7-51.7000112.9D145D145-N148 HydrophobicContact CB-CB 4.5Å; D145-N148 PolarHBondContact OD1-N 2.74Å; D145-N148 PolarHBondContact OD2-ND2 3.2Å
149M98.1Very high95.3Very high54 Ų5463.3 Ų63.327%0.26633%0.327SS..THydrogen-bonded Turntrans55.153.8-179.7-60.4-62-72.400112W103 D145 R162 I163W103-M149 HydrophobicContact CH2-CE 4.29Å; W103-M149 HydrophobicContact CZ3-CE 3.79Å; D145-M149 VanDerWaalsContact O-CA 3.24Å; D145-M149 WeakPolarHBondContact O-CA 3.44Å; D145-M149 PolarHBondContact O-N 3.42Å; M149-R162 WeakPolarHBondContact O-CA 3.45Å; M149-I163 HydrophobicContact CB-CG1 4.23Å; M149-I163 HydrophobicContact CE-CG1 4.06Å; M149-I163 PolarHBondContact O-N 3.34Å; M149-I163 HydrophobicContact SD-CG1 4.47Å
150T98.2Very high95.4Very high26 Ų2664.8 Ų64.816%0.1632%0.32CS..EExtended strand (participates in β ladder)trans-137.4161.6177.762.10000112.1D145 L160 R161D145-T150 PolarHBondContact N-O 3.33Å; D145-T150 PolarHBondContact O-N 3.1Å; T150-L160 HydrophobicContact CG2-CD2 3.94Å; T150-L160 HydrophobicContact CG2-CG 4.46Å; T150-R161 CarbonylContact C-O 3.49Å; T150-R161 VanDerWaalsContact CA-O 3.27Å; T150-R161 WeakPolarHBondContact CA-O 3.46Å
151Q98Very high95.6Very high7 Ų766 Ų663%0.03332%0.324CS..EExtended strand (participates in β ladder)trans-128.1148.6168.862.5153.158.900110.8Y114 S143 I144 L160 R161 I163Y114-Q151 PolarHBondContact OH-OE1 2.82Å; S143-Q151 WeakPolarHBondContact O-CA 3.33Å; I144-Q151 HydrophobicContact CD1-CB 3.44Å; I144-Q151 VanDerWaalsContact CD1-CB 3.44Å; Q151-L160 WeakPolarHBondContact O-CA 3.42Å; Q151-R161 HydrophobicContact CG-CB 3.83Å; Q151-R161 PolarHBondContact N-O 2.82Å; Q151-R161 PolarHBondContact O-N 3.46Å; Q151-I163 HydrophobicContact CB-CG2 3.97Å; Q151-I163 HydrophobicContact CG-CG2 3.79Å
152I97.4Very high95.7Very high34 Ų3468.9 Ų68.917%0.17433%0.329CS..EExtended strand (participates in β ladder)trans-146.5146.7172.1-168.4166.2000110.2Y142 S143 L160Y142-I152 WeakPolarHBondContact CA-O 3.42Å; S143-I152 PolarHBondContact N-O 2.87Å; S143-I152 PolarHBondContact O-N 2.9Å; I152-L160 HydrophobicContact CD1-CB 4.47Å
153R96.7Very high95.7Very high42 Ų4267.3 Ų67.316%0.15832%0.323CS..EExtended strand (participates in β ladder)trans-66.8136.2172.6-168.1174.8157.4-176.8-9.6109.3Y140 Y142 D155 R156 S157Y140-R153 VanDerWaalsContact CD1-NE 3.34Å; Y140-R153 VanDerWaalsContact CE1-NH1 3.31Å; Y142-R153 HydrophobicContact CD1-CB 4.31Å; Y142-R153 HydrophobicContact CE1-CB 3.98Å; R153-D155 VanDerWaalsContact C-N 3.28Å; R153-D155 WeakPolarHBondContact CD-OD1 3.31Å; R153-D155 WeakPolarHBondContact CG-OD1 3.46Å; R153-D155 IonicContact CZ-OD1 2.73Å; R153-D155 IonicContact CZ-OD2 2.88Å; R153-D155 IonicContact NE-OD1 3.79Å; R153-D155 PolarHBondContact NE-OD1 2.99Å; R153-D155 IonicContact NE-OD2 3.35Å; R153-D155 PolarHBondContact NE-OD2 3.36Å; R153-D155 IonicContact NH2-OD1 3.83Å; R153-D155 IonicContact NH2-OD2 3.12Å; R153-D155 PolarHBondContact NH2-OD2 3.48Å; R153-D155 PolarHBondContact O-N 3.24Å; R153-R156 WeakPolarHBondContact O-CA 3.46Å; R153-R156 PolarHBondContact O-N 3.37Å; R153-S157 VanDerWaalsContact CD-OG 3.31Å; R153-S157 WeakPolarHBondContact CD-OG 3.31Å; R153-S157 PolarHBondContact NE-OG 2.83Å; R153-S157 PolarHBondContact NH1-OG 3.28Å; R153-S157 VanDerWaalsContact NH1-OG 3.12Å
154K95.4Very high95.7Very high113 Ų11367.6 Ų67.649%0.49132%0.319SS..THydrogen-bonded Turntrans-62.9-32.6-172.3-169.5168.8179166.80113.3E134 V141 R156E134-K154 VanDerWaalsContact OE1-CE 3.32Å; E134-K154 WeakPolarHBondContact OE1-CE 3.48Å; E134-K154 IonicContact OE1-NZ 2.63Å; E134-K154 PolarHBondContact OE1-NZ 2.86Å; E134-K154 IonicContact OE2-NZ 3Å; E134-K154 PolarHBondContact OE2-NZ 3.26Å; V141-K154 HydrophobicContact CB-CB 4.31Å; V141-K154 HydrophobicContact CG1-CB 4.26Å; V141-K154 HydrophobicContact CG1-CD 3.93Å; V141-K154 WeakPolarHBondContact O-CB 3.31Å; V141-K154 PolarHBondContact O-N 2.89Å; K154-R156 PolarHBondContact O-N 2.84Å
155D93.6Very high95.7Very high92 Ų9271.3 Ų71.349%0.49233%0.333SS..THydrogen-bonded Turntrans-80.33.3173.864.918.4000114.5R153 S157R153-D155 VanDerWaalsContact C-N 3.28Å; R153-D155 WeakPolarHBondContact CD-OD1 3.31Å; R153-D155 WeakPolarHBondContact CG-OD1 3.46Å; R153-D155 IonicContact CZ-OD1 2.73Å; R153-D155 IonicContact CZ-OD2 2.88Å; R153-D155 IonicContact NE-OD1 3.79Å; R153-D155 PolarHBondContact NE-OD1 2.99Å; R153-D155 IonicContact NE-OD2 3.35Å; R153-D155 PolarHBondContact NE-OD2 3.36Å; R153-D155 IonicContact NH2-OD1 3.83Å; R153-D155 IonicContact NH2-OD2 3.12Å; R153-D155 PolarHBondContact NH2-OD2 3.48Å; R153-D155 PolarHBondContact O-N 3.24Å; D155-S157 PolarHBondContact O-N 2.83Å; D155-S157 WeakPolarHBondContact OD1-CB 3.13Å; D155-S157 PolarHBondContact OD1-N 3.4Å; D155-S157 PolarHBondContact OD1-OG 3.33Å
