A0A061HWJ6_CRIGR Loading...

Endothelium and lymphocyte associated ASCH domain 1

AlphaFold DB , UniProt , Accession A0A061HWJ6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Eola1, Length 183 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
1M59.6Low88.1Confident173 Ų17345.5 Ų45.585%0.85222%0.221SC*.  0172.50-56.5169.1-124.900108.9E146M1-E146 VanDerWaalsContact CA-OE2 3.31Å; M1-E146 WeakPolarHBondContact CA-OE2 3.43Å; M1-E146 HydrophobicContact CB-CB 4.14Å; M1-E146 WeakPolarHBondContact CB-OE2 3.37Å; M1-E146 WeakPolarHBondContact CE-OE1 3.45Å; M1-E146 WeakPolarHBondContact CE-OE2 3.41Å; M1-E146 WeakPolarHBondContact CG-OE2 3.39Å; M1-E146 PolarHBondContact N-OE2 3.3Å; M1-E146 WeakPolarHBondContact O-CB 3.37Å; M1-E146 PolarHBondContact O-N 3.06Å
2K74.8Confident89Confident134 Ų13442.6 Ų42.658%0.58321%0.207SC*.EExtended strand (participates in β ladder)trans-127.6136.4171.5-60-174.7-177.7179.50110A143 L144 N145K2-A143 HydrophobicContact CB-CB 3.71Å; K2-A143 HydrophobicContact CD-CB 3.54Å; K2-A143 HydrophobicContact CG-CB 4.26Å; K2-L144 CarbonylContact C-O 3.57Å; K2-L144 WeakPolarHBondContact CA-O 3.39Å; K2-L144 WeakPolarHBondContact CB-O 3.22Å; K2-N145 VanDerWaalsContact CE-OD1 3.27Å; K2-N145 WeakPolarHBondContact CE-OD1 3.21Å
3F79.9Confident89.7Confident29 Ų2939.3 Ų39.313%0.12719%0.191CC..EExtended strand (participates in β ladder)trans-86.3121.2174-71.9-85.1000109.5T38 L86 A143 L144 E146 I149 I153F3-T38 HydrophobicContact CD1-CG2 4.14Å; F3-T38 HydrophobicContact CE1-CG2 3.85Å; F3-L86 HydrophobicContact CD1-CD2 4.13Å; F3-L86 HydrophobicContact CE1-CD1 4.46Å; F3-L86 HydrophobicContact CE1-CD2 4.38Å; F3-L86 HydrophobicContact CG-CD2 4.47Å; F3-A143 CarbonylContact O-C 3.49Å; F3-A143 WeakPolarHBondContact O-CA 3.41Å; F3-L144 HydrophobicContact CB-CB 4.46Å; F3-L144 PolarHBondContact N-O 2.93Å; F3-L144 PolarHBondContact O-N 3.48Å; F3-E146 HydrophobicContact CE2-CB 4.17Å; F3-E146 HydrophobicContact CE2-CG 4.06Å; F3-I149 HydrophobicContact CB-CD1 4.23Å; F3-I149 HydrophobicContact CD2-CB 4.32Å; F3-I149 HydrophobicContact CD2-CD1 3.92Å; F3-I149 HydrophobicContact CD2-CG2 4.34Å; F3-I149 HydrophobicContact CE2-CB 4.41Å; F3-I149 HydrophobicContact CE2-CG2 4.27Å; F3-I149 HydrophobicContact CG-CD1 4.36Å; F3-I153 HydrophobicContact CE2-CD1 4.31Å; F3-I153 HydrophobicContact CZ-CD1 4.09Å
4P89Confident90.3Very high33 Ų3336.6 Ų36.621%0.21418%0.179CC..EExtended strand (participates in β ladder)trans-57.2147163-16.129.6000109I39 A40P4-I39 HydrophobicContact CB-CB 4.39Å; P4-I39 HydrophobicContact CB-CG2 3.9Å; P4-I39 HydrophobicContact CG-CG2 4.13Å; P4-I39 CarbonylContact O-C 3.54Å; P4-I39 VanDerWaalsContact O-CA 3.27Å; P4-I39 WeakPolarHBondContact O-CA 3.33Å; P4-I39 WeakPolarHBondContact O-CB 3.35Å; P4-A40 PolarHBondContact O-N 3.36Å
5C90.8Very high90.9Very high16 Ų1634.4 Ų34.411%0.10817%0.168CC..EExtended strand (participates in β ladder)trans-127.3137.5-180-175.90000110A40 C141 Y142 L144C5-A40 WeakPolarHBondContact CA-O 3.21Å; C5-A40 HydrophobicContact CB-CB 4.01Å; C5-C141 WeakPolarHBondContact O-CA 3.47Å; C5-Y142 WeakPolarHBondContact CB-O 3.31Å; C5-Y142 PolarHBondContact N-O 2.98Å; C5-L144 HydrophobicContact CB-CD1 3.89Å; C5-L144 HydrophobicContact CB-CG 4.47Å
6L92.9Very high91.3Very high11 Ų1132.3 Ų32.36%0.05816%0.158CC..EExtended strand (participates in β ladder)trans-125.5137.3175-171.958.7000110.2F8 L30 L31 I39 A40 H42L6-F8 HydrophobicContact CB-CE2 3.72Å; L6-F8 HydrophobicContact CB-CZ 4.14Å; L6-F8 HydrophobicContact CD2-CE1 4.44Å; L6-F8 HydrophobicContact CD2-CE2 4.22Å; L6-F8 HydrophobicContact CD2-CZ 3.82Å; L6-F8 HydrophobicContact CG-CE2 3.95Å; L6-F8 HydrophobicContact CG-CZ 4.06Å; L6-F8 WeakPolarHBondContact O-CD2 3.25Å; L6-F8 VanDerWaalsContact O-CE2 3.23Å; L6-F8 WeakPolarHBondContact O-CE2 3.39Å; L6-L30 HydrophobicContact CD1-CD2 3.59Å; L6-L30 HydrophobicContact CD2-CD2 4.4Å; L6-L31 HydrophobicContact CD2-CD2 3.69Å; L6-L31 HydrophobicContact CD2-CG 4.22Å; L6-I39 HydrophobicContact CB-CD1 3.94Å; L6-I39 HydrophobicContact CD2-CD1 4.48Å; L6-A40 PolarHBondContact N-O 2.79Å; L6-H42 PolarHBondContact O-N 2.68Å
7S94Very high91.8Very high19 Ų1930.8 Ų30.813%0.13315%0.15CC..EExtended strand (participates in β ladder)trans-84.6135.3175.9-168.60000111.3H42 A44 P139S7-H42 CarbonylContact C-O 3.57Å; S7-H42 WeakPolarHBondContact CA-O 3.37Å; S7-H42 WeakPolarHBondContact CB-ND1 3.48Å; S7-H42 PolarHBondContact OG-ND1 3.13Å; S7-A44 WeakPolarHBondContact OG-CB 3.36Å; S7-P139 VanDerWaalsContact CB-O 3.29Å; S7-P139 WeakPolarHBondContact CB-O 3.31Å
8F95.7Very high92.1Very high9 Ų931.7 Ų31.74%0.03916%0.156CC..EExtended strand (participates in β ladder)trans-125.2139.1176.3-60.9-100.6000108.8L6 A13 I16 E24 I41 H42 A44L6-F8 HydrophobicContact CB-CE2 3.72Å; L6-F8 HydrophobicContact CB-CZ 4.14Å; L6-F8 HydrophobicContact CD2-CE1 4.44Å; L6-F8 HydrophobicContact CD2-CE2 4.22Å; L6-F8 HydrophobicContact CD2-CZ 3.82Å; L6-F8 HydrophobicContact CG-CE2 3.95Å; L6-F8 HydrophobicContact CG-CZ 4.06Å; L6-F8 WeakPolarHBondContact O-CD2 3.25Å; L6-F8 VanDerWaalsContact O-CE2 3.23Å; L6-F8 WeakPolarHBondContact O-CE2 3.39Å; F8-A13 HydrophobicContact CB-CB 3.75Å; F8-I16 HydrophobicContact CD1-CD1 3.56Å; F8-I16 HydrophobicContact CE1-CD1 3.56Å; F8-I16 HydrophobicContact CG-CD1 4.34Å; F8-I16 HydrophobicContact CZ-CD1 4.36Å; F8-E24 HydrophobicContact CE1-CG 4.07Å; F8-E24 WeakPolarHBondContact CE1-OE1 3.21Å; F8-I41 HydrophobicContact CD2-CB 4.39Å; F8-I41 HydrophobicContact CD2-CG1 4.27Å; F8-I41 HydrophobicContact CD2-CG2 3.82Å; F8-I41 HydrophobicContact CE2-CB 4.43Å; F8-I41 HydrophobicContact CE2-CG1 3.91Å; F8-I41 HydrophobicContact CE2-CG2 4.33Å; F8-H42 PolarHBondContact N-O 2.8Å; F8-A44 WeakPolarHBondContact O-CB 3.49Å; F8-A44 PolarHBondContact O-N 2.88Å
9R96.9Very high92.4Very high59 Ų5931.9 Ų31.922%0.22317%0.168CC..EExtended strand (participates in β ladder)trans-83.5154.8174-60.3-161.9-167169.29.1109.9Y12 A13 A44 R46 D47 E49R9-Y12 PolarHBondContact O-N 2.66Å; R9-A13 PolarHBondContact O-N 2.98Å; R9-A13 VanDerWaalsContact O-N 3.14Å; R9-A44 HydrophobicContact CG-CB 4.11Å; R9-R46 VanDerWaalsContact CB-O 3.3Å; R9-R46 WeakPolarHBondContact CB-O 3.41Å; R9-R46 WeakPolarHBondContact CD-O 3.49Å; R9-R46 WeakPolarHBondContact CG-O 3.39Å; R9-D47 WeakPolarHBondContact CD-O 3.5Å; R9-D47 PolarHBondContact NH1-O 2.91Å; R9-D47 VanDerWaalsContact NH1-O 3.14Å; R9-E49 IonicContact CZ-OE1 3.88Å; R9-E49 IonicContact NH1-OE1 3.02Å; R9-E49 PolarHBondContact NH1-OE1 2.9Å; R9-E49 IonicContact NH2-OE1 3.78Å; R9-E49 PolarHBondContact NH2-OE1 2.98Å
10Q97.8Very high92.7Very high6 Ų632 Ų323%0.02817%0.169CC..EExtended strand (participates in β ladder)trans-73.6146170.2-67.8-73.737.900110.5I43 W48 G75 E76Q10-I43 HydrophobicContact CG-CG2 3.86Å; Q10-W48 WeakPolarHBondContact O-CB 3.49Å; Q10-W48 PolarHBondContact O-N 2.97Å; Q10-G75 PolarHBondContact NE2-O 3.46Å; Q10-E76 WeakPolarHBondContact CG-OE1 3.44Å; Q10-E76 PolarHBondContact NE2-OE2 3.16Å
11P98.2Very high93Very high11 Ų1130.7 Ų30.77%0.07116%0.162CC..THydrogen-bonded Turncis-85.5-5.26.436-38.1000114.4A13 G14 L15 W53 L72P11-A13 VanDerWaalsContact C-N 3.3Å; P11-A13 PolarHBondContact O-N 2.74Å; P11-G14 PolarHBondContact O-N 2.8Å; P11-G14 VanDerWaalsContact O-N 3.15Å; P11-L15 HydrophobicContact CB-CD1 4.31Å; P11-L15 HydrophobicContact CB-CG 4.37Å; P11-L15 HydrophobicContact CG-CD1 4.18Å; P11-L15 WeakPolarHBondContact O-CG 3Å; P11-L15 PolarHBondContact O-N 2.82Å; P11-W53 HydrophobicContact CG-CD2 3.59Å; P11-W53 HydrophobicContact CG-CE3 4.01Å; P11-W53 HydrophobicContact CG-CG 3.96Å; P11-W53 HydrophobicContact CG-CH2 4.31Å; P11-W53 HydrophobicContact CG-CZ2 3.93Å; P11-W53 HydrophobicContact CG-CZ3 4.34Å; P11-L72 HydrophobicContact CB-CD2 3.65Å