156R88Confident95.7Very high182 Ų18271.6 Ų71.669%0.68734%0.335SS*.SBendtrans55.917.8179.2-50.9-153.3-173.6-80.32.6115.7R153 K154 G158R153-R156 WeakPolarHBondContact O-CA 3.46Å; R153-R156 PolarHBondContact O-N 3.37Å; K154-R156 PolarHBondContact O-N 2.84Å; R156-G158 PolarHBondContact O-N 3.47Å
157S88.9Confident95.6Very high79 Ų7973.8 Ų73.855%0.55235%0.347SS*.  trans-77-10.6172.764.60000113.4R153 D155R153-S157 VanDerWaalsContact CD-OG 3.31Å; R153-S157 WeakPolarHBondContact CD-OG 3.31Å; R153-S157 PolarHBondContact NE-OG 2.83Å; R153-S157 PolarHBondContact NH1-OG 3.28Å; R153-S157 VanDerWaalsContact NH1-OG 3.12Å; D155-S157 PolarHBondContact O-N 2.83Å; D155-S157 WeakPolarHBondContact OD1-CB 3.13Å; D155-S157 PolarHBondContact OD1-N 3.4Å; D155-S157 PolarHBondContact OD1-OG 3.33Å
158G84.8Confident95.5Very high29 Ų2968.8 Ų68.830%0.29933%0.328SS..SBendtrans-109.5162.1-175.200000114R156R156-G158 PolarHBondContact O-N 3.47Å
159R92.7Very high95.2Very high100 Ų10069.8 Ų69.838%0.37734%0.338SS..  trans-66.2140.7172.8169.7170.2176.3-179.42.3111.6R161R159-R161 HydrophobicContact CG-CG 4.29Å
160L96.5Very high95Very high91 Ų9168.2 Ų68.248%0.47633%0.332SS..  trans-69.9127.9162.9-178.3145.1000109.7T150 Q151 I152T150-L160 HydrophobicContact CG2-CD2 3.94Å; T150-L160 HydrophobicContact CG2-CG 4.46Å; Q151-L160 WeakPolarHBondContact O-CA 3.42Å; I152-L160 HydrophobicContact CD1-CB 4.47Å
161R98Very high94.9Very high66 Ų6675.7 Ų75.725%0.24937%0.365CS..EExtended strand (participates in β ladder)trans-122.4140.3178.7-59.6177.4177.4-81.3-4.1109.6E106 T150 Q151 R159E106-R161 WeakPolarHBondContact O-CD 3.27Å; E106-R161 PolarHBondContact O-NH1 3.05Å; T150-R161 CarbonylContact C-O 3.49Å; T150-R161 VanDerWaalsContact CA-O 3.27Å; T150-R161 WeakPolarHBondContact CA-O 3.46Å; Q151-R161 HydrophobicContact CG-CB 3.83Å; Q151-R161 PolarHBondContact N-O 2.82Å; Q151-R161 PolarHBondContact O-N 3.46Å; R159-R161 HydrophobicContact CG-CG 4.29Å
162R98.5Very high94.9Very high119 Ų11977.9 Ų77.945%0.44937%0.374SS..EExtended strand (participates in β ladder)trans-69.1150.1168.4-61.9-177.5-64.6159.3-0.5110Y105 E106 W111 M149Y105-R162 WeakPolarHBondContact CA-O 3.36Å; E106-R162 HydrophobicContact CB-CB 4.15Å; E106-R162 WeakPolarHBondContact CB-O 3.45Å; E106-R162 VanDerWaalsContact CD-NE 3.31Å; E106-R162 PolarHBondContact N-O 3.39Å; E106-R162 IonicContact OE1-CZ 3.37Å; E106-R162 IonicContact OE1-NE 3.25Å; E106-R162 PolarHBondContact OE1-NE 3.46Å; E106-R162 IonicContact OE1-NH2 2.68Å; E106-R162 PolarHBondContact OE1-NH2 2.98Å; E106-R162 WeakPolarHBondContact OE2-CB 3.31Å; E106-R162 WeakPolarHBondContact OE2-CG 3.47Å; E106-R162 IonicContact OE2-CZ 3.79Å; E106-R162 PolarHBondContact OE2-N 3.48Å; E106-R162 IonicContact OE2-NE 2.89Å; E106-R162 PolarHBondContact OE2-NE 2.83Å; E106-R162 IonicContact OE2-NH2 3.84Å; W111-R162 HydrophobicContact CH2-CB 3.91Å; W111-R162 HydrophobicContact CZ3-CB 4.37Å; M149-R162 WeakPolarHBondContact O-CA 3.45Å
163I98.6Very high94.9Very high6 Ų679.7 Ų79.73%0.03138%0.381CS..EExtended strand (participates in β ladder)trans-123.9159.8171.877.1-171.9000109W103 F104 Y114 I144 L146 M149 Q151W103-I163 HydrophobicContact CZ3-CD1 4.16Å; W103-I163 HydrophobicContact CZ3-CG1 4.41Å; F104-I163 CarbonylContact O-C 3.47Å; F104-I163 WeakPolarHBondContact O-CA 3.39Å; F104-I163 WeakPolarHBondContact O-CB 3.33Å; Y114-I163 HydrophobicContact CE2-CG2 4.42Å; Y114-I163 WeakPolarHBondContact OH-CG2 3.17Å; I144-I163 HydrophobicContact CG2-CD1 3.36Å; L146-I163 HydrophobicContact CD2-CD1 4.4Å; M149-I163 HydrophobicContact CB-CG1 4.23Å; M149-I163 HydrophobicContact CE-CG1 4.06Å; M149-I163 PolarHBondContact O-N 3.34Å; M149-I163 HydrophobicContact SD-CG1 4.47Å; Q151-I163 HydrophobicContact CB-CG2 3.97Å; Q151-I163 HydrophobicContact CG-CG2 3.79Å
164K98.4Very high94.9Very high42 Ų4277.7 Ų77.718%0.18337%0.374CS..EExtended strand (participates in β ladder)trans-149.5152.7172.764.8174.5-1731630111.3W103 F104 W111 D166W103-K164 WeakPolarHBondContact CA-O 3.27Å; F104-K164 HydrophobicContact CB-CG 3.84Å; F104-K164 HydrophobicContact CD2-CG 4.29Å; F104-K164 HydrophobicContact CG-CG 4.43Å; F104-K164 PolarHBondContact N-O 3.46Å; F104-K164 PolarHBondContact O-N 3.41Å; W111-K164 HydrophobicContact CD2-CD 3.9Å; W111-K164 VanDerWaalsContact CD2-CE 3.47Å; W111-K164 HydrophobicContact CD2-CG 4.26Å; W111-K164 HydrophobicContact CE3-CD 4.01Å; W111-K164 HydrophobicContact CE3-CG 3.85Å; W111-K164 HydrophobicContact CH2-CB 4.37Å; W111-K164 HydrophobicContact CH2-CD 4.08Å; W111-K164 HydrophobicContact CH2-CG 4.09Å; W111-K164 HydrophobicContact CZ2-CD 3.97Å; W111-K164 HydrophobicContact CZ2-CG 4.48Å; W111-K164 HydrophobicContact CZ3-CB 4.29Å; W111-K164 HydrophobicContact CZ3-CD 4.1Å; W111-K164 HydrophobicContact CZ3-CG 3.76Å; K164-D166 HydrophobicContact CD-CB 4.17Å; K164-D166 WeakPolarHBondContact CE-OD2 3.19Å; K164-D166 HydrophobicContact CG-CB 4.41Å; K164-D166 IonicContact NZ-OD2 2.73Å; K164-D166 PolarHBondContact NZ-OD2 3.43Å
165R98Very high95Very high78 Ų7873 Ų7329%0.29436%0.355SS..EExtended strand (participates in β ladder)trans-100.3121.3163.7-174-179.5-177.5-82.33.2107.6Y101 S102 W103 E123Y101-R165 VanDerWaalsContact CB-CZ 3.49Å; Y101-R165 HydrophobicContact CD1-CG 4.32Å; Y101-R165 VanDerWaalsContact CG-CZ 3.48Å; S102-R165 WeakPolarHBondContact O-CA 3.38Å; W103-R165 HydrophobicContact CD2-CB 4.23Å; W103-R165 HydrophobicContact CE3-CB 4.29Å; W103-R165 HydrophobicContact CH2-CB 4.03Å; W103-R165 HydrophobicContact CZ2-CB 3.93Å; W103-R165 HydrophobicContact CZ2-CG 4.11Å; W103-R165 HydrophobicContact CZ3-CB 4.21Å; E123-R165 IonicContact OE1-CZ 3.98Å; E123-R165 IonicContact OE1-NE 3.64Å; E123-R165 PolarHBondContact OE1-NE 2.86Å; E123-R165 VanDerWaalsContact OE1-NE 3.12Å; E123-R165 IonicContact OE1-NH2 2.73Å; E123-R165 PolarHBondContact OE1-NH2 3.21Å; E123-R165 IonicContact OE2-CZ 2.77Å; E123-R165 IonicContact OE2-NE 2.96Å; E123-R165 PolarHBondContact OE2-NE 3.02Å; E123-R165 IonicContact OE2-NH2 2.72Å
166D97.6Very high95.1Very high49 Ų4968.8 Ų68.826%0.26233%0.332SS..EExtended strand (participates in β ladder)trans-147172.6-173.2-152.6-20.9000110.2Y101 S102 F104 K164Y101-D166 CarbonylContact C-O 3.57Å; Y101-D166 WeakPolarHBondContact CA-O 3.38Å; Y101-D166 WeakPolarHBondContact CD1-O 3.14Å; S102-D166 PolarHBondContact N-O 3.39Å; S102-D166 PolarHBondContact O-N 3.1Å; F104-D166 HydrophobicContact CD2-CB 3.93Å; F104-D166 HydrophobicContact CE2-CB 3.78Å; K164-D166 HydrophobicContact CD-CB 4.17Å; K164-D166 WeakPolarHBondContact CE-OD2 3.19Å; K164-D166 HydrophobicContact CG-CB 4.41Å; K164-D166 IonicContact NZ-OD2 2.73Å; K164-D166 PolarHBondContact NZ-OD2 3.43Å
167L96.1Very high95.5Very high62 Ų6261.1 Ų61.133%0.32531%0.31SS..EExtended strand (participates in β ladder)trans-59.3139175.9-64.3177000110.4P99 Y101 T169 C170P99-L167 HydrophobicContact CB-CD2 3.47Å; P99-L167 VanDerWaalsContact CB-CD2 3.47Å; Y101-L167 HydrophobicContact CD1-CD2 4.4Å; Y101-L167 HydrophobicContact CE1-CD2 3.99Å; Y101-L167 HydrophobicContact CE2-CD2 4.44Å; L167-T169 PolarHBondContact O-N 3.32Å; L167-T169 VanDerWaalsContact O-N 3.11Å; L167-C170 WeakPolarHBondContact O-CB 3.36Å; L167-C170 PolarHBondContact O-N 3.23Å; L167-C170 PolarHBondContact O-SG 3.08Å
168L93.5Very high95.9Very high67 Ų6757.4 Ų57.435%0.35128%0.284SS..THydrogen-bonded Turntrans-55.8-30.5176-179.264.5000111.7S100 C170 K172S100-L168 VanDerWaalsContact O-CB 3.32Å; S100-L168 WeakPolarHBondContact O-CB 3.33Å; S100-L168 PolarHBondContact O-N 3.43Å; L168-C170 VanDerWaalsContact C-N 3.31Å; L168-C170 PolarHBondContact O-N 3.48Å; L168-K172 PolarHBondContact O-NZ 2.88Å
169T92.8Very high96.4Very high127 Ų12761.1 Ų61.178%0.77929%0.292SS*.THydrogen-bonded Turntrans-78.9-3.817954.60000114.5L167L167-T169 PolarHBondContact O-N 3.32Å; L167-T169 VanDerWaalsContact O-N 3.11Å
170C94.1Very high96.5Very high22 Ų2258.5 Ų58.515%0.14928%0.284CS..SBendtrans-64.8155.9-178.778.10000112.6F104 L167 L168 K172F104-C170 WeakPolarHBondContact CE1-SG 3.46Å; F104-C170 WeakPolarHBondContact CZ-SG 3.28Å; L167-C170 WeakPolarHBondContact O-CB 3.36Å; L167-C170 PolarHBondContact O-N 3.23Å; L167-C170 PolarHBondContact O-SG 3.08Å; L168-C170 VanDerWaalsContact C-N 3.31Å; L168-C170 PolarHBondContact O-N 3.48Å; C170-K172 PolarHBondContact O-N 3.27Å
171E95.9Very high96.4Very high183 Ų18357.4 Ų57.486%0.85528%0.284SS*.  trans-59.2129.3178.1-171-170.8165.300111.1
172K97Very high96Very high52 Ų5254.6 Ų54.623%0.22627%0.274CS..  trans-148.6148.9-177.260.3-174146.7-160.10111.4F104 W111 Q113 L168 C170 G174 M180F104-K172 HydrophobicContact CE1-CB 4.29Å; F104-K172 HydrophobicContact CE1-CD 4.13Å; W111-K172 WeakPolarHBondContact O-CA 3.31Å; Q113-K172 HydrophobicContact CB-CD 4.24Å; L168-K172 PolarHBondContact O-NZ 2.88Å; C170-K172 PolarHBondContact O-N 3.27Å; K172-G174 VanDerWaalsContact C-N 3.32Å; K172-M180 HydrophobicContact CG-SD 4.42Å
173K97.2Very high95.5Very high73 Ų7351 Ų5132%0.31726%0.264SS..SBendtrans-74.4-26.8176.8-60.1177.562.4170.80112.4F108 W111 W112 M180F108-K173 PolarHBondContact O-NZ 2.97Å; W111-K173 PolarHBondContact O-N 3.2Å; W112-K173 HydrophobicContact CD2-CB 3.98Å; W112-K173 HydrophobicContact CE3-CB 4.14Å; W112-K173 HydrophobicContact CH2-CB 4.07Å; W112-K173 HydrophobicContact CZ2-CB 3.91Å; W112-K173 HydrophobicContact CZ2-CD 4.28Å; W112-K173 HydrophobicContact CZ3-CB 4.19Å; K173-M180 PolarHBondContact O-N 2.95Å; K173-M180 VanDerWaalsContact O-N 3.11Å