12Y98.5Very high94.8Very high11 Ų1125.1 Ų25.14%0.04314%0.138CC..Hα-helixtrans-61.9-32.9-171-68-62000114.4R9 L15 I16 K21 W48 W53 V112 L113R9-Y12 PolarHBondContact O-N 2.66Å; Y12-L15 HydrophobicContact CD1-CD1 3.97Å; Y12-L15 HydrophobicContact CE1-CD1 4.33Å; Y12-L15 PolarHBondContact O-N 2.76Å; Y12-I16 WeakPolarHBondContact O-CB 3.33Å; Y12-I16 WeakPolarHBondContact O-CD1 3.27Å; Y12-I16 WeakPolarHBondContact O-CG1 3.44Å; Y12-I16 PolarHBondContact O-N 2.75Å; Y12-K21 HydrophobicContact CD1-CD 3.49Å; Y12-K21 VanDerWaalsContact CD1-CD 3.49Å; Y12-K21 HydrophobicContact CE1-CD 4.18Å; Y12-K21 HydrophobicContact CG-CD 4.32Å; Y12-W48 HydrophobicContact CD2-CB 4.31Å; Y12-W48 AromaticContact CD2-CD2 3.94Å; Y12-W48 HydrophobicContact CD2-CD2 3.94Å; Y12-W48 HydrophobicContact CD2-CE3 4.06Å; Y12-W48 HydrophobicContact CD2-CG 4.02Å; Y12-W48 HydrophobicContact CE2-CB 4.22Å; Y12-W48 AromaticContact CE2-CD1 3.72Å; Y12-W48 AromaticContact CE2-CD2 3.5Å; Y12-W48 HydrophobicContact CE2-CD2 3.5Å; Y12-W48 VanDerWaalsContact CE2-CD2 3.5Å; Y12-W48 AromaticContact CE2-CE2 3.69Å; Y12-W48 HydrophobicContact CE2-CE3 4.03Å; Y12-W48 AromaticContact CE2-CG 3.55Å; Y12-W48 HydrophobicContact CE2-CG 3.55Å; Y12-W48 HydrophobicContact CE2-CZ2 4.35Å; Y12-W48 AromaticContact CE2-NE1 3.81Å; Y12-W53 HydrophobicContact CE1-CB 4.45Å; Y12-V112 HydrophobicContact CE1-CB 4.44Å; Y12-V112 WeakPolarHBondContact CE1-O 3.41Å; Y12-V112 PolarHBondContact OH-O 2.67Å; Y12-L113 VanDerWaalsContact OH-CD1 3.31Å; Y12-L113 WeakPolarHBondContact OH-CD1 3.47Å
13A98.1Very high96Very high0 Ų019 Ų190%011%0.112CC..Hα-helixtrans-59.6-48.9175.100000111.5F8 R9 P11 I16 L17 I41 I43F8-A13 HydrophobicContact CB-CB 3.75Å; R9-A13 PolarHBondContact O-N 2.98Å; R9-A13 VanDerWaalsContact O-N 3.14Å; P11-A13 VanDerWaalsContact C-N 3.3Å; P11-A13 PolarHBondContact O-N 2.74Å; A13-I16 PolarHBondContact O-N 2.81Å; A13-L17 WeakPolarHBondContact O-CG 3.29Å; A13-L17 PolarHBondContact O-N 3.03Å; A13-L17 VanDerWaalsContact O-N 3.1Å; A13-I41 HydrophobicContact CB-CG2 4.44Å; A13-I43 HydrophobicContact CB-CB 4.44Å; A13-I43 HydrophobicContact CB-CG1 3.95Å; A13-I43 HydrophobicContact CB-CG2 4.26Å
14G98.3Very high96.8Very high2 Ų218.1 Ų18.12%0.02111%0.108CC..Hα-helixtrans-65.9-41.8175.400000113.1P11 I16 L17 N18P11-G14 PolarHBondContact O-N 2.8Å; P11-G14 VanDerWaalsContact O-N 3.15Å; G14-I16 VanDerWaalsContact C-N 3.27Å; G14-I16 PolarHBondContact O-N 3.41Å; G14-L17 PolarHBondContact O-N 3.4Å; G14-N18 VanDerWaalsContact O-CB 3.29Å; G14-N18 WeakPolarHBondContact O-CB 3.45Å; G14-N18 PolarHBondContact O-N 3.07Å; G14-N18 PolarHBondContact O-ND2 3.19Å
15L98.6Very high97.3Very high3 Ų317.2 Ų17.22%0.01610%0.102CC..Hα-helixtrans-60.5-36.9177.8-67176.2000112.3P11 Y12 G19 V20 K21 L57 L71 V112P11-L15 HydrophobicContact CB-CD1 4.31Å; P11-L15 HydrophobicContact CB-CG 4.37Å; P11-L15 HydrophobicContact CG-CD1 4.18Å; P11-L15 WeakPolarHBondContact O-CG 3Å; P11-L15 PolarHBondContact O-N 2.82Å; Y12-L15 HydrophobicContact CD1-CD1 3.97Å; Y12-L15 HydrophobicContact CE1-CD1 4.33Å; Y12-L15 PolarHBondContact O-N 2.76Å; L15-G19 PolarHBondContact O-N 3.37Å; L15-V20 HydrophobicContact CD2-CB 4.2Å; L15-V20 HydrophobicContact CD2-CG1 4.18Å; L15-V20 PolarHBondContact O-N 2.99Å; L15-K21 HydrophobicContact CB-CB 3.92Å; L15-K21 PolarHBondContact O-N 3.47Å; L15-L57 HydrophobicContact CD2-CD1 4.49Å; L15-L57 HydrophobicContact CD2-CD2 4.44Å; L15-L71 HydrophobicContact CD2-CD2 3.55Å; L15-L71 HydrophobicContact CD2-CG 4.07Å; L15-V112 HydrophobicContact CD1-CB 4.24Å; L15-V112 HydrophobicContact CD1-CG1 4.06Å; L15-V112 HydrophobicContact CD1-CG2 4.45Å
16I98.6Very high97.5Very high1 Ų119.2 Ų19.21%0.00511%0.107CC..Hα-helixtrans-69.4-51.9175-68.4168.2000110.4F8 Y12 A13 G14 N18 G19 K21 I41 I87 I124 P127F8-I16 HydrophobicContact CD1-CD1 3.56Å; F8-I16 HydrophobicContact CE1-CD1 3.56Å; F8-I16 HydrophobicContact CG-CD1 4.34Å; F8-I16 HydrophobicContact CZ-CD1 4.36Å; Y12-I16 WeakPolarHBondContact O-CB 3.33Å; Y12-I16 WeakPolarHBondContact O-CD1 3.27Å; Y12-I16 WeakPolarHBondContact O-CG1 3.44Å; Y12-I16 PolarHBondContact O-N 2.75Å; A13-I16 PolarHBondContact O-N 2.81Å; G14-I16 VanDerWaalsContact C-N 3.27Å; G14-I16 PolarHBondContact O-N 3.41Å; I16-N18 PolarHBondContact O-N 3.33Å; I16-G19 PolarHBondContact O-N 3.39Å; I16-K21 HydrophobicContact CD1-CD 4.24Å; I16-K21 HydrophobicContact CG1-CB 3.96Å; I16-K21 HydrophobicContact CG1-CD 3.85Å; I16-K21 HydrophobicContact CG1-CG 3.91Å; I16-I41 HydrophobicContact CB-CD1 4.29Å; I16-I41 HydrophobicContact CG2-CD1 3.41Å; I16-I41 VanDerWaalsContact CG2-CD1 3.41Å; I16-I87 HydrophobicContact CG2-CD1 3.94Å; I16-I87 HydrophobicContact CG2-CG1 4.18Å; I16-I124 HydrophobicContact CB-CD1 4.25Å; I16-I124 HydrophobicContact CD1-CD1 3.9Å; I16-I124 HydrophobicContact CG1-CD1 3.63Å; I16-I124 HydrophobicContact CG2-CD1 3.71Å; I16-P127 WeakPolarHBondContact O-CB 3.43Å
17L98.4Very high97.7Very high6 Ų627 Ų273%0.03114%0.136CC..Hα-helixtrans-66.7-23.5-176-72.6171.8000113.3A13 G14 I41 A84 W129A13-L17 WeakPolarHBondContact O-CG 3.29Å; A13-L17 PolarHBondContact O-N 3.03Å; A13-L17 VanDerWaalsContact O-N 3.1Å; G14-L17 PolarHBondContact O-N 3.4Å; L17-I41 HydrophobicContact CD1-CB 4.47Å; L17-I41 HydrophobicContact CD1-CG2 3.99Å; L17-I41 HydrophobicContact CD2-CB 4.35Å; L17-I41 HydrophobicContact CD2-CD1 3.66Å; L17-I41 HydrophobicContact CD2-CG1 4.49Å; L17-I41 HydrophobicContact CG-CD1 3.92Å; L17-I41 HydrophobicContact CG-CG2 4.25Å; L17-A84 HydrophobicContact CD1-CB 3.77Å; L17-W129 HydrophobicContact CB-CD2 4.03Å; L17-W129 VanDerWaalsContact CB-CE2 3.49Å; L17-W129 HydrophobicContact CB-CH2 4.18Å; L17-W129 HydrophobicContact CB-CZ2 3.58Å; L17-W129 HydrophobicContact CD1-CD2 4.19Å; L17-W129 HydrophobicContact CD1-CE3 3.91Å; L17-W129 HydrophobicContact CD1-CH2 3.91Å; L17-W129 HydrophobicContact CD1-CZ2 4.17Å; L17-W129 HydrophobicContact CD1-CZ3 3.78Å; L17-W129 PolarHBondContact O-NE1 3.28Å
18N98.1Very high97.7Very high47 Ų4735 Ų3525%0.25116%0.163SC..THydrogen-bonded Turntrans-92.95.9172.6-66.4-32.8000113.5G14 I16 V20 L71 G75 W129G14-N18 VanDerWaalsContact O-CB 3.29Å; G14-N18 WeakPolarHBondContact O-CB 3.45Å; G14-N18 PolarHBondContact O-N 3.07Å; G14-N18 PolarHBondContact O-ND2 3.19Å; I16-N18 PolarHBondContact O-N 3.33Å; N18-V20 VanDerWaalsContact C-N 3.29Å; N18-V20 PolarHBondContact O-N 3.13Å; N18-L71 HydrophobicContact CB-CD1 3.76Å; N18-G75 PolarHBondContact ND2-N 2.83Å; N18-W129 PolarHBondContact OD1-NE1 3Å
19G97.7Very high97.7Very high37 Ų3737 Ų3738%0.38118%0.177SC..THydrogen-bonded Turntrans72.614172.600000115.7L15 I16L15-G19 PolarHBondContact O-N 3.37Å; I16-G19 PolarHBondContact O-N 3.39Å
20V98.2Very high97.5Very high33 Ų3337.2 Ų37.220%0.218%0.182CC..SBendtrans-80.8-44.51771790000110.6L15 N18 L57 L61 M63 L71 V112L15-V20 HydrophobicContact CD2-CB 4.2Å; L15-V20 HydrophobicContact CD2-CG1 4.18Å; L15-V20 PolarHBondContact O-N 2.99Å; N18-V20 VanDerWaalsContact C-N 3.29Å; N18-V20 PolarHBondContact O-N 3.13Å; V20-L57 HydrophobicContact CG1-CD2 4.02Å; V20-L61 HydrophobicContact CG1-CD1 4.21Å; V20-M63 HydrophobicContact CG1-CE 3.96Å; V20-M63 HydrophobicContact CG2-CE 4.28Å; V20-L71 HydrophobicContact CG2-CD1 3.83Å; V20-L71 HydrophobicContact CG2-CD2 3.93Å; V20-V112 HydrophobicContact CG1-CG2 4.14Å
21K98.6Very high97.3Very high5 Ų537 Ų372%0.02218%0.181CC..  trans-92.4112.9175.2176.3170.7170.6700109.8Y12 L15 I16 L23 E24 Q110 A111 V112 I124Y12-K21 HydrophobicContact CD1-CD 3.49Å; Y12-K21 VanDerWaalsContact CD1-CD 3.49Å; Y12-K21 HydrophobicContact CE1-CD 4.18Å; Y12-K21 HydrophobicContact CG-CD 4.32Å; L15-K21 HydrophobicContact CB-CB 3.92Å; L15-K21 PolarHBondContact O-N 3.47Å; I16-K21 HydrophobicContact CD1-CD 4.24Å; I16-K21 HydrophobicContact CG1-CB 3.96Å; I16-K21 HydrophobicContact CG1-CD 3.85Å; I16-K21 HydrophobicContact CG1-CG 3.91Å; K21-L23 WeakPolarHBondContact CE-O 3.45Å; K21-L23 PolarHBondContact NZ-O 3.41Å; K21-E24 WeakPolarHBondContact CE-OE2 3.36Å; K21-E24 IonicContact NZ-OE2 3.34Å; K21-Q110 WeakPolarHBondContact CA-O 3.34Å; K21-A111 WeakPolarHBondContact CD-O 3.47Å; K21-A111 PolarHBondContact NZ-O 2.79Å; K21-V112 HydrophobicContact CB-CG2 4.01Å; K21-I124 WeakPolarHBondContact O-CD1 3.45Å
22T98.6Very high97.1Very high56 Ų5638.7 Ų38.734%0.34419%0.193SC..  trans-109.9-5-177.157.60000113.2Q110 I124T22-Q110 PolarHBondContact N-O 2.94Å; T22-Q110 WeakPolarHBondContact OG1-CB 3.33Å; T22-I124 VanDerWaalsContact C-CG1 3.4Å; T22-I124 VanDerWaalsContact O-CG1 3.22Å; T22-I124 WeakPolarHBondContact O-CG1 3.23Å; T22-I124 PolarHBondContact O-N 3.01Å