174G97.3Very high94.9Very high0 Ų056.4 Ų56.40%029%0.289CS..EExtended strand (participates in β ladder)trans164-171.3-168.600000113.5Q113 K172 I178 M180Q113-G174 PolarHBondContact N-O 3.29Å; K172-G174 VanDerWaalsContact C-N 3.32Å; G174-I178 CarbonylContact C-O 3.51Å; G174-I178 WeakPolarHBondContact CA-O 3.26Å; G174-M180 VanDerWaalsContact CA-CE 3.48Å
175V97.3Very high94.2Very high15 Ų1557.7 Ų57.79%0.09130%0.303CS..EExtended strand (participates in β ladder)trans-121.1127.8176.8-171.30000109.1H17 Q113 Y114 G177 I178 M180 I183H17-V175 VanDerWaalsContact NE2-CG1 3.33Å; H17-V175 WeakPolarHBondContact NE2-CG1 3.38Å; Q113-V175 HydrophobicContact CB-CB 4.49Å; Q113-V175 HydrophobicContact CB-CG1 4.31Å; Q113-V175 HydrophobicContact CB-CG2 4.18Å; Q113-V175 CarbonylContact O-C 3.53Å; Q113-V175 WeakPolarHBondContact O-CA 3.29Å; Y114-V175 WeakPolarHBondContact O-CG1 3.41Å; V175-G177 PolarHBondContact O-N 3.5Å; V175-I178 PolarHBondContact N-O 3.05Å; V175-I178 VanDerWaalsContact O-CB 3.28Å; V175-I178 WeakPolarHBondContact O-CB 3.25Å; V175-I178 PolarHBondContact O-N 2.93Å; V175-M180 HydrophobicContact CG2-CE 3.69Å; V175-I183 HydrophobicContact CB-CD1 4.07Å; V175-I183 HydrophobicContact CG2-CD1 3.97Å
176A96.7Very high93.1Very high3 Ų354.8 Ų54.83%0.02530%0.295CS..THydrogen-bonded Turntrans53.726.3175.700000115.4F29 L30 Q113 D115F29-A176 WeakPolarHBondContact CE1-O 3.35Å; L30-A176 HydrophobicContact CD1-CB 4.14Å; L30-A176 HydrophobicContact CD2-CB 4.14Å; L30-A176 HydrophobicContact CG-CB 4.21Å; Q113-A176 PolarHBondContact O-N 2.86Å; D115-A176 HydrophobicContact CB-CB 4Å
177G96.2Very high91.7Very high21 Ų2155.3 Ų55.322%0.21630%0.302CS..THydrogen-bonded Turntrans891.3-176.500000114.8Y105 W112 V175Y105-G177 PolarHBondContact OH-N 3.26Å; W112-G177 VanDerWaalsContact CZ3-C 3.42Å; W112-G177 VanDerWaalsContact CZ3-CA 3.47Å; V175-G177 PolarHBondContact O-N 3.5Å
178I96.6Very high90Very high1 Ų157.9 Ų57.91%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-89.8121172.7-54.2169.5000108.5H17 F29 P57 L59 G174 V175 T182 I183H17-I178 HydrophobicContact CB-CD1 3.6Å; F29-I178 HydrophobicContact CB-CD1 4.02Å; F29-I178 HydrophobicContact CD1-CD1 3.78Å; F29-I178 HydrophobicContact CD1-CG1 3.61Å; F29-I178 HydrophobicContact CD2-CD1 4.24Å; F29-I178 HydrophobicContact CD2-CG1 4.15Å; F29-I178 HydrophobicContact CE1-CD1 4.28Å; F29-I178 HydrophobicContact CE1-CG1 3.57Å; F29-I178 HydrophobicContact CE2-CG1 4.13Å; F29-I178 HydrophobicContact CG-CD1 3.75Å; F29-I178 HydrophobicContact CG-CG1 3.9Å; F29-I178 HydrophobicContact CZ-CG1 3.84Å; P57-I178 HydrophobicContact CG-CG2 4.5Å; L59-I178 HydrophobicContact CD1-CD1 4.21Å; L59-I178 HydrophobicContact CD1-CG2 3.69Å; L59-I178 HydrophobicContact CD2-CD1 4.17Å; G174-I178 CarbonylContact C-O 3.51Å; G174-I178 WeakPolarHBondContact CA-O 3.26Å; V175-I178 PolarHBondContact N-O 3.05Å; V175-I178 VanDerWaalsContact O-CB 3.28Å; V175-I178 WeakPolarHBondContact O-CB 3.25Å; V175-I178 PolarHBondContact O-N 2.93Å; I178-T182 HydrophobicContact CG2-CG2 4.19Å; I178-I183 HydrophobicContact CB-CD1 4.11Å; I178-I183 HydrophobicContact CB-CG1 4.4Å; I178-I183 HydrophobicContact CG2-CD1 3.86Å; I178-I183 HydrophobicContact CG2-CG1 3.61Å
179K96.4Very high88Confident107 Ų10758.1 Ų58.147%0.46532%0.323SS..EExtended strand (participates in β ladder)trans-62.6146.1-177.9-65.3173.8-178.1167.70111.5W112 S181 T182 I183W112-K179 HydrophobicContact CH2-CG 4.34Å; K179-S181 PolarHBondContact O-N 3.09Å; K179-T182 PolarHBondContact O-N 3.02Å; K179-I183 PolarHBondContact O-N 3.1Å
180M94.3Very high85.8Confident45 Ų4555.3 Ų55.322%0.22231%0.306CS..Hα-helixtrans-53.5-39.5173.6-77.3-68.498.300112.8K172 K173 G174 V175 T182 I183 Q184K172-M180 HydrophobicContact CG-SD 4.42Å; K173-M180 PolarHBondContact O-N 2.95Å; K173-M180 VanDerWaalsContact O-N 3.11Å; G174-M180 VanDerWaalsContact CA-CE 3.48Å; V175-M180 HydrophobicContact CG2-CE 3.69Å; M180-T182 VanDerWaalsContact C-N 3.3Å; M180-T182 PolarHBondContact O-N 2.88Å; M180-I183 HydrophobicContact CE-CD1 3.48Å; M180-I183 VanDerWaalsContact CE-CD1 3.48Å; M180-I183 PolarHBondContact O-N 3.33Å; M180-Q184 WeakPolarHBondContact O-CB 3.44Å; M180-Q184 WeakPolarHBondContact O-CG 3.21Å; M180-Q184 PolarHBondContact O-N 3.41Å
181S93Very high83.1Confident67 Ų6760.1 Ų60.147%0.46934%0.335SS..Hα-helixtrans-58.9-38.7177.258.10000113.1K179 S185K179-S181 PolarHBondContact O-N 3.09Å; S181-S185 WeakPolarHBondContact O-CB 3.48Å; S181-S185 PolarHBondContact O-N 2.96Å; S181-S185 VanDerWaalsContact O-N 3.12Å; S181-S185 PolarHBondContact O-OG 3.28Å