23L98.6Very high96.6Very high5 Ų544.9 Ų44.93%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-127.4112.5176.6-168.471.2000110.4K21 L107 Q110 A111 L121 P123K21-L23 WeakPolarHBondContact CE-O 3.45Å; K21-L23 PolarHBondContact NZ-O 3.41Å; L23-L107 HydrophobicContact CD2-CB 4.22Å; L23-L107 HydrophobicContact CD2-CD2 3.7Å; L23-Q110 HydrophobicContact CB-CB 3.77Å; L23-Q110 HydrophobicContact CD2-CB 4.49Å; L23-Q110 PolarHBondContact N-O 3.26Å; L23-Q110 VanDerWaalsContact N-O 3.15Å; L23-A111 HydrophobicContact CB-CB 4.33Å; L23-A111 HydrophobicContact CD2-CB 4.42Å; L23-A111 WeakPolarHBondContact O-CA 3.26Å; L23-L121 HydrophobicContact CD1-CB 4.14Å; L23-L121 HydrophobicContact CD2-CB 4.29Å; L23-L121 HydrophobicContact CD2-CD1 4.36Å; L23-L121 HydrophobicContact CD2-CD2 4.4Å; L23-L121 HydrophobicContact CG-CB 4.33Å; L23-P123 HydrophobicContact CD1-CB 4.45Å; L23-P123 HydrophobicContact CD1-CG 4.01Å
24E98.3Very high96.3Very high10 Ų1047 Ų475%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-82.7144.3174.5177.857.9179.100111.3F8 K21 R26 L31 L121 T122 I124F8-E24 HydrophobicContact CE1-CG 4.07Å; F8-E24 WeakPolarHBondContact CE1-OE1 3.21Å; K21-E24 WeakPolarHBondContact CE-OE2 3.36Å; K21-E24 IonicContact NZ-OE2 3.34Å; E24-R26 IonicContact OE1-CZ 2.68Å; E24-R26 IonicContact OE1-NE 2.8Å; E24-R26 PolarHBondContact OE1-NE 3.37Å; E24-R26 IonicContact OE1-NH2 3.2Å; E24-R26 PolarHBondContact OE1-NH2 3.44Å; E24-L31 HydrophobicContact CB-CD1 4.13Å; E24-L31 HydrophobicContact CG-CD1 3.67Å; E24-L121 CarbonylContact O-C 3.56Å; E24-L121 WeakPolarHBondContact O-CA 3.35Å; E24-T122 PolarHBondContact N-O 2.88Å; E24-T122 PolarHBondContact O-N 2.81Å; E24-I124 HydrophobicContact CB-CD1 4.2Å; E24-I124 HydrophobicContact CB-CG2 4.12Å
25T97.5Very high96Very high15 Ų1550.8 Ų50.89%0.09225%0.254CS..EExtended strand (participates in β ladder)trans-128.9136.7-177.671.60000111.9A111 L113 L116 Y120 L121T25-A111 HydrophobicContact CG2-CB 3.81Å; T25-L113 VanDerWaalsContact OG1-CD2 3.26Å; T25-L113 WeakPolarHBondContact OG1-CD2 3.41Å; T25-L116 HydrophobicContact CG2-CD2 3.93Å; T25-Y120 CarbonylContact C-O 3.59Å; T25-Y120 VanDerWaalsContact CA-O 3.27Å; T25-Y120 WeakPolarHBondContact CA-O 3.43Å; T25-L121 HydrophobicContact CG2-CD2 3.76Å
26R96.5Very high95.6Very high58 Ų5859.7 Ų59.722%0.21929%0.293CS..EExtended strand (participates in β ladder)trans-144.8150.9-179.1-66.2-65.8168.8114.4-0.6111.9E24 R28 K119 Y120E24-R26 IonicContact OE1-CZ 2.68Å; E24-R26 IonicContact OE1-NE 2.8Å; E24-R26 PolarHBondContact OE1-NE 3.37Å; E24-R26 IonicContact OE1-NH2 3.2Å; E24-R26 PolarHBondContact OE1-NH2 3.44Å; R26-R28 WeakPolarHBondContact CB-O 3.42Å; R26-R28 PolarHBondContact O-N 3.16Å; R26-K119 CarbonylContact O-C 3.56Å; R26-K119 WeakPolarHBondContact O-CA 3.27Å; R26-Y120 PolarHBondContact N-O 3.08Å; R26-Y120 PolarHBondContact O-N 2.95Å
27W96.1Very high95.2Very high174 Ų17462.3 Ų62.366%0.65931%0.31SS*.SBendtrans-72.4-13.8171.5-67.1110.2000114.1Q118 K119W27-Q118 HydrophobicContact CZ3-CB 4.33Å; W27-K119 HydrophobicContact CD2-CG 4.36Å; W27-K119 HydrophobicContact CE3-CG 4.18Å; W27-K119 HydrophobicContact CH2-CG 4.39Å; W27-K119 HydrophobicContact CZ3-CG 4.2Å
28R95.3Very high95Very high188 Ų18863.9 Ų63.971%0.70932%0.32SS*.SBendtrans-132.2149.5177.9-64-175.2-65.7169.80.1109.5R26 L30 Y120R26-R28 WeakPolarHBondContact CB-O 3.42Å; R26-R28 PolarHBondContact O-N 3.16Å; R28-L30 PolarHBondContact O-N 2.91Å; R28-Y120 VanDerWaalsContact C-CD2 3.5Å
29P95.2Very high94.8Very high50 Ų5061.8 Ų61.833%0.32531%0.309SS..  trans-77.946.3-17732.7-34.3000112.7L31 S32 T92 Y120P29-L31 PolarHBondContact O-N 3.28Å; P29-S32 WeakPolarHBondContact O-CB 3.29Å; P29-S32 PolarHBondContact O-N 3.27Å; P29-S32 VanDerWaalsContact O-N 3.12Å; P29-S32 PolarHBondContact O-OG 3.12Å; P29-T92 HydrophobicContact CB-CG2 4.2Å; P29-Y120 HydrophobicContact CB-CD1 3.58Å; P29-Y120 HydrophobicContact CB-CD2 4.36Å; P29-Y120 HydrophobicContact CB-CE1 3.67Å; P29-Y120 HydrophobicContact CB-CE2 4.48Å; P29-Y120 HydrophobicContact CB-CG 3.92Å; P29-Y120 HydrophobicContact CG-CD1 4.32Å; P29-Y120 HydrophobicContact CG-CE1 3.95Å; P29-Y120 HydrophobicContact CG-CE2 4.35Å
30L91.8Very high94.6Very high63 Ų6360 Ų6033%0.3329%0.291SS..G310 helixtrans-58.6-33.9-174.1-177.368.6000112.7L6 R28 S32L6-L30 HydrophobicContact CD1-CD2 3.59Å; L6-L30 HydrophobicContact CD2-CD2 4.4Å; R28-L30 PolarHBondContact O-N 2.91Å; L30-S32 VanDerWaalsContact C-N 3.33Å
31L93.8Very high94.5Very high2 Ų258.4 Ų58.41%0.0128%0.281CS..G310 helixtrans-80.3-10.4-177.6-69.8173.6000114.1L6 E24 P29 N33 H34 Q35 I39 I89 T122L6-L31 HydrophobicContact CD2-CD2 3.69Å; L6-L31 HydrophobicContact CD2-CG 4.22Å; E24-L31 HydrophobicContact CB-CD1 4.13Å; E24-L31 HydrophobicContact CG-CD1 3.67Å; P29-L31 PolarHBondContact O-N 3.28Å; L31-N33 VanDerWaalsContact C-N 3.27Å; L31-N33 PolarHBondContact O-N 2.85Å; L31-H34 CarbonylContact O-C 3.57Å; L31-H34 WeakPolarHBondContact O-CA 3.35Å; L31-H34 PolarHBondContact O-N 2.95Å; L31-Q35 PolarHBondContact O-N 2.92Å; L31-I39 HydrophobicContact CD2-CD1 3.83Å; L31-I89 HydrophobicContact CB-CG2 4.2Å; L31-I89 HydrophobicContact CD2-CD1 4.14Å; L31-I89 HydrophobicContact CD2-CG1 4.43Å; L31-T122 HydrophobicContact CB-CG2 3.97Å; L31-T122 HydrophobicContact CD1-CG2 3.92Å
32S93.6Very high94.3Very high46 Ų4658.4 Ų58.432%0.32228%0.281SS..G310 helixtrans-58.9-38.1179.559.80000112.6P29 L30 H34 Q35 T92P29-S32 WeakPolarHBondContact O-CB 3.29Å; P29-S32 PolarHBondContact O-N 3.27Å; P29-S32 VanDerWaalsContact O-N 3.12Å; P29-S32 PolarHBondContact O-OG 3.12Å; L30-S32 VanDerWaalsContact C-N 3.33Å; S32-H34 PolarHBondContact O-N 2.79Å; S32-H34 VanDerWaalsContact O-N 3.16Å; S32-Q35 PolarHBondContact O-N 3.45Å; S32-T92 PolarHBondContact N-OG1 3.05Å
33N89.6Confident94.2Very high141 Ų14155.8 Ų55.875%0.75427%0.265SS*.G310 helixtrans-72.2-3.2176.6-66.6-34.3000113.8L31L31-N33 VanDerWaalsContact C-N 3.27Å; L31-N33 PolarHBondContact O-N 2.85Å
34H90.6Very high94.1Very high46 Ų4656.1 Ų56.121%0.21327%0.269CS..G310 helixtrans-11810.6-179.1-59.4-54.9000112.5L31 S32 K36 C37 I39 I89L31-H34 CarbonylContact O-C 3.57Å; L31-H34 WeakPolarHBondContact O-CA 3.35Å; L31-H34 PolarHBondContact O-N 2.95Å; S32-H34 PolarHBondContact O-N 2.79Å; S32-H34 VanDerWaalsContact O-N 3.16Å; H34-K36 PolarHBondContact O-N 3.33Å; H34-C37 VanDerWaalsContact O-CB 3.25Å; H34-C37 WeakPolarHBondContact O-CB 3.31Å; H34-C37 PolarHBondContact O-N 2.98Å; H34-I39 HydrophobicContact CB-CG2 4.05Å; H34-I89 HydrophobicContact CB-CG1 4.47Å; H34-I89 HydrophobicContact CB-CG2 4.32Å; H34-I89 WeakPolarHBondContact O-CB 3.26Å
35Q91.9Very high93.8Very high81 Ų8161.6 Ų61.638%0.37929%0.294SS..THydrogen-bonded Turntrans-54.5134.8175.2-172.8-176.54.300111L31 S32 C37 G90L31-Q35 PolarHBondContact O-N 2.92Å; S32-Q35 PolarHBondContact O-N 3.45Å; Q35-C37 PolarHBondContact O-N 3.42Å; Q35-G90 WeakPolarHBondContact CG-O 3.38Å
36K90.3Very high93.6Very high190 Ų19069 Ų6983%0.82632%0.32SS*.THydrogen-bonded Turntrans6414.7-175.9-58.8168.3-171.3179.10114.5H34 I89H34-K36 PolarHBondContact O-N 3.33Å; K36-I89 PolarHBondContact N-O 2.79Å
37C91.4Very high93.6Very high55 Ų5570.2 Ų70.237%0.37233%0.331SS..  trans-107.3152.1173.1-62.70000111.1H34 Q35 I89H34-C37 VanDerWaalsContact O-CB 3.25Å; H34-C37 WeakPolarHBondContact O-CB 3.31Å; H34-C37 PolarHBondContact O-N 2.98Å; Q35-C37 PolarHBondContact O-N 3.42Å; C37-I89 PolarHBondContact O-N 3.06Å
38T93.2Very high93.5Very high40 Ų4066.2 Ų66.225%0.24532%0.316CS..EExtended strand (participates in β ladder)trans-84.9133.1162.2-54.80000109.2F3 L86 I87 D88 R128F3-T38 HydrophobicContact CD1-CG2 4.14Å; F3-T38 HydrophobicContact CE1-CG2 3.85Å; T38-L86 HydrophobicContact CG2-CB 3.85Å; T38-L86 HydrophobicContact CG2-CD1 4.4Å; T38-L86 HydrophobicContact CG2-CD2 4.4Å; T38-L86 HydrophobicContact CG2-CG 4.45Å; T38-I87 CarbonylContact C-O 3.53Å; T38-I87 WeakPolarHBondContact CA-O 3.25Å; T38-D88 WeakPolarHBondContact CB-OD1 3.45Å; T38-D88 WeakPolarHBondContact CG2-OD1 3.27Å; T38-D88 PolarHBondContact OG1-OD1 3.16Å; T38-R128 VanDerWaalsContact CG2-NH2 3.29Å
39I93.3Very high93.3Very high2 Ų264.9 Ų64.91%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-119.2157.1172.574.2170.3000110.7P4 L6 L31 H34 L86 I87 I89P4-I39 HydrophobicContact CB-CB 4.39Å; P4-I39 HydrophobicContact CB-CG2 3.9Å; P4-I39 HydrophobicContact CG-CG2 4.13Å; P4-I39 CarbonylContact O-C 3.54Å; P4-I39 VanDerWaalsContact O-CA 3.27Å; P4-I39 WeakPolarHBondContact O-CA 3.33Å; P4-I39 WeakPolarHBondContact O-CB 3.35Å; L6-I39 HydrophobicContact CB-CD1 3.94Å; L6-I39 HydrophobicContact CD2-CD1 4.48Å; L31-I39 HydrophobicContact CD2-CD1 3.83Å; H34-I39 HydrophobicContact CB-CG2 4.05Å; I39-L86 CarbonylContact O-C 3.57Å; I39-L86 VanDerWaalsContact O-CA 3.29Å; I39-L86 WeakPolarHBondContact O-CA 3.38Å; I39-I87 HydrophobicContact CD1-CG2 4.2Å; I39-I87 HydrophobicContact CG1-CG2 3.51Å; I39-I87 PolarHBondContact N-O 2.96Å; I39-I87 PolarHBondContact O-N 3.41Å; I39-I89 HydrophobicContact CB-CG1 4.46Å; I39-I89 HydrophobicContact CD1-CD1 3.71Å; I39-I89 HydrophobicContact CD1-CG1 3.97Å; I39-I89 HydrophobicContact CG1-CD1 3.85Å; I39-I89 HydrophobicContact CG1-CG1 3.88Å; I39-I89 HydrophobicContact CG2-CG1 3.87Å
40A94.3Very high93.2Very high0 Ų065.8 Ų65.80%032%0.32CS..EExtended strand (participates in β ladder)trans-84.2144.617100000111.6P4 C5 L6 I83 G85 L86 L144P4-A40 PolarHBondContact O-N 3.36Å; C5-A40 WeakPolarHBondContact CA-O 3.21Å; C5-A40 HydrophobicContact CB-CB 4.01Å; L6-A40 PolarHBondContact N-O 2.79Å; A40-I83 HydrophobicContact CB-CG2 3.88Å; A40-G85 CarbonylContact C-O 3.25Å; A40-G85 WeakPolarHBondContact CA-O 3.22Å; A40-L86 HydrophobicContact CB-CD2 4.02Å; A40-L144 HydrophobicContact CB-CD1 3.68Å
41I95.6Very high93.2Very high0 Ų068 Ų680%033%0.332CS..EExtended strand (participates in β ladder)trans-100.9118174.7-68.2178.2000108.4F8 A13 I16 L17 I83 A84 G85 I87F8-I41 HydrophobicContact CD2-CB 4.39Å; F8-I41 HydrophobicContact CD2-CG1 4.27Å; F8-I41 HydrophobicContact CD2-CG2 3.82Å; F8-I41 HydrophobicContact CE2-CB 4.43Å; F8-I41 HydrophobicContact CE2-CG1 3.91Å; F8-I41 HydrophobicContact CE2-CG2 4.33Å; A13-I41 HydrophobicContact CB-CG2 4.44Å; I16-I41 HydrophobicContact CB-CD1 4.29Å; I16-I41 HydrophobicContact CG2-CD1 3.41Å; I16-I41 VanDerWaalsContact CG2-CD1 3.41Å; L17-I41 HydrophobicContact CD1-CB 4.47Å; L17-I41 HydrophobicContact CD1-CG2 3.99Å; L17-I41 HydrophobicContact CD2-CB 4.35Å; L17-I41 HydrophobicContact CD2-CD1 3.66Å; L17-I41 HydrophobicContact CD2-CG1 4.49Å; L17-I41 HydrophobicContact CG-CD1 3.92Å; L17-I41 HydrophobicContact CG-CG2 4.25Å; I41-I83 WeakPolarHBondContact O-CA 3.47Å; I41-A84 PolarHBondContact O-N 3.36Å; I41-G85 PolarHBondContact N-O 2.92Å; I41-I87 HydrophobicContact CD1-CB 3.77Å; I41-I87 HydrophobicContact CD1-CG2 3.76Å; I41-I87 HydrophobicContact CG1-CB 4.29Å; I41-I87 HydrophobicContact CG1-CG2 3.81Å
42H95.8Very high93.2Very high5 Ų569 Ų692%0.02334%0.341CS..EExtended strand (participates in β ladder)trans-97.3132.7167.7171.3-93.2000110.3L6 S7 F8 V82 R136L6-H42 PolarHBondContact O-N 2.68Å; S7-H42 CarbonylContact C-O 3.57Å; S7-H42 WeakPolarHBondContact CA-O 3.37Å; S7-H42 WeakPolarHBondContact CB-ND1 3.48Å; S7-H42 PolarHBondContact OG-ND1 3.13Å; F8-H42 PolarHBondContact N-O 2.8Å; H42-V82 CarbonylContact C-O 3.57Å; H42-V82 VanDerWaalsContact CA-O 3.31Å; H42-V82 WeakPolarHBondContact CA-O 3.49Å; H42-V82 PolarHBondContact CD2-O 3.34Å; H42-V82 VanDerWaalsContact CD2-O 3.32Å; H42-R136 PolarHBondContact NE2-O 2.92Å
43I96.6Very high93.3Very high0 Ų067.9 Ų67.90%033%0.33CS..EExtended strand (participates in β ladder)trans-89.5113.5175.7-53.8-174.7000108.5Q10 A13 R80 G81 V82 A84Q10-I43 HydrophobicContact CG-CG2 3.86Å; A13-I43 HydrophobicContact CB-CB 4.44Å; A13-I43 HydrophobicContact CB-CG1 3.95Å; A13-I43 HydrophobicContact CB-CG2 4.26Å; I43-R80 HydrophobicContact CG2-CB 4.2Å; I43-R80 HydrophobicContact CG2-CG 3.95Å; I43-G81 WeakPolarHBondContact O-CA 3.31Å; I43-G81 PolarHBondContact O-N 2.98Å; I43-V82 HydrophobicContact CB-CG2 4.31Å; I43-V82 HydrophobicContact CD1-CG2 4.3Å; I43-V82 HydrophobicContact CG1-CG2 4.39Å; I43-V82 PolarHBondContact N-O 3.48Å; I43-A84 HydrophobicContact CD1-CB 3.48Å; I43-A84 VanDerWaalsContact CD1-CB 3.48Å; I43-A84 HydrophobicContact CG1-CB 3.74Å
44A94.8Very high93.7Very high13 Ų1365 Ų6511%0.10731%0.312CS..EExtended strand (participates in β ladder)trans-70.6153.4178.500000111.6S7 F8 R9S7-A44 WeakPolarHBondContact OG-CB 3.36Å; F8-A44 WeakPolarHBondContact O-CB 3.49Å; F8-A44 PolarHBondContact O-N 2.88Å; R9-A44 HydrophobicContact CG-CB 4.11Å
45H93.8Very high93.9Very high124 Ų12469.3 Ų69.357%0.57433%0.332SS*.EExtended strand (participates in β ladder)trans-66.6-37.5174.6-75.5-67000113.5R80H45-R80 WeakPolarHBondContact O-CD 3.02Å; H45-R80 PolarHBondContact O-NH1 3.01Å
46R93.4Very high94.1Very high171 Ų17165.5 Ų65.565%0.64531%0.314SS*.EExtended strand (participates in β ladder)trans-80.7142.6-176.8-67.7-165.7-70.6172.5-4.2111.3R9R9-R46 VanDerWaalsContact CB-O 3.3Å; R9-R46 WeakPolarHBondContact CB-O 3.41Å; R9-R46 WeakPolarHBondContact CD-O 3.49Å; R9-R46 WeakPolarHBondContact CG-O 3.39Å
47D94.6Very high94.5Very high84 Ų8456.4 Ų56.445%0.44928%0.275SS..EExtended strand (participates in β ladder)trans-70.2158.3169.2-66.7-59.6000112.3R9 R80R9-D47 WeakPolarHBondContact CD-O 3.5Å; R9-D47 PolarHBondContact NH1-O 2.91Å; R9-D47 VanDerWaalsContact NH1-O 3.14Å; D47-R80 IonicContact OD1-CZ 3.32Å; D47-R80 IonicContact OD1-NH1 2.78Å; D47-R80 PolarHBondContact OD1-NH1 2.86Å; D47-R80 IonicContact OD1-NH2 3.16Å; D47-R80 PolarHBondContact OD1-NH2 2.84Å; D47-R80 IonicContact OD2-CZ 2.82Å; D47-R80 IonicContact OD2-NH1 3.48Å; D47-R80 PolarHBondContact OD2-NH1 3.32Å; D47-R80 IonicContact OD2-NH2 3.14Å
48W94.6Very high94.8Very high90 Ų9056.6 Ų56.634%0.34127%0.271SS..PPolyproline II helixtrans-60.8149.1159.9-169.5-105.9000110.1Q10 Y12 D50Q10-W48 WeakPolarHBondContact O-CB 3.49Å; Q10-W48 PolarHBondContact O-N 2.97Å; Y12-W48 HydrophobicContact CD2-CB 4.31Å; Y12-W48 AromaticContact CD2-CD2 3.94Å; Y12-W48 HydrophobicContact CD2-CD2 3.94Å; Y12-W48 HydrophobicContact CD2-CE3 4.06Å; Y12-W48 HydrophobicContact CD2-CG 4.02Å; Y12-W48 HydrophobicContact CE2-CB 4.22Å; Y12-W48 AromaticContact CE2-CD1 3.72Å; Y12-W48 AromaticContact CE2-CD2 3.5Å; Y12-W48 HydrophobicContact CE2-CD2 3.5Å; Y12-W48 VanDerWaalsContact CE2-CD2 3.5Å; Y12-W48 AromaticContact CE2-CE2 3.69Å; Y12-W48 HydrophobicContact CE2-CE3 4.03Å; Y12-W48 AromaticContact CE2-CG 3.55Å; Y12-W48 HydrophobicContact CE2-CG 3.55Å; Y12-W48 HydrophobicContact CE2-CZ2 4.35Å; Y12-W48 AromaticContact CE2-NE1 3.81Å; W48-D50 PolarHBondContact NE1-OD1 2.8Å; W48-D50 PolarHBondContact NE1-OD2 2.97Å
49E91.3Very high94.9Very high159 Ų15962.1 Ų62.174%0.74329%0.294SS*.SBendtrans-82.8-20.1-165.1-70.9165.5-155.800113.3R9R9-E49 IonicContact CZ-OE1 3.88Å; R9-E49 IonicContact NH1-OE1 3.02Å; R9-E49 PolarHBondContact NH1-OE1 2.9Å; R9-E49 IonicContact NH2-OE1 3.78Å; R9-E49 PolarHBondContact NH2-OE1 2.98Å
50D92.8Very high95Very high69 Ų6966.4 Ų66.437%0.36931%0.31SS..  trans-124170.9-179.26654.2000113W48 A52 W53W48-D50 PolarHBondContact NE1-OD1 2.8Å; W48-D50 PolarHBondContact NE1-OD2 2.97Å; D50-A52 PolarHBondContact OD1-N 3.01Å; D50-W53 PolarHBondContact O-NE1 2.85Å
51D93Very high95.1Very high109 Ų10969.6 Ų69.658%0.58333%0.327SS*.  trans-113.210.2178.858.7-7.6000113.5W53 Q54D51-W53 PolarHBondContact O-N 3.23Å; D51-Q54 VanDerWaalsContact O-CB 3.3Å; D51-Q54 WeakPolarHBondContact O-CB 3.48Å; D51-Q54 PolarHBondContact O-N 3.28Å
52A92.8Very high95.2Very high25 Ų2572.4 Ų72.421%0.20736%0.356CS..Hα-helixtrans-60-23.8-177.500000113.5D50 Q54 E55D50-A52 PolarHBondContact OD1-N 3.01Å; A52-Q54 PolarHBondContact O-N 3.41Å; A52-E55 PolarHBondContact O-N 2.84Å
53W96.7Very high95.2Very high21 Ų2174.1 Ų74.18%0.0837%0.365CS..Hα-helixtrans-61.4-28.2172.656-92.7000112.7P11 Y12 D50 D51 V56 L57 I68 L72 V112P11-W53 HydrophobicContact CG-CD2 3.59Å; P11-W53 HydrophobicContact CG-CE3 4.01Å; P11-W53 HydrophobicContact CG-CG 3.96Å; P11-W53 HydrophobicContact CG-CH2 4.31Å; P11-W53 HydrophobicContact CG-CZ2 3.93Å; P11-W53 HydrophobicContact CG-CZ3 4.34Å; Y12-W53 HydrophobicContact CE1-CB 4.45Å; D50-W53 PolarHBondContact O-NE1 2.85Å; D51-W53 PolarHBondContact O-N 3.23Å; W53-V56 PolarHBondContact O-N 2.77Å; W53-L57 HydrophobicContact CE3-CD1 3.68Å; W53-L57 HydrophobicContact CE3-CG 4.47Å; W53-L57 HydrophobicContact CZ3-CD1 3.87Å; W53-L57 WeakPolarHBondContact O-CG 3.02Å; W53-L57 PolarHBondContact O-N 3.15Å; W53-I68 HydrophobicContact CZ3-CG2 4.44Å; W53-L72 HydrophobicContact CH2-CD1 3.92Å; W53-L72 HydrophobicContact CH2-CD2 4.12Å; W53-L72 HydrophobicContact CZ3-CD1 4.26Å; W53-L72 HydrophobicContact CZ3-CD2 4.14Å; W53-V112 HydrophobicContact CB-CG1 4.14Å