182T91.2Very high80.2Confident8 Ų855.8 Ų55.85%0.04933%0.325CS..Hα-helixtrans-70.5-41.8178.1-55.70000110.7N56 P57 L59 I178 K179 M180 S185 S186N56-T182 PolarHBondContact OD1-OG1 2.96Å; N56-T182 VanDerWaalsContact OD1-OG1 3.05Å; P57-T182 HydrophobicContact CG-CG2 4.23Å; L59-T182 HydrophobicContact CD1-CG2 4.17Å; I178-T182 HydrophobicContact CG2-CG2 4.19Å; K179-T182 PolarHBondContact O-N 3.02Å; M180-T182 VanDerWaalsContact C-N 3.3Å; M180-T182 PolarHBondContact O-N 2.88Å; T182-S185 PolarHBondContact O-N 3.11Å; T182-S186 PolarHBondContact O-N 3.47Å; T182-S186 VanDerWaalsContact O-N 3.1Å; T182-S186 PolarHBondContact O-OG 2.83Å
183I88Confident77.3Confident44 Ų4458.9 Ų58.923%0.22635%0.348CS..Hα-helixtrans-65.4-42.8179.4-68.6162.7000111.5L59 V175 I178 K179 M180 S185 S186 S187L59-I183 HydrophobicContact CD1-CG1 4.31Å; V175-I183 HydrophobicContact CB-CD1 4.07Å; V175-I183 HydrophobicContact CG2-CD1 3.97Å; I178-I183 HydrophobicContact CB-CD1 4.11Å; I178-I183 HydrophobicContact CB-CG1 4.4Å; I178-I183 HydrophobicContact CG2-CD1 3.86Å; I178-I183 HydrophobicContact CG2-CG1 3.61Å; K179-I183 PolarHBondContact O-N 3.1Å; M180-I183 HydrophobicContact CE-CD1 3.48Å; M180-I183 VanDerWaalsContact CE-CD1 3.48Å; M180-I183 PolarHBondContact O-N 3.33Å; I183-S185 VanDerWaalsContact C-N 3.32Å; I183-S185 PolarHBondContact O-N 2.99Å; I183-S186 WeakPolarHBondContact CA-OG 3.15Å; I183-S186 PolarHBondContact O-N 3.03Å; I183-S186 PolarHBondContact O-OG 3.42Å; I183-S187 PolarHBondContact O-N 2.81Å
184Q86.2Confident74.1Confident118 Ų11861.1 Ų61.155%0.55137%0.372SS*.Hα-helixtrans-67.1-32.4176.4-69.8170.1-8.900112.4M180 S187 N188M180-Q184 WeakPolarHBondContact O-CB 3.44Å; M180-Q184 WeakPolarHBondContact O-CG 3.21Å; M180-Q184 PolarHBondContact O-N 3.41Å; Q184-S187 PolarHBondContact O-OG 2.87Å; Q184-N188 PolarHBondContact O-N 3.43Å; Q184-N188 PolarHBondContact O-OD1 2.75Å
185S83.3Confident71.2Confident69 Ų6970.4 Ų70.448%0.48341%0.412SS..Hα-helixtrans-70.8-38.3177-58.90000111.9S181 T182 I183 S187 N188 S189S181-S185 WeakPolarHBondContact O-CB 3.48Å; S181-S185 PolarHBondContact O-N 2.96Å; S181-S185 VanDerWaalsContact O-N 3.12Å; S181-S185 PolarHBondContact O-OG 3.28Å; T182-S185 PolarHBondContact O-N 3.11Å; I183-S185 VanDerWaalsContact C-N 3.32Å; I183-S185 PolarHBondContact O-N 2.99Å; S185-S187 VanDerWaalsContact C-N 3.32Å; S185-S187 PolarHBondContact O-N 2.93Å; S185-N188 PolarHBondContact O-N 3.35Å; S185-S189 PolarHBondContact O-N 3.01Å; S185-S189 PolarHBondContact O-OG 3.34Å
186S74.3Confident68.3Low18 Ų1878.5 Ų78.513%0.12645%0.449CS..Hα-helixtrans-64.7-34.2176.241.20000112.8N61 T182 I183N61-S186 PolarHBondContact ND2-O 3.42Å; T182-S186 PolarHBondContact O-N 3.47Å; T182-S186 VanDerWaalsContact O-N 3.1Å; T182-S186 PolarHBondContact O-OG 2.83Å; I183-S186 WeakPolarHBondContact CA-OG 3.15Å; I183-S186 PolarHBondContact O-N 3.03Å; I183-S186 PolarHBondContact O-OG 3.42Å
187S69.2Low65.3Low60 Ų6083.9 Ų83.942%0.4249%0.486SS..Hα-helixtrans-73-26.3177.354.30000113.7I183 Q184 S185 T190I183-S187 PolarHBondContact O-N 2.81Å; Q184-S187 PolarHBondContact O-OG 2.87Å; S185-S187 VanDerWaalsContact C-N 3.32Å; S185-S187 PolarHBondContact O-N 2.93Å; S187-T190 PolarHBondContact O-OG1 2.55Å; S187-T190 VanDerWaalsContact O-OG1 3.05Å
188N58.5Low62.2Low115 Ų11591.3 Ų91.362%0.61552%0.515SS*.Hα-helixtrans-90.9-20.1-175.5-68.61.4000113.7Q184 S185 T190Q184-N188 PolarHBondContact O-N 3.43Å; Q184-N188 PolarHBondContact O-OD1 2.75Å; S185-N188 PolarHBondContact O-N 3.35Å; N188-T190 PolarHBondContact O-N 3.13Å
189S53.5Low59.6Low72 Ų7298.9 Ų98.950%0.50355%0.554SS.*G310 helixtrans-71.4-10.4-175.1-57.20000113.7S185S185-S189 PolarHBondContact O-N 3.01Å; S185-S189 PolarHBondContact O-OG 3.34Å
190T45.5Very low56.8Low69 Ų69102.4 Ų102.442%0.42357%0.572SS.*G310 helixtrans-80.9-13.7-179.239.30000114D64 S187 N188D64-T190 WeakPolarHBondContact OD1-CG2 3.31Å; S187-T190 PolarHBondContact O-OG1 2.55Å; S187-T190 VanDerWaalsContact O-OG1 3.05Å; N188-T190 PolarHBondContact O-N 3.13Å
191T37.2Very low54.1Low122 Ų122109.7 Ų109.775%0.74861%0.606SS**G310 helixtrans-90-8.6-178.3-29.80000114.1
192S35.9Very low51.5Low92 Ų92110.2 Ų110.264%0.64361%0.614SS**SBendtrans-117.4-1-169.655.90000116.4
193V35.6Very low49.2Very low118 Ų118115.4 Ų115.472%0.71565%0.646SS**SBendtrans-96.7-15.6-176.3-177.30000113.3K195V193-K195 PolarHBondContact O-N 3.37Å
194C30.9Very low47.2Very low120 Ų120121.2 Ų121.281%0.81167%0.672SS**THydrogen-bonded Turntrans-9023.4-177.6-102.50000116.1
195K35.5Very low45.3Very low194 Ų194119.9 Ų119.984%0.84368%0.675SS**THydrogen-bonded Turntrans-12716.3-178.9-73.4-171.3177-178.80115.4V193V193-K195 PolarHBondContact O-N 3.37Å