54Q96.4Very high95.3Very high81 Ų8177.7 Ų77.738%0.37939%0.387SS..Hα-helixtrans-63.9-44.9178.6-68.4-175.818.500111.4D51 A52 V56 L57 I58D51-Q54 VanDerWaalsContact O-CB 3.3Å; D51-Q54 WeakPolarHBondContact O-CB 3.48Å; D51-Q54 PolarHBondContact O-N 3.28Å; A52-Q54 PolarHBondContact O-N 3.41Å; Q54-V56 VanDerWaalsContact C-N 3.27Å; Q54-V56 PolarHBondContact O-N 3.11Å; Q54-L57 PolarHBondContact O-N 2.95Å; Q54-I58 WeakPolarHBondContact O-CG1 3.37Å; Q54-I58 PolarHBondContact O-N 3.44Å
55E95.1Very high95.4Very high136 Ų13682.7 Ų82.764%0.63641%0.411SS*.Hα-helixtrans-60.6-39.4177.5-65.3-177.5174.700111A52 I58 E59A52-E55 PolarHBondContact O-N 2.84Å; E55-I58 PolarHBondContact O-N 2.89Å; E55-E59 VanDerWaalsContact O-CB 3.29Å; E55-E59 WeakPolarHBondContact O-CB 3.32Å; E55-E59 PolarHBondContact O-N 2.83Å
56V97.3Very high95.5Very high1 Ų181.3 Ų81.31%0.00641%0.411CS..Iπ-helixtrans-63.9-44.8175.8-179.20000111.3W53 Q54 I58 R60 L61 V112 T114W53-V56 PolarHBondContact O-N 2.77Å; Q54-V56 VanDerWaalsContact C-N 3.27Å; Q54-V56 PolarHBondContact O-N 3.11Å; V56-I58 PolarHBondContact O-N 3.36Å; V56-R60 HydrophobicContact CG1-CB 4.4Å; V56-R60 WeakPolarHBondContact O-CB 2.89Å; V56-R60 PolarHBondContact O-N 3.43Å; V56-L61 PolarHBondContact O-N 2.99Å; V56-V112 HydrophobicContact CB-CG1 4.2Å; V56-V112 HydrophobicContact CG1-CG1 4.13Å; V56-T114 HydrophobicContact CG2-CG2 3.88Å
57L97.8Very high95.7Very high0 Ų078.1 Ų78.10%040%0.404CS..Iπ-helixtrans-62.8-42178.1-66.2-179.7000112.1L15 V20 W53 Q54 L61 G62 M63 I68 V112L15-L57 HydrophobicContact CD2-CD1 4.49Å; L15-L57 HydrophobicContact CD2-CD2 4.44Å; V20-L57 HydrophobicContact CG1-CD2 4.02Å; W53-L57 HydrophobicContact CE3-CD1 3.68Å; W53-L57 HydrophobicContact CE3-CG 4.47Å; W53-L57 HydrophobicContact CZ3-CD1 3.87Å; W53-L57 WeakPolarHBondContact O-CG 3.02Å; W53-L57 PolarHBondContact O-N 3.15Å; Q54-L57 PolarHBondContact O-N 2.95Å; L57-L61 HydrophobicContact CD2-CD1 3.95Å; L57-L61 CarbonylContact O-C 3.59Å; L57-G62 PolarHBondContact O-N 3.47Å; L57-M63 HydrophobicContact CB-SD 4.37Å; L57-M63 HydrophobicContact CD2-CE 4.26Å; L57-M63 HydrophobicContact CD2-SD 3.99Å; L57-M63 WeakPolarHBondContact O-CB 3.44Å; L57-M63 PolarHBondContact O-N 2.73Å; L57-I68 HydrophobicContact CB-CD1 3.87Å; L57-I68 HydrophobicContact CB-CG1 4.2Å; L57-I68 HydrophobicContact CD1-CD1 4.45Å; L57-I68 HydrophobicContact CD1-CG1 4.21Å; L57-I68 HydrophobicContact CD1-CG2 4.19Å; L57-V112 HydrophobicContact CD2-CG1 3.62Å; L57-V112 HydrophobicContact CG-CG1 3.93Å
58I97.2Very high95.8Very high59 Ų5974.7 Ų74.730%0.30339%0.385SS..Iπ-helixtrans-77.4-61.1-176.5-64.6169000110.6Q54 E55 V56 G62 L65 I68Q54-I58 WeakPolarHBondContact O-CG1 3.37Å; Q54-I58 PolarHBondContact O-N 3.44Å; E55-I58 PolarHBondContact O-N 2.89Å; V56-I58 PolarHBondContact O-N 3.36Å; I58-G62 VanDerWaalsContact O-CA 3.25Å; I58-G62 WeakPolarHBondContact O-CA 3.29Å; I58-G62 PolarHBondContact O-N 3.38Å; I58-G62 VanDerWaalsContact O-N 3.16Å; I58-L65 HydrophobicContact CD1-CD2 4.06Å; I58-I68 HydrophobicContact CD1-CD1 4.16Å; I58-I68 HydrophobicContact CG1-CD1 3.42Å; I58-I68 VanDerWaalsContact CG1-CD1 3.42Å
59E96.6Very high96Very high155 Ų15576 Ų7672%0.72440%0.395SS*.Iπ-helixtrans-80.5-30.9-165.9-59-61.5164.300112.3E55E55-E59 VanDerWaalsContact O-CB 3.29Å; E55-E59 WeakPolarHBondContact O-CB 3.32Å; E55-E59 PolarHBondContact O-N 2.83Å
60R95Very high96.3Very high93 Ų9372.3 Ų72.335%0.35138%0.384SS..Iπ-helixtrans-104.3-39.4-174.2-50.4-169-176.6-173.61.1113.1V56 E108 N109V56-R60 HydrophobicContact CG1-CB 4.4Å; V56-R60 WeakPolarHBondContact O-CB 2.89Å; V56-R60 PolarHBondContact O-N 3.43Å; R60-E108 IonicContact CZ-OE2 2.75Å; R60-E108 IonicContact NH1-OE2 3.8Å; R60-E108 PolarHBondContact NH1-OE2 2.87Å; R60-E108 IonicContact NH2-OE2 3.83Å; R60-E108 PolarHBondContact NH2-OE2 2.85Å; R60-N109 VanDerWaalsContact CB-OD1 3.28Å; R60-N109 WeakPolarHBondContact CB-OD1 3.22Å; R60-N109 WeakPolarHBondContact CD-OD1 3.37Å
61L95.6Very high96.5Very high67 Ų6770.2 Ų70.235%0.35137%0.372SS..THydrogen-bonded Turntrans-94.8-3177.7-59.8-179.7000113.3V20 V56 L57 M63 N109V20-L61 HydrophobicContact CG1-CD1 4.21Å; V56-L61 PolarHBondContact O-N 2.99Å; L57-L61 HydrophobicContact CD2-CD1 3.95Å; L57-L61 CarbonylContact O-C 3.59Å; L61-M63 HydrophobicContact CB-CG 4.37Å; L61-M63 PolarHBondContact O-N 3.27Å; L61-N109 HydrophobicContact CD2-CB 4.26Å
62G97.2Very high96.7Very high59 Ų5967.7 Ų67.761%0.60836%0.358SS*.  trans66.423.5172.900000114.1L57 I58L57-G62 PolarHBondContact O-N 3.47Å; I58-G62 VanDerWaalsContact O-CA 3.25Å; I58-G62 WeakPolarHBondContact O-CA 3.29Å; I58-G62 PolarHBondContact O-N 3.38Å; I58-G62 VanDerWaalsContact O-N 3.16Å
63M97.7Very high97Very high41 Ų4173 Ų7320%0.20238%0.379CS..  trans-77.5133.4-179.4-62.6-167.5-179.400111.3V20 L57 L61 Q67 I68 L71V20-M63 HydrophobicContact CG1-CE 3.96Å; V20-M63 HydrophobicContact CG2-CE 4.28Å; L57-M63 HydrophobicContact CB-SD 4.37Å; L57-M63 HydrophobicContact CD2-CE 4.26Å; L57-M63 HydrophobicContact CD2-SD 3.99Å; L57-M63 WeakPolarHBondContact O-CB 3.44Å; L57-M63 PolarHBondContact O-N 2.73Å; L61-M63 HydrophobicContact CB-CG 4.37Å; L61-M63 PolarHBondContact O-N 3.27Å; M63-Q67 HydrophobicContact CB-CB 4.44Å; M63-I68 HydrophobicContact CB-CD1 4.11Å; M63-I68 HydrophobicContact CB-CG1 3.73Å; M63-I68 HydrophobicContact SD-CG1 4.34Å; M63-L71 HydrophobicContact CE-CD2 4.25Å; M63-L71 HydrophobicContact SD-CD2 3.96Å
64T97.6Very high97.1Very high75 Ų7576 Ų7646%0.4639%0.393SS..  trans-72.4156.5169.163.50000111T66 Q67 I68T64-T66 PolarHBondContact O-N 2.78Å; T64-Q67 WeakPolarHBondContact O-CB 3.33Å; T64-Q67 PolarHBondContact O-N 2.72Å; T64-Q67 WeakPolarHBondContact OG1-CG 2.99Å; T64-Q67 PolarHBondContact OG1-N 3.21Å; T64-Q67 PolarHBondContact OG1-OE1 3.11Å; T64-I68 WeakPolarHBondContact O-CG1 3.46Å; T64-I68 PolarHBondContact O-N 3.14Å
65L96.2Very high97.1Very high117 Ų11772.2 Ų72.261%0.61338%0.376SS*.Hα-helixtrans-55.2-37.4176.5-63.9179.4000112.7I58 I68 Q69I58-L65 HydrophobicContact CD1-CD2 4.06Å; L65-I68 PolarHBondContact O-N 2.87Å; L65-Q69 WeakPolarHBondContact O-CB 3.36Å; L65-Q69 VanDerWaalsContact O-CG 3.27Å; L65-Q69 WeakPolarHBondContact O-CG 3.35Å; L65-Q69 PolarHBondContact O-N 3.27Å
66T96.9Very high97.3Very high95 Ų9568.8 Ų68.858%0.58336%0.36SS*.Hα-helixtrans-64.6-43.2176.4-51.10000111.6T64 I68 Q69 T70T64-T66 PolarHBondContact O-N 2.78Å; T66-I68 VanDerWaalsContact C-N 3.35Å; T66-Q69 PolarHBondContact O-N 3.38Å; T66-T70 PolarHBondContact O-N 3.32Å; T66-T70 PolarHBondContact O-OG1 2.7Å; T66-T70 VanDerWaalsContact O-OG1 3.13Å
67Q97.3Very high97.3Very high105 Ų10572.9 Ų72.949%0.49138%0.378SS..Hα-helixtrans-63.3-41.8176-74.4164.7-44.100111.5M63 T64 T70 L71M63-Q67 HydrophobicContact CB-CB 4.44Å; T64-Q67 WeakPolarHBondContact O-CB 3.33Å; T64-Q67 PolarHBondContact O-N 2.72Å; T64-Q67 WeakPolarHBondContact OG1-CG 2.99Å; T64-Q67 PolarHBondContact OG1-N 3.21Å; T64-Q67 PolarHBondContact OG1-OE1 3.11Å; Q67-T70 PolarHBondContact O-N 3.05Å; Q67-L71 VanDerWaalsContact O-CB 3.28Å; Q67-L71 WeakPolarHBondContact O-CB 3.39Å; Q67-L71 PolarHBondContact O-N 3.34Å
68I97.2Very high97.3Very high12 Ų1275.5 Ų75.56%0.06239%0.388CS..Hα-helixtrans-62.8-45.3176.1-64.2172000110.3W53 L57 I58 M63 T64 L65 T66 T70 L71 L72W53-I68 HydrophobicContact CZ3-CG2 4.44Å; L57-I68 HydrophobicContact CB-CD1 3.87Å; L57-I68 HydrophobicContact CB-CG1 4.2Å; L57-I68 HydrophobicContact CD1-CD1 4.45Å; L57-I68 HydrophobicContact CD1-CG1 4.21Å; L57-I68 HydrophobicContact CD1-CG2 4.19Å; I58-I68 HydrophobicContact CD1-CD1 4.16Å; I58-I68 HydrophobicContact CG1-CD1 3.42Å; I58-I68 VanDerWaalsContact CG1-CD1 3.42Å; M63-I68 HydrophobicContact CB-CD1 4.11Å; M63-I68 HydrophobicContact CB-CG1 3.73Å; M63-I68 HydrophobicContact SD-CG1 4.34Å; T64-I68 WeakPolarHBondContact O-CG1 3.46Å; T64-I68 PolarHBondContact O-N 3.14Å; L65-I68 PolarHBondContact O-N 2.87Å; T66-I68 VanDerWaalsContact C-N 3.35Å; I68-T70 PolarHBondContact O-N 3.4Å; I68-L71 PolarHBondContact O-N 2.82Å; I68-L72 HydrophobicContact CG2-CD1 3.88Å; I68-L72 HydrophobicContact CG2-CG 4.22Å; I68-L72 WeakPolarHBondContact O-CB 3.47Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.29Å; I68-L72 PolarHBondContact O-N 3.44Å