196Q35.5Very low43.3Very low185 Ų185124 Ų12486%0.86469%0.692SS**  trans-135.168.3-179.8-71.7-177.5-13.100111.5
197S33.4Very low42Very low116 Ų116127.4 Ų127.481%0.81172%0.716SS**  trans-163.666.1157.660.40000109.4
198E33Very low40.6Very low177 Ų177132.4 Ų132.483%0.82774%0.738SS**  trans-122.6148.2161.5-73.9-179.416800106.6
199I40Very low39.5Very low161 Ų161129.9 Ų129.983%0.82674%0.739SS**  trans81.6112.4-178.8-35.7156.7000109.4
200E38.3Very low38.6Very low181 Ų181135.6 Ų135.685%0.84676%0.756SS**  cis-160.314141.9-67.4166.7159.900107.9
201E38.6Very low38.2Very low198 Ų198138.2 Ų138.293%0.92577%0.767SS**  -178.6123.4118.5-153.2155.3-162.400109.8
202A38.1Very low38.3Very low78 Ų78138.6 Ų138.665%0.64576%0.764SS**  trans-87.4164.5-175.100000111.7
203T43Very low38.4Very low116 Ų116140.3 Ų140.371%0.71277%0.766SS**  trans74.9105.1157.665.70000117.4
204H44.8Very low38.9Very low167 Ų167138.5 Ų138.577%0.77376%0.759SS**  172.7107.1100.7-93.6-72.1000112.4
205S47.3Very low39.3Very low89 Ų89139 Ų13962%0.62275%0.754SS**  trans52.6119133.641.20000122.8
206N41.3Very low39.7Very low157 Ų157137.5 Ų137.584%0.8476%0.755SS**  trans63.7143.8131.5-71.6-1.8000119.5
207S46.7Very low39.8Very low89 Ų89136 Ų13662%0.62275%0.752SS**  cis179.9142.6-7.445.80000108
208N39.7Very low40.1Very low164 Ų164138.6 Ų138.688%0.87776%0.756SS**  trans66.2133.5144.6-65.2-7.3000123.3
209G35.8Very low40.3Very low63 Ų63134.9 Ų134.965%0.64975%0.75SS**  trans132.490.214700000113.4
210F34.5Very low40.4Very low192 Ų192132 Ų13284%0.84275%0.745SS**  52.9137.795.3-80.9-91.6000113.7
211N37.5Very low40.5Very low124 Ų124131.1 Ų131.166%0.66375%0.745SS**  cis-174.7156.6-11.4-122.114.9000105.4
212D38.2Very low40.5Very low130 Ų130129.6 Ų129.670%0.69574%0.743SS**  trans70.4124.2145-100.3-19.5000124.2
213D38.6Very low40.5Very low128 Ų128132 Ų13268%0.68475%0.751SS**  104.4117.8118.5-94.4-36.7000123
214S46.3Very low39.9Very low79 Ų79131.2 Ų131.255%0.55275%0.75SS**  92.8112.4124.4-77.10000121.5
215N40.1Very low39.4Very low132 Ų132131.3 Ų131.371%0.70675%0.754SS**  72.8118.2129.3-62.3-31.8000120.4
216N42.5Very low38.7Very low162 Ų162134.8 Ų134.887%0.86676%0.761SS**  -178.6138.198.2-91.8-42.2000114.6
217N37.5Very low38.3Very low152 Ų152132.6 Ų132.681%0.81376%0.758SS**  trans-67.6153.3170.3-84.8-48.8000113.2
218L40.9Very low37.7Very low171 Ų171133.6 Ų133.690%0.89577%0.765SS**  -163.8134.8122.1-14366.7000114.2
219S36.4Very low37.3Very low99 Ų99133.2 Ų133.269%0.69276%0.763SS**  trans-69.7159.4-177.5-47.50000116.1
220S43.2Very low37.3Very low102 Ų102141 Ų14171%0.71377%0.774SS**  175.2118.6115.841.90000115.4
221N39.8Very low37Very low161 Ų161135.5 Ų135.586%0.86177%0.771SS**  71.6112.2129.3-55.7-26.2000123.6
222L39.4Very low36.7Very low166 Ų166135.1 Ų135.187%0.86978%0.777SS**  trans-73.2171.6153.2-85.7132.2000112.4
223P37.1Very low36.7Very low128 Ų128136.2 Ų136.283%0.83178%0.782SS**  -145.1159.9104.732-12.6000117.8
224C29.8Very low36.6Very low100 Ų100137.1 Ų137.168%0.67678%0.782SS**  trans-72.9153.9178.3166.40000115.1
225I35.2Very low36.3Very low170 Ų170138.1 Ų138.187%0.87279%0.789SS**  trans-142.8147.9148.2-60.4-172.4000111.3
226Q33.4Very low36.5Very low161 Ų161138.1 Ų138.175%0.75279%0.789SS**  trans-94.7155.5-153.5-66.4169.2-27.500117.7
227S30.8Very low36.5Very low112 Ų112136.7 Ų136.778%0.78377%0.771SS**  trans56.5131.6131.7-56.70000123.6
228S36Very low36.8Very low110 Ų110134.1 Ų134.177%0.76977%0.766SS**  -170.7133.6114.4460000114
229N30Very low37Very low155 Ų155133.5 Ų133.583%0.82976%0.756SS**  trans-76.4144.1171.3-83.2-30000111.7
230Y36.6Very low37Very low228 Ų228131.5 Ų131.589%0.89475%0.745SS**  trans-145.5117.4148-77.3-76.3000110.4
231G28.2Very low36.9Very low75 Ų75136.7 Ų136.777%0.77375%0.749SS**  trans-92.2155.9168.200000111.7
232C31.5Very low37Very low117 Ų117136.2 Ų136.279%0.79174%0.742SS**  trans-156.8102.7165.2-1600000112.7
233L37.6Very low37.2Very low153 Ų153134.5 Ų134.580%0.80173%0.732SS**  trans55.4113.9131.8-59.9166.9000121.9S235L233-S235 VanDerWaalsContact C-N 3.28Å; L233-S235 PolarHBondContact O-N 3.42Å
234E35.8Very low37.4Very low147 Ų147134 Ų13469%0.68773%0.726SS**SBendtrans-60.827.6-179.2-155.972.5-141.900117.6R237E234-R237 IonicContact OE1-CZ 3.66Å; E234-R237 IonicContact OE1-NH1 3.76Å; E234-R237 PolarHBondContact OE1-NH1 2.93Å
235S41.3Very low38Very low99 Ų99135.7 Ų135.769%0.69273%0.729SS**  trans-103-6.4-167.3-56.30000117.2L233L233-S235 VanDerWaalsContact C-N 3.28Å; L233-S235 PolarHBondContact O-N 3.42Å
236D42.6Very low38.3Very low133 Ų133131.2 Ų131.271%0.71172%0.717SS**  trans-102.86-169.6-77.8-36.3000116.1S238D236-S238 VanDerWaalsContact C-N 3.32Å; D236-S238 PolarHBondContact O-N 3.43Å