69Q97.6Very high97.3Very high117 Ų11774 Ų7455%0.54739%0.388SS..Hα-helixtrans-59.1-46.1176.7-75.9173.3-8.600112.1L65 T66 L72 Q73L65-Q69 WeakPolarHBondContact O-CB 3.36Å; L65-Q69 VanDerWaalsContact O-CG 3.27Å; L65-Q69 WeakPolarHBondContact O-CG 3.35Å; L65-Q69 PolarHBondContact O-N 3.27Å; T66-Q69 PolarHBondContact O-N 3.38Å; Q69-L72 PolarHBondContact O-N 3.14Å; Q69-Q73 WeakPolarHBondContact O-CB 2.95Å; Q69-Q73 VanDerWaalsContact O-CG 3.26Å; Q69-Q73 WeakPolarHBondContact O-CG 3.28Å; Q69-Q73 PolarHBondContact O-N 3.37Å
70T98Very high97.3Very high82 Ų8270.1 Ų70.150%0.50337%0.367SS..Hα-helixtrans-62.5-43175.7-59.10000111.7T66 Q67 I68 L72 Q73 E74T66-T70 PolarHBondContact O-N 3.32Å; T66-T70 PolarHBondContact O-OG1 2.7Å; T66-T70 VanDerWaalsContact O-OG1 3.13Å; Q67-T70 PolarHBondContact O-N 3.05Å; I68-T70 PolarHBondContact O-N 3.4Å; T70-L72 PolarHBondContact O-N 2.96Å; T70-Q73 PolarHBondContact O-N 3.01Å; T70-E74 WeakPolarHBondContact O-CB 3.08Å; T70-E74 PolarHBondContact O-N 2.87Å
71L97.8Very high97.3Very high24 Ų2466 Ų6613%0.12635%0.353CS..Hα-helixtrans-61.9-42.4178.1176.862.4000112.2L15 N18 V20 M63 Q67 I68 G75L15-L71 HydrophobicContact CD2-CD2 3.55Å; L15-L71 HydrophobicContact CD2-CG 4.07Å; N18-L71 HydrophobicContact CB-CD1 3.76Å; V20-L71 HydrophobicContact CG2-CD1 3.83Å; V20-L71 HydrophobicContact CG2-CD2 3.93Å; M63-L71 HydrophobicContact CE-CD2 4.25Å; M63-L71 HydrophobicContact SD-CD2 3.96Å; Q67-L71 VanDerWaalsContact O-CB 3.28Å; Q67-L71 WeakPolarHBondContact O-CB 3.39Å; Q67-L71 PolarHBondContact O-N 3.34Å; I68-L71 PolarHBondContact O-N 2.82Å; L71-G75 PolarHBondContact O-N 3.35Å
72L97.9Very high97.2Very high56 Ų5663.4 Ų63.429%0.29334%0.34SS..Hα-helixtrans-69.1-40.5177.5-67.4176.1000111.8P11 W53 I68 Q69 T70 G75 E76P11-L72 HydrophobicContact CB-CD2 3.65Å; W53-L72 HydrophobicContact CH2-CD1 3.92Å; W53-L72 HydrophobicContact CH2-CD2 4.12Å; W53-L72 HydrophobicContact CZ3-CD1 4.26Å; W53-L72 HydrophobicContact CZ3-CD2 4.14Å; I68-L72 HydrophobicContact CG2-CD1 3.88Å; I68-L72 HydrophobicContact CG2-CG 4.22Å; I68-L72 WeakPolarHBondContact O-CB 3.47Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.29Å; I68-L72 PolarHBondContact O-N 3.44Å; Q69-L72 PolarHBondContact O-N 3.14Å; T70-L72 PolarHBondContact O-N 2.96Å; L72-G75 PolarHBondContact O-N 3.18Å; L72-E76 WeakPolarHBondContact O-CG 3.3Å; L72-E76 PolarHBondContact O-N 2.82Å; L72-E76 VanDerWaalsContact O-N 3.12Å
73Q98.3Very high97.1Very high137 Ų13760.6 Ų60.664%0.6431%0.311SS*.Hα-helixtrans-61.1-45.6174.2-74.7171.43.100111.4Q69 T70 G75 E76 K77Q69-Q73 WeakPolarHBondContact O-CB 2.95Å; Q69-Q73 VanDerWaalsContact O-CG 3.26Å; Q69-Q73 WeakPolarHBondContact O-CG 3.28Å; Q69-Q73 PolarHBondContact O-N 3.37Å; T70-Q73 PolarHBondContact O-N 3.01Å; Q73-G75 VanDerWaalsContact C-N 3.3Å; Q73-G75 PolarHBondContact O-N 2.83Å; Q73-E76 PolarHBondContact O-N 2.76Å; Q73-E76 VanDerWaalsContact O-N 3.13Å; Q73-K77 PolarHBondContact O-N 2.84Å
74E98Very high97.1Very high83 Ų8358.7 Ų58.739%0.38830%0.302SS..Hα-helixtrans-63.4-38.4176.1-172.362.1-157.300111.4T70 E76 K77T70-E74 WeakPolarHBondContact O-CB 3.08Å; T70-E74 PolarHBondContact O-N 2.87Å; E74-E76 PolarHBondContact O-N 2.61Å; E74-K77 VanDerWaalsContact O-CG 3.31Å; E74-K77 WeakPolarHBondContact O-CG 3.44Å; E74-K77 PolarHBondContact O-N 2.75Å; E74-K77 VanDerWaalsContact OE1-CD 3.25Å; E74-K77 WeakPolarHBondContact OE1-CD 3.15Å; E74-K77 WeakPolarHBondContact OE1-CE 3.03Å; E74-K77 IonicContact OE1-NZ 3.63Å; E74-K77 PolarHBondContact OE1-NZ 2.9Å
75G97.9Very high97Very high2 Ų255.1 Ų55.12%0.02128%0.28CS..Hα-helixtrans-63.3-22.3174.700000114.5Q10 N18 L71 L72 Q73Q10-G75 PolarHBondContact NE2-O 3.46Å; N18-G75 PolarHBondContact ND2-N 2.83Å; L71-G75 PolarHBondContact O-N 3.35Å; L72-G75 PolarHBondContact O-N 3.18Å; Q73-G75 VanDerWaalsContact C-N 3.3Å; Q73-G75 PolarHBondContact O-N 2.83Å
76E98.2Very high97Very high64 Ų6449.7 Ų49.730%0.29925%0.252SS..THydrogen-bonded Turntrans-105.54.4-178.7-67.5-75.5-162.900113.4Q10 L72 Q73 E74 Y78 G79 R80Q10-E76 WeakPolarHBondContact CG-OE1 3.44Å; Q10-E76 PolarHBondContact NE2-OE2 3.16Å; L72-E76 WeakPolarHBondContact O-CG 3.3Å; L72-E76 PolarHBondContact O-N 2.82Å; L72-E76 VanDerWaalsContact O-N 3.12Å; Q73-E76 PolarHBondContact O-N 2.76Å; Q73-E76 VanDerWaalsContact O-N 3.13Å; E74-E76 PolarHBondContact O-N 2.61Å; E76-Y78 PolarHBondContact O-N 3.02Å; E76-G79 PolarHBondContact O-N 3.06Å; E76-R80 IonicContact OE1-CZ 3.51Å; E76-R80 IonicContact OE1-NE 2.7Å; E76-R80 PolarHBondContact OE1-NE 2.93Å; E76-R80 VanDerWaalsContact OE1-NE 3.14Å; E76-R80 IonicContact OE1-NH2 2.8Å; E76-R80 PolarHBondContact OE1-NH2 2.93Å; E76-R80 IonicContact OE2-NE 2.7Å; E76-R80 PolarHBondContact OE2-NE 2.85Å
77K98.1Very high97Very high87 Ų8745.3 Ų45.338%0.37822%0.224SC..THydrogen-bonded Turntrans-56.9-24.6-173.472.2-177.3170.2-169.60115Q73 E74 W129Q73-K77 PolarHBondContact O-N 2.84Å; E74-K77 VanDerWaalsContact O-CG 3.31Å; E74-K77 WeakPolarHBondContact O-CG 3.44Å; E74-K77 PolarHBondContact O-N 2.75Å; E74-K77 VanDerWaalsContact OE1-CD 3.25Å; E74-K77 WeakPolarHBondContact OE1-CD 3.15Å; E74-K77 WeakPolarHBondContact OE1-CE 3.03Å; E74-K77 IonicContact OE1-NZ 3.63Å; E74-K77 PolarHBondContact OE1-NZ 2.9Å; K77-W129 HydrophobicContact CD-CZ3 4.49Å; K77-W129 VanDerWaalsContact CE-CE2 3.42Å; K77-W129 HydrophobicContact CG-CH2 4.2Å; K77-W129 HydrophobicContact CG-CZ3 4.09Å
78Y97.6Very high96.9Very high55 Ų5542 Ų4222%0.21621%0.21CC..THydrogen-bonded Turntrans-104.23.9178.4-74.9-11000113.8E76 A84 W129 L130 L131 P133E76-Y78 PolarHBondContact O-N 3.02Å; Y78-A84 HydrophobicContact CD2-CB 4.11Å; Y78-W129 AromaticContact CD2-CE3 3.55Å; Y78-W129 HydrophobicContact CD2-CE3 3.55Å; Y78-W129 AromaticContact CD2-CZ3 3.73Å; Y78-W129 HydrophobicContact CD2-CZ3 3.73Å; Y78-W129 AromaticContact CE2-CE3 3.66Å; Y78-W129 HydrophobicContact CE2-CE3 3.66Å; Y78-W129 HydrophobicContact CE2-CZ3 4.29Å; Y78-W129 HydrophobicContact CG-CE3 4.41Å; Y78-W129 HydrophobicContact CG-CZ3 4.24Å; Y78-L130 WeakPolarHBondContact CE2-O 3.32Å; Y78-L130 PolarHBondContact OH-O 3.25Å; Y78-L131 PolarHBondContact OH-O 2.91Å; Y78-P133 HydrophobicContact CD1-CB 4.43Å; Y78-P133 HydrophobicContact CD1-CG 3.94Å; Y78-P133 HydrophobicContact CD2-CB 3.91Å; Y78-P133 HydrophobicContact CD2-CG 4.29Å; Y78-P133 HydrophobicContact CG-CB 3.8Å; Y78-P133 HydrophobicContact CG-CG 3.81Å
79G96.9Very high96.9Very high29 Ų2941.7 Ų41.730%0.29921%0.209SC..  trans65-151.6-174.300000112.7E76E76-G79 PolarHBondContact O-N 3.06Å
80R96.4Very high96.9Very high72 Ų7237.2 Ų37.227%0.27219%0.194SC..SBendtrans-131.3160.5-171.7-53.6-175.6-178.3-170-2.6111.6I43 H45 D47 E76I43-R80 HydrophobicContact CG2-CB 4.2Å; I43-R80 HydrophobicContact CG2-CG 3.95Å; H45-R80 WeakPolarHBondContact O-CD 3.02Å; H45-R80 PolarHBondContact O-NH1 3.01Å; D47-R80 IonicContact OD1-CZ 3.32Å; D47-R80 IonicContact OD1-NH1 2.78Å; D47-R80 PolarHBondContact OD1-NH1 2.86Å; D47-R80 IonicContact OD1-NH2 3.16Å; D47-R80 PolarHBondContact OD1-NH2 2.84Å; D47-R80 IonicContact OD2-CZ 2.82Å; D47-R80 IonicContact OD2-NH1 3.48Å; D47-R80 PolarHBondContact OD2-NH1 3.32Å; D47-R80 IonicContact OD2-NH2 3.14Å; E76-R80 IonicContact OE1-CZ 3.51Å; E76-R80 IonicContact OE1-NE 2.7Å; E76-R80 PolarHBondContact OE1-NE 2.93Å; E76-R80 VanDerWaalsContact OE1-NE 3.14Å; E76-R80 IonicContact OE1-NH2 2.8Å; E76-R80 PolarHBondContact OE1-NH2 2.93Å; E76-R80 IonicContact OE2-NE 2.7Å; E76-R80 PolarHBondContact OE2-NE 2.85Å
81G94.5Very high96.9Very high7 Ų738.2 Ų38.27%0.07219%0.193CC..SBendtrans72.637.5-172.500000111.5I43 R136I43-G81 WeakPolarHBondContact O-CA 3.31Å; I43-G81 PolarHBondContact O-N 2.98Å; G81-R136 CarbonylContact C-O 3.38Å; G81-R136 VanDerWaalsContact C-O 3.25Å; G81-R136 CarbonylContact O-C 3.53Å; G81-R136 PolarHBondContact O-N 3.36Å