237R43.3Very low38.7Very low131 Ų131130.6 Ų130.649%0.49472%0.719SS.*THydrogen-bonded Turntrans-74.5-14.6-175.3-78.5174.5154.7176.4-13.6115.1E234E234-R237 IonicContact OE1-CZ 3.66Å; E234-R237 IonicContact OE1-NH1 3.76Å; E234-R237 PolarHBondContact OE1-NH1 2.93Å
238S44.8Very low39.1Very low99 Ų99136.7 Ų136.769%0.69273%0.725SS**THydrogen-bonded Turntrans-97.6-16.3-172.8-57.40000115.1D236D236-S238 VanDerWaalsContact C-N 3.32Å; D236-S238 PolarHBondContact O-N 3.43Å
239K43.9Very low39.3Very low158 Ų158138.8 Ų138.869%0.68773%0.727SS**THydrogen-bonded Turntrans-89.6-19.1178.9-81176.2177.7172.30114.4R241K239-R241 VanDerWaalsContact C-N 3.28Å; K239-R241 PolarHBondContact O-N 2.83Å
240A36.3Very low39.5Very low57 Ų57136.6 Ų136.647%0.47172%0.723SS.*THydrogen-bonded Turntrans-73.7-16.1-179.900000113.9
241R42Very low39.4Very low210 Ų210132.1 Ų132.179%0.79272%0.72SS**THydrogen-bonded Turntrans-87.7-20.9-179.3-76.5-179.7170.2171.8-2.6114.4K239K239-R241 VanDerWaalsContact C-N 3.28Å; K239-R241 PolarHBondContact O-N 2.83Å
242E41.2Very low39.7Very low151 Ų151134.7 Ų134.771%0.70672%0.723SS**THydrogen-bonded Turntrans-85.4-22.4-176.6-77.4178.415200113.8V244E242-V244 VanDerWaalsContact C-N 3.34Å; E242-V244 PolarHBondContact O-N 3.35Å
243I42.9Very low39.6Very low131 Ų131135.9 Ų135.967%0.67271%0.712SS**G310 helixtrans-78.9-19.7-176.6-60.3174.7000112.1N245I243-N245 PolarHBondContact O-N 2.9Å
244V43Very low39.4Very low116 Ų116136.5 Ų136.570%0.70372%0.715SS**G310 helixtrans-78.3-18.6-175.4-177.70000113.1E242E242-V244 VanDerWaalsContact C-N 3.34Å; E242-V244 PolarHBondContact O-N 3.35Å
245N40.7Very low39.2Very low137 Ų137134.7 Ų134.773%0.73372%0.718SS**G310 helixtrans-98.3-6.4-173.5-77.5-21.2000115.6I243I243-N245 PolarHBondContact O-N 2.9Å
246A43.3Very low38.6Very low75 Ų75133.3 Ų133.362%0.6272%0.72SS**SBendtrans-91.7-13-17100000115.9R248A246-R248 PolarHBondContact O-N 3.29Å
247N41.5Very low38.2Very low149 Ų149131.1 Ų131.180%0.79771%0.708SS**  trans-99.838.3-173.8-77.9-17.2000114.3
248R38.6Very low37.8Very low239 Ų239132.7 Ų132.790%0.90272%0.721SS**  trans-92.319.3-178.4-123-176.6-158.6-115.65.3115A246A246-R248 PolarHBondContact O-N 3.29Å
249L40.5Very low37.4Very low155 Ų155133.7 Ų133.781%0.81273%0.727SS**SBendtrans-121.5103176.7-81.9117.3000112.7
250S35Very low36.8Very low108 Ų108130.8 Ų130.876%0.75572%0.722SS**  trans50.7102.2138.945.40000119.5
251T33.6Very low37Very low135 Ų135134.1 Ų134.183%0.82873%0.726SS**  trans-129.9136.7144.338.60000110.3
252P34.4Very low36.5Very low129 Ų129129.3 Ų129.384%0.83872%0.72SS**  trans-75.1142.5-171.2-10.227.2000112.7
253Y29.6Very low36.4Very low142 Ų142127.9 Ų127.956%0.55772%0.717SS**  trans-76.7122.1-179.1-149.2-100.2000110.6F108F108-Y253 WeakPolarHBondContact CD2-OH 3.14Å; F108-Y253 HydrophobicContact CE2-CE1 4.3Å; F108-Y253 WeakPolarHBondContact CE2-OH 3.31Å
254L34Very low36.2Very low165 Ų165129 Ų12986%0.86472%0.724SS**  trans-102112.4159-76.9172.3000108.1
255S29.8Very low36.1Very low109 Ų109129 Ų12976%0.76273%0.726SS**  trans-62.3124.4173.749.50000110.6
256G30.1Very low36.1Very low70 Ų70126.3 Ų126.372%0.72271%0.712SS**  trans-170.146.717800000111.1E258G256-E258 PolarHBondContact O-N 3.49Å
257D34.2Very low36Very low88 Ų88129 Ų12947%0.47172%0.723SS.*  trans-86.784.4163.3-85.53.2000107.3F108F108-D257 WeakPolarHBondContact CB-OD2 3.15Å; F108-D257 WeakPolarHBondContact CD2-OD2 3.3Å; F108-D257 WeakPolarHBondContact CG-OD2 3.25Å
258E34.7Very low36.2Very low164 Ų164126 Ų12677%0.76671%0.714SS**  trans-162.6105.2146.9-81.2-142.8113.800106.6G256 V260G256-E258 PolarHBondContact O-N 3.49Å; E258-V260 HydrophobicContact CB-CG2 3.93Å; E258-V260 PolarHBondContact O-N 2.86Å
259C36.1Very low36.3Very low119 Ų119124.9 Ų124.980%0.80471%0.71SS**  trans-70.383.1153.7-610000105.8F261C259-F261 VanDerWaalsContact C-N 3.33Å; C259-F261 PolarHBondContact O-N 3.35Å
260V31.9Very low36.3Very low97 Ų97123.2 Ų123.259%0.58871%0.711SS**  trans-58.6104165.9178.90000105.8E258 T262E258-V260 HydrophobicContact CB-CG2 3.93Å; E258-V260 PolarHBondContact O-N 2.86Å; V260-T262 HydrophobicContact CG1-CG2 4.08Å; V260-T262 PolarHBondContact O-N 2.79Å
261F39.5Very low36.8Very low128 Ų128123 Ų12356%0.56171%0.705SS**  trans-67.887.3168.6-85.6-85.2000107.1C259 D263C259-F261 VanDerWaalsContact C-N 3.33Å; C259-F261 PolarHBondContact O-N 3.35Å; F261-D263 PolarHBondContact O-N 3.3Å; F261-D263 VanDerWaalsContact O-N 3.08Å
262T32.9Very low37.2Very low108 Ų108122.3 Ų122.366%0.66371%0.706SS**  trans-69.2103.2161.752.30000106.7V260 L264V260-T262 HydrophobicContact CG1-CG2 4.08Å; V260-T262 PolarHBondContact O-N 2.79Å; T262-L264 PolarHBondContact O-N 3.27Å