82V94.8Very high96.9Very high12 Ų1238 Ų387%0.07319%0.193CC..EExtended strand (participates in β ladder)trans-138.8148.7-173.7-630000110.4H42 I43 A84 P133 I134H42-V82 CarbonylContact C-O 3.57Å; H42-V82 VanDerWaalsContact CA-O 3.31Å; H42-V82 WeakPolarHBondContact CA-O 3.49Å; H42-V82 PolarHBondContact CD2-O 3.34Å; H42-V82 VanDerWaalsContact CD2-O 3.32Å; I43-V82 HydrophobicContact CB-CG2 4.31Å; I43-V82 HydrophobicContact CD1-CG2 4.3Å; I43-V82 HydrophobicContact CG1-CG2 4.39Å; I43-V82 PolarHBondContact N-O 3.48Å; V82-A84 HydrophobicContact CG2-CB 4.3Å; V82-P133 HydrophobicContact CB-CB 3.91Å; V82-P133 HydrophobicContact CG1-CB 4.07Å; V82-P133 HydrophobicContact CG2-CB 4.12Å; V82-I134 CarbonylContact C-O 3.38Å; V82-I134 VanDerWaalsContact CA-O 3.27Å; V82-I134 WeakPolarHBondContact CA-O 3.39Å
83I94.7Very high96.8Very high1 Ų140.1 Ų40.11%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-81.5121.6159.4-59.6140.8000106.5A40 I41 L130 P133 I134 R136 L144A40-I83 HydrophobicContact CB-CG2 3.88Å; I41-I83 WeakPolarHBondContact O-CA 3.47Å; I83-L130 HydrophobicContact CG2-CD1 4.02Å; I83-P133 WeakPolarHBondContact O-CA 3.38Å; I83-I134 HydrophobicContact CB-CB 4.2Å; I83-I134 HydrophobicContact CD1-CB 4.24Å; I83-I134 HydrophobicContact CD1-CG2 4.08Å; I83-I134 PolarHBondContact N-O 3.24Å; I83-I134 PolarHBondContact O-N 3.46Å; I83-R136 HydrophobicContact CD1-CB 4.02Å; I83-R136 HydrophobicContact CD1-CG 4.23Å; I83-R136 HydrophobicContact CG1-CB 4.35Å; I83-L144 HydrophobicContact CD1-CD1 3.5Å; I83-L144 VanDerWaalsContact CD1-CD1 3.5Å; I83-L144 HydrophobicContact CD1-CD2 3.56Å; I83-L144 HydrophobicContact CD1-CG 4.17Å; I83-L144 HydrophobicContact CG1-CD1 3.99Å; I83-L144 HydrophobicContact CG2-CD1 4.24Å
84A96.4Very high96.8Very high0 Ų038.6 Ų38.60%020%0.197CC..EExtended strand (participates in β ladder)trans-114.9-17.8-169.200000113.6L17 I41 I43 Y78 V82 W129 L130L17-A84 HydrophobicContact CD1-CB 3.77Å; I41-A84 PolarHBondContact O-N 3.36Å; I43-A84 HydrophobicContact CD1-CB 3.48Å; I43-A84 VanDerWaalsContact CD1-CB 3.48Å; I43-A84 HydrophobicContact CG1-CB 3.74Å; Y78-A84 HydrophobicContact CD2-CB 4.11Å; V82-A84 HydrophobicContact CG2-CB 4.3Å; A84-W129 HydrophobicContact CB-CE3 4.22Å; A84-W129 HydrophobicContact CB-CZ3 3.97Å; A84-W129 WeakPolarHBondContact O-CA 3.15Å; A84-L130 PolarHBondContact O-N 3.45Å
85G95.9Very high96.7Very high0 Ų035.1 Ų35.10%018%0.181CC..EExtended strand (participates in β ladder)trans-175-173.7-176.600000114.7A40 I41 R128A40-G85 CarbonylContact C-O 3.25Å; A40-G85 WeakPolarHBondContact CA-O 3.22Å; I41-G85 PolarHBondContact N-O 2.92Å; G85-R128 CarbonylContact C-O 3.56Å; G85-R128 WeakPolarHBondContact CA-O 3.42Å
86L95.6Very high96.5Very high3 Ų338.3 Ų38.32%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-127.7149.6-178.3-60177000110F3 T38 I39 A40 P127 R128 L130 I153F3-L86 HydrophobicContact CD1-CD2 4.13Å; F3-L86 HydrophobicContact CE1-CD1 4.46Å; F3-L86 HydrophobicContact CE1-CD2 4.38Å; F3-L86 HydrophobicContact CG-CD2 4.47Å; T38-L86 HydrophobicContact CG2-CB 3.85Å; T38-L86 HydrophobicContact CG2-CD1 4.4Å; T38-L86 HydrophobicContact CG2-CD2 4.4Å; T38-L86 HydrophobicContact CG2-CG 4.45Å; I39-L86 CarbonylContact O-C 3.57Å; I39-L86 VanDerWaalsContact O-CA 3.29Å; I39-L86 WeakPolarHBondContact O-CA 3.38Å; A40-L86 HydrophobicContact CB-CD2 4.02Å; L86-P127 WeakPolarHBondContact O-CA 3.34Å; L86-R128 PolarHBondContact N-O 3.14Å; L86-R128 PolarHBondContact O-N 3.39Å; L86-L130 HydrophobicContact CD1-CD2 4.49Å; L86-L130 HydrophobicContact CG-CD2 4.2Å; L86-I153 HydrophobicContact CD1-CD1 3.84Å; L86-I153 HydrophobicContact CD1-CG1 3.91Å; L86-I153 HydrophobicContact CD1-CG2 4.28Å
87I97.1Very high96.1Very high3 Ų344.6 Ų44.62%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-145.9143.2178.1-168.472.4000110.3I16 T38 I39 I41 I89 I124 S125 P127I16-I87 HydrophobicContact CG2-CD1 3.94Å; I16-I87 HydrophobicContact CG2-CG1 4.18Å; T38-I87 CarbonylContact C-O 3.53Å; T38-I87 WeakPolarHBondContact CA-O 3.25Å; I39-I87 HydrophobicContact CD1-CG2 4.2Å; I39-I87 HydrophobicContact CG1-CG2 3.51Å; I39-I87 PolarHBondContact N-O 2.96Å; I39-I87 PolarHBondContact O-N 3.41Å; I41-I87 HydrophobicContact CD1-CB 3.77Å; I41-I87 HydrophobicContact CD1-CG2 3.76Å; I41-I87 HydrophobicContact CG1-CB 4.29Å; I41-I87 HydrophobicContact CG1-CG2 3.81Å; I87-I89 HydrophobicContact CG2-CD1 3.97Å; I87-I124 HydrophobicContact CD1-CB 4.13Å; I87-I124 HydrophobicContact CG1-CB 3.71Å; I87-I124 HydrophobicContact CG1-CG2 4.2Å; I87-S125 WeakPolarHBondContact CD1-O 3.45Å; I87-P127 HydrophobicContact CD1-CB 3.7Å; I87-P127 HydrophobicContact CD1-CG 4.38Å
88D96.8Very high95.8Very high36 Ų3646.6 Ų46.619%0.19325%0.251CS..EExtended strand (participates in β ladder)trans-91.2136.5175.6-62.5-14.8000110T38 I124 S125 N126 R128T38-D88 WeakPolarHBondContact CB-OD1 3.45Å; T38-D88 WeakPolarHBondContact CG2-OD1 3.27Å; T38-D88 PolarHBondContact OG1-OD1 3.16Å; D88-I124 WeakPolarHBondContact O-CA 3.45Å; D88-S125 WeakPolarHBondContact CB-O 3.24Å; D88-S125 PolarHBondContact N-O 3.29Å; D88-S125 PolarHBondContact O-N 2.81Å; D88-N126 HydrophobicContact CB-CB 4.3Å; D88-N126 VanDerWaalsContact OD2-CB 3.24Å; D88-N126 WeakPolarHBondContact OD2-CB 3.37Å; D88-N126 PolarHBondContact OD2-ND2 2.83Å; D88-R128 IonicContact OD1-CZ 3.13Å; D88-R128 IonicContact OD1-NH2 2.7Å; D88-R128 PolarHBondContact OD1-NH2 3.02Å; D88-R128 IonicContact OD2-NH2 2.67Å
89I97.3Very high95.6Very high6 Ų646.2 Ų46.23%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-104.3122.4-172.7-58.4-55000111L31 H34 K36 C37 I39 I87 T122 I124L31-I89 HydrophobicContact CB-CG2 4.2Å; L31-I89 HydrophobicContact CD2-CD1 4.14Å; L31-I89 HydrophobicContact CD2-CG1 4.43Å; H34-I89 HydrophobicContact CB-CG1 4.47Å; H34-I89 HydrophobicContact CB-CG2 4.32Å; H34-I89 WeakPolarHBondContact O-CB 3.26Å; K36-I89 PolarHBondContact N-O 2.79Å; C37-I89 PolarHBondContact O-N 3.06Å; I39-I89 HydrophobicContact CB-CG1 4.46Å; I39-I89 HydrophobicContact CD1-CD1 3.71Å; I39-I89 HydrophobicContact CD1-CG1 3.97Å; I39-I89 HydrophobicContact CG1-CD1 3.85Å; I39-I89 HydrophobicContact CG1-CG1 3.88Å; I39-I89 HydrophobicContact CG2-CG1 3.87Å; I87-I89 HydrophobicContact CG2-CD1 3.97Å; I89-T122 HydrophobicContact CG2-CG2 3.71Å; I89-I124 HydrophobicContact CD1-CG2 3.7Å
90G97.2Very high95.6Very high23 Ų2348.6 Ų48.624%0.23726%0.261CS..  trans-81.9-162.9173.400000113.6Q35 P123Q35-G90 WeakPolarHBondContact CG-O 3.38Å; G90-P123 WeakPolarHBondContact CA-O 3.38Å; G90-P123 PolarHBondContact N-O 3.18Å
91E97.4Very high95.5Very high103 Ų10348.8 Ų48.848%0.48128%0.278SS..  trans-73.1136.4177.1-172.9174.6-16400111.7L93 P123E91-L93 HydrophobicContact CG-CD2 4.13Å; E91-L93 HydrophobicContact CG-CG 4.08Å; E91-P123 WeakPolarHBondContact O-CD 3.48Å
92T97.8Very high95.6Very high20 Ų2055 Ų5512%0.12331%0.309CS..  trans-97.6119175-59.50000110.3P29 S32 Y120 L121 T122P29-T92 HydrophobicContact CB-CG2 4.2Å; S32-T92 PolarHBondContact N-OG1 3.05Å; T92-Y120 HydrophobicContact CG2-CD1 4.28Å; T92-Y120 HydrophobicContact CG2-CG 4.49Å; T92-L121 WeakPolarHBondContact CA-O 3.27Å; T92-T122 WeakPolarHBondContact CB-OG1 3.34Å; T92-T122 WeakPolarHBondContact CG2-OG1 3.27Å; T92-T122 WeakPolarHBondContact OG1-CG2 3.29Å; T92-T122 PolarHBondContact OG1-OG1 2.93Å
93L96.7Very high95.6Very high99 Ų9958.2 Ų58.252%0.51832%0.324SS..EExtended strand (participates in β ladder)trans-124.7149.4177.4-62.4173.9000110.3E91 Y120 L121E91-L93 HydrophobicContact CG-CD2 4.13Å; E91-L93 HydrophobicContact CG-CG 4.08Å; L93-Y120 CarbonylContact O-C 3.54Å; L93-Y120 WeakPolarHBondContact O-CA 3.13Å; L93-L121 PolarHBondContact N-O 3.18Å; L93-L121 PolarHBondContact O-N 3.48Å
94Q97.4Very high95.7Very high106 Ų10660.6 Ų60.650%0.49534%0.338SS..EExtended strand (participates in β ladder)trans-70.6139.9169.8-167.41738.300109.4P96 Y120Q94-P96 WeakPolarHBondContact O-CD 3.39Å; Q94-Y120 HydrophobicContact CB-CD1 4.08Å; Q94-Y120 HydrophobicContact CB-CE1 3.97Å; Q94-Y120 HydrophobicContact CG-CE1 4.33Å
95C95.8Very high95.7Very high10 Ų1063.6 Ų63.67%0.06836%0.356CS..PPolyproline II helixtrans-55.1121.9177-173.10000109.7L116 K119 L121C95-L116 WeakPolarHBondContact CB-O 3.36Å; C95-L116 PolarHBondContact SG-O 2.94Å; C95-L116 VanDerWaalsContact SG-O 3.41Å; C95-K119 VanDerWaalsContact CB-O 3.25Å; C95-K119 WeakPolarHBondContact CB-O 3.25Å; C95-K119 PolarHBondContact N-O 2.82Å; C95-L121 HydrophobicContact CB-CD1 3.87Å; C95-L121 HydrophobicContact CB-CD2 4.23Å; C95-L121 HydrophobicContact CB-CG 3.98Å
96P93.1Very high95.7Very high68 Ų6868.2 Ų68.244%0.44238%0.378SS..PPolyproline II helixtrans-61144.3-178.3-23.333.3000112.3Q94 T98 L99Q94-P96 WeakPolarHBondContact O-CD 3.39Å; P96-T98 VanDerWaalsContact C-N 3.32Å; P96-L99 HydrophobicContact CB-CD2 3.99Å; P96-L99 HydrophobicContact CB-CG 4.07Å; P96-L99 HydrophobicContact CG-CD2 4Å; P96-L99 HydrophobicContact CG-CG 4.46Å
97E90.2Very high95.8Very high197 Ų19769.8 Ų69.892%0.92139%0.386SS*.SBendtrans-75.1-23.5179-63.1-175.9173.100112.7
98T92.9Very high95.9Very high129 Ų12970.3 Ų70.379%0.79139%0.389SS*.SBendtrans-116.861.3-172.259.60000111.9P96P96-T98 VanDerWaalsContact C-N 3.32Å
99L93.4Very high95.9Very high46 Ų4669.7 Ų69.724%0.24139%0.385CS..  trans-89.8142.4173.5-65.6169000110.8P96 E103 V104 L107P96-L99 HydrophobicContact CB-CD2 3.99Å; P96-L99 HydrophobicContact CB-CG 4.07Å; P96-L99 HydrophobicContact CG-CD2 4Å; P96-L99 HydrophobicContact CG-CG 4.46Å; L99-E103 HydrophobicContact CB-CB 4.34Å; L99-E103 HydrophobicContact CD2-CB 4.1Å; L99-V104 HydrophobicContact CB-CG2 3.58Å; L99-V104 HydrophobicContact CD1-CG2 4.04Å; L99-V104 HydrophobicContact CG-CG2 4.49Å; L99-L107 HydrophobicContact CD1-CD1 3.64Å; L99-L107 HydrophobicContact CD2-CD1 4.16Å
100T96.3Very high96Very high80 Ų8072.2 Ų72.249%0.49140%0.397SS..  trans-69.2162.1166.463.80000110.7D102 E103 V104T100-D102 VanDerWaalsContact C-N 3.28Å; T100-D102 PolarHBondContact O-N 3.02Å; T100-E103 WeakPolarHBondContact CB-OE2 3.2Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.23Å; T100-E103 PolarHBondContact N-OE2 3.3Å; T100-E103 PolarHBondContact O-N 3.35Å; T100-E103 VanDerWaalsContact OG1-CD 3.24Å; T100-E103 VanDerWaalsContact OG1-CG 3.22Å; T100-E103 WeakPolarHBondContact OG1-CG 3.5Å; T100-E103 PolarHBondContact OG1-N 2.98Å; T100-E103 PolarHBondContact OG1-OE2 3Å; T100-V104 WeakPolarHBondContact O-CG2 3.36Å; T100-V104 PolarHBondContact O-N 3.31Å
101A94.6Very high96Very high76 Ų7671.1 Ų71.163%0.62839%0.386SS*.Hα-helixtrans-58.4-40.5179.400000112.4V104 V105A101-V104 PolarHBondContact O-N 2.9Å; A101-V105 WeakPolarHBondContact O-CG2 3.49Å; A101-V105 PolarHBondContact O-N 2.85Å
102D95.6Very high96.1Very high136 Ų13666.2 Ų66.273%0.72736%0.363SS*.Hα-helixtrans-67.8-40.4-179.6-64.5-18.2000111.6T100 V105 E106T100-D102 VanDerWaalsContact C-N 3.28Å; T100-D102 PolarHBondContact O-N 3.02Å; D102-V105 PolarHBondContact O-N 2.62Å; D102-E106 WeakPolarHBondContact O-CB 3.48Å; D102-E106 PolarHBondContact O-N 2.93Å
103E95.9Very high96Very high81 Ų8165.6 Ų65.638%0.37936%0.359SS..Hα-helixtrans-65.5-39.3175.8-70.7166.3138.500112.2L99 T100 E106 L107L99-E103 HydrophobicContact CB-CB 4.34Å; L99-E103 HydrophobicContact CD2-CB 4.1Å; T100-E103 WeakPolarHBondContact CB-OE2 3.2Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.23Å; T100-E103 PolarHBondContact N-OE2 3.3Å; T100-E103 PolarHBondContact O-N 3.35Å; T100-E103 VanDerWaalsContact OG1-CD 3.24Å; T100-E103 VanDerWaalsContact OG1-CG 3.22Å; T100-E103 WeakPolarHBondContact OG1-CG 3.5Å; T100-E103 PolarHBondContact OG1-N 2.98Å; T100-E103 PolarHBondContact OG1-OE2 3Å; E103-E106 PolarHBondContact O-N 2.81Å; E103-L107 VanDerWaalsContact O-CG 3.29Å; E103-L107 WeakPolarHBondContact O-CG 3.14Å; E103-L107 PolarHBondContact O-N 3.28Å
104V95.8Very high96Very high50 Ų5062.4 Ų62.430%0.30334%0.343SS..Hα-helixtrans-60.4-49.4174.61720000110.1L99 T100 A101 E106 L107 E108L99-V104 HydrophobicContact CB-CG2 3.58Å; L99-V104 HydrophobicContact CD1-CG2 4.04Å; L99-V104 HydrophobicContact CG-CG2 4.49Å; T100-V104 WeakPolarHBondContact O-CG2 3.36Å; T100-V104 PolarHBondContact O-N 3.31Å; A101-V104 PolarHBondContact O-N 2.9Å; V104-E106 VanDerWaalsContact C-N 3.31Å; V104-E106 PolarHBondContact O-N 3.25Å; V104-L107 PolarHBondContact O-N 3.1Å; V104-E108 HydrophobicContact CG1-CG 4.19Å; V104-E108 WeakPolarHBondContact O-CB 3.35Å; V104-E108 VanDerWaalsContact O-CG 3.26Å; V104-E108 WeakPolarHBondContact O-CG 3.33Å; V104-E108 PolarHBondContact O-N 2.88Å
105V96.3Very high95.9Very high63 Ų6362.7 Ų62.738%0.38235%0.348SS..Hα-helixtrans-59.1-45.2179.71700000110.6A101 D102 E108 N109A101-V105 WeakPolarHBondContact O-CG2 3.49Å; A101-V105 PolarHBondContact O-N 2.85Å; D102-V105 PolarHBondContact O-N 2.62Å; V105-E108 PolarHBondContact O-N 3.33Å; V105-N109 WeakPolarHBondContact O-CB 3.3Å; V105-N109 PolarHBondContact O-N 2.79Å; V105-N109 PolarHBondContact O-ND2 2.83Å; V105-N109 PolarHBondContact O-OD1 3.4Å; V105-N109 VanDerWaalsContact O-OD1 3.13Å
106E97.1Very high95.9Very high98 Ų9862.7 Ų62.746%0.45835%0.347SS..Hα-helixtrans-61.1-47.2179-17856.1-151.200112.2D102 E103 V104 E108 N109 Q110D102-E106 WeakPolarHBondContact O-CB 3.48Å; D102-E106 PolarHBondContact O-N 2.93Å; E103-E106 PolarHBondContact O-N 2.81Å; V104-E106 VanDerWaalsContact C-N 3.31Å; V104-E106 PolarHBondContact O-N 3.25Å; E106-E108 PolarHBondContact O-N 2.88Å; E106-N109 WeakPolarHBondContact O-CB 3.44Å; E106-N109 PolarHBondContact O-N 3.21Å; E106-Q110 WeakPolarHBondContact O-CG 3.34Å; E106-Q110 PolarHBondContact O-N 3.32Å; E106-Q110 PolarHBondContact OE1-NE2 3.15Å
107L97.9Very high95.9Very high35 Ų3566.5 Ų66.518%0.18336%0.359CS..Hα-helixtrans-64.8-40.1178.1-67.9171.8000112L23 L99 E103 V104 N109 Q110 A111 L116 L121L23-L107 HydrophobicContact CD2-CB 4.22Å; L23-L107 HydrophobicContact CD2-CD2 3.7Å; L99-L107 HydrophobicContact CD1-CD1 3.64Å; L99-L107 HydrophobicContact CD2-CD1 4.16Å; E103-L107 VanDerWaalsContact O-CG 3.29Å; E103-L107 WeakPolarHBondContact O-CG 3.14Å; E103-L107 PolarHBondContact O-N 3.28Å; V104-L107 PolarHBondContact O-N 3.1Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-Q110 PolarHBondContact O-N 2.94Å; L107-A111 VanDerWaalsContact O-CB 3.23Å; L107-A111 WeakPolarHBondContact O-CB 3.36Å; L107-A111 PolarHBondContact O-N 3.32Å; L107-L116 HydrophobicContact CB-CD1 3.74Å; L107-L121 HydrophobicContact CD1-CD1 4.14Å; L107-L121 HydrophobicContact CD2-CD1 4.43Å
108E97.8Very high96.1Very high15 Ų1563.9 Ų63.97%0.0735%0.347CS..Hα-helixtrans-65.6-36.5176.2-72.5-174.8154.500112R60 V104 V105 E106 A111 V112 L113 T114 N115 L116R60-E108 IonicContact CZ-OE2 2.75Å; R60-E108 IonicContact NH1-OE2 3.8Å; R60-E108 PolarHBondContact NH1-OE2 2.87Å; R60-E108 IonicContact NH2-OE2 3.83Å; R60-E108 PolarHBondContact NH2-OE2 2.85Å; V104-E108 HydrophobicContact CG1-CG 4.19Å; V104-E108 WeakPolarHBondContact O-CB 3.35Å; V104-E108 VanDerWaalsContact O-CG 3.26Å; V104-E108 WeakPolarHBondContact O-CG 3.33Å; V104-E108 PolarHBondContact O-N 2.88Å; V105-E108 PolarHBondContact O-N 3.33Å; E106-E108 PolarHBondContact O-N 2.88Å; E108-A111 PolarHBondContact O-N 3.28Å; E108-V112 WeakPolarHBondContact O-CA 3.06Å; E108-V112 PolarHBondContact O-N 3.04Å; E108-L113 WeakPolarHBondContact CA-O 3.49Å; E108-L113 WeakPolarHBondContact CB-O 3.21Å; E108-L113 WeakPolarHBondContact CG-O 3.41Å; E108-L113 PolarHBondContact O-N 2.93Å; E108-L113 VanDerWaalsContact O-N 3.11Å; E108-T114 VanDerWaalsContact OE1-CA 3.29Å; E108-T114 WeakPolarHBondContact OE1-CA 3.45Å; E108-N115 PolarHBondContact OE1-N 3.32Å; E108-L116 HydrophobicContact CG-CD1 4.05Å; E108-L116 HydrophobicContact CG-CG 3.94Å
109N98.2Very high96.3Very high23 Ų2358.7 Ų58.712%0.12331%0.314CS..Hα-helixtrans-64.6-49.2174.8-68.5-8000111R60 L61 V105 E106 L107 A111 V112R60-N109 VanDerWaalsContact CB-OD1 3.28Å; R60-N109 WeakPolarHBondContact CB-OD1 3.22Å; R60-N109 WeakPolarHBondContact CD-OD1 3.37Å; L61-N109 HydrophobicContact CD2-CB 4.26Å; V105-N109 WeakPolarHBondContact O-CB 3.3Å; V105-N109 PolarHBondContact O-N 2.79Å; V105-N109 PolarHBondContact O-ND2 2.83Å; V105-N109 PolarHBondContact O-OD1 3.4Å; V105-N109 VanDerWaalsContact O-OD1 3.13Å; E106-N109 WeakPolarHBondContact O-CB 3.44Å; E106-N109 PolarHBondContact O-N 3.21Å; L107-N109 VanDerWaalsContact C-N 3.33Å; N109-A111 VanDerWaalsContact C-N 3.26Å; N109-A111 PolarHBondContact O-N 3.2Å; N109-V112 PolarHBondContact O-N 2.7Å; N109-V112 VanDerWaalsContact O-N 3.14Å
110Q98.4Very high96.5Very high59 Ų5959.4 Ų59.428%0.27631%0.314SS..Hα-helixtrans-62.5-34.4176.8-68.4176.920.700112.5K21 T22 L23 E106 L107K21-Q110 WeakPolarHBondContact CA-O 3.34Å; T22-Q110 PolarHBondContact N-O 2.94Å; T22-Q110 WeakPolarHBondContact OG1-CB 3.33Å; L23-Q110 HydrophobicContact CB-CB 3.77Å; L23-Q110 HydrophobicContact CD2-CB 4.49Å; L23-Q110 PolarHBondContact N-O 3.26Å; L23-Q