263D37.6Very low37.9Very low121 Ų121121.6 Ų121.665%0.64770%0.704SS**  trans-59.699.9169.8-77.7-43.3000108.4R40 F261R40-D263 IonicContact CZ-OD1 2.69Å; R40-D263 IonicContact NH1-OD1 3.41Å; R40-D263 PolarHBondContact NH1-OD1 2.91Å; R40-D263 IonicContact NH2-OD1 3.66Å; F261-D263 PolarHBondContact O-N 3.3Å; F261-D263 VanDerWaalsContact O-N 3.08Å
264L39.6Very low38.4Very low154 Ų154118.3 Ų118.381%0.80671%0.713SS**PPolyproline II helixtrans-71.7128.2165.5-73.2170.1000108T262 D266T262-L264 PolarHBondContact O-N 3.27Å; L264-D266 PolarHBondContact O-N 2.91Å
265P39.7Very low38.9Very low116 Ų116116.3 Ų116.375%0.75371%0.71SS**PPolyproline II helixtrans-66.1133.8179.524.6-30.4000111.1
266D41.4Very low39.6Very low82 Ų82122.4 Ų122.444%0.43972%0.716SS.*PPolyproline II helixtrans-58.5120.7178.7-147-13.1000109.9L264 S268L264-D266 PolarHBondContact O-N 2.91Å; D266-S268 PolarHBondContact O-N 3.47Å
267P41.8Very low40.5Very low131 Ų131125.8 Ų125.885%0.85172%0.718SS**SBendtrans-76.118.9-175.428.9-32.5000114.2
268S44.3Very low41.3Very low87 Ų87130 Ų13061%0.60874%0.735SS**  trans-107.729.9-174.774.30000114.8D266D266-S268 PolarHBondContact O-N 3.47Å
269R40.5Very low42.1Very low215 Ų215133.9 Ų133.981%0.81174%0.742SS**  trans-110.378.1171.1-152.2173.1-169.6-126.73110.5T271R269-T271 HydrophobicContact CG-CG2 4.43Å; R269-T271 PolarHBondContact O-N 2.76Å; R269-T271 VanDerWaalsContact O-N 3.15Å
270S41.7Very low42.6Very low119 Ų119135.9 Ų135.983%0.83275%0.745SS**  trans-71.596.4163.143.10000109.1
271T45Very low43.3Very low103 Ų103136.9 Ų136.963%0.63275%0.754SS**  trans-86.1102.5160.846.90000108.1R269 S273R269-T271 HydrophobicContact CG-CG2 4.43Å; R269-T271 PolarHBondContact O-N 2.76Å; R269-T271 VanDerWaalsContact O-N 3.15Å; T271-S273 PolarHBondContact O-N 3.41Å
272S43.1Very low44Very low122 Ų122136.7 Ų136.785%0.85377%0.768SS**  trans-76.399.616960.30000109.6
273S47.4Very low44.8Very low114 Ų114137.2 Ų137.280%0.79777%0.773SS**  trans-157.5105.3152.9460000108.4T271T271-S273 PolarHBondContact O-N 3.41Å
274G41Very low45.4Very low72 Ų72136.7 Ų136.774%0.74278%0.779SS**  trans-155.1127.4176.200000108.2
275P44Very low45.8Very low124 Ų124135.4 Ų135.481%0.80578%0.778SS**  trans-96.4151-159.734.2-26.8000113.8
276R44.9Very low46.2Very low236 Ų236135.8 Ų135.889%0.89178%0.783SS**  trans57104.8133.7-148.5178.7-153.1-156.44.8117.9
277N48.1Very low46.5Very low141 Ų141134.8 Ų134.875%0.75479%0.793SS**  trans-159.4110.7131.8-109.5-21.7000114
278Q52.1Low46.7Very low176 Ų176138 Ų13882%0.82280%0.796SS**  trans41.1122.3136.3-60.4-177.658.300121.2
279R50.6Low46.9Very low247 Ų247138.3 Ų138.393%0.93280%0.799SS**PPolyproline II helixtrans-85153.5166.5-71-179.1-162.9-157.82111.3
280N47Very low47.4Very low161 Ų161134.6 Ų134.686%0.86179%0.794SS**PPolyproline II helixtrans-48.2154.9-175.6-62.2-33.8000117.6
281P46.7Very low48Very low118 Ų118135.9 Ų135.977%0.76679%0.787SS**PPolyproline II helixtrans-100.1162.4177.939.1-31.8000113.7
282S55.3Low48.4Very low124 Ų124138 Ų13887%0.86779%0.789SS**  trans-149.5153.4159.8-77.60000110.7
283P49Very low48.9Very low119 Ų119142.2 Ų142.277%0.77379%0.786SS**  trans-122.5165.7-14039.6-26000115.8
284S49.6Very low49.3Very low110 Ų110143.2 Ų143.277%0.76978%0.783SS**  trans160.4142.4157.239.30000107.3
285T48.1Very low50.1Low126 Ų126149.3 Ų149.377%0.77378%0.783SS**  cis-171.3155.15.118.80000107.2
286S48.8Very low50.7Low124 Ų124151 Ų15187%0.86778%0.778SS**  trans72134151.163.30000122.4
287G47.5Very low51.3Low62 Ų62146.9 Ų146.964%0.63977%0.774SS**  trans126.185.3158.900000113.1
288E45.9Very low52Low197 Ų197149.6 Ų149.692%0.92180%0.804SS**  73136.3114.5-71.6-178.2134.200114.3
289S48.5Very low51.9Low95 Ų95148.3 Ų148.366%0.66480%0.803SS**  cis-173.9162.4-3.3-158.60000106.2
290L51Low52Low136 Ų136143.1 Ų143.171%0.71280%0.796SS**  trans69.5106.8154.9-61.3149.7000120
291H54.2Low52.3Low147 Ų147142.1 Ų142.168%0.68179%0.793SS**  164.8131.888.7-105.7-46000113.4
292H52.6Low52.6Low148 Ų148143.5 Ų143.569%0.68579%0.794SS**  trans39.1111.2146-69.2-24.1000121.4
293R54.9Low52.5Low209 Ų209144.8 Ų144.879%0.78979%0.79SS**  83.312673.2-97.4-171.9177.4175.50.5115.3
294N54.6Low52.7Low135 Ų135146.5 Ų146.572%0.72279%0.791SS**  trans78.8132.6148.3-66.9-19.8000116.1
295R57.9Low52.9Low201 Ų201149.1 Ų149.176%0.75879%0.792SS**  cis-173.9141.640.2-131.2170.4177.9-173.7-1.3110.8
296K56.6Low53.3Low159 Ų159150.8 Ų150.869%0.69179%0.794SS**  trans59.9119.9134.3-79.3-179.9-178.9-166.80121.9
297N59.2Low53.7Low149 Ų149153.1 Ų153.180%0.79779%0.788SS**  177.5144.390.6-98.8-12.8000112.3
298S61Low54.2Low199 Ų199161.4 Ų161.4100%1.39280%0.801SS**  trans71.20171.7-70.50000119

Retrieved 298 of 298 residues in 441.5 ms (Link to these results)

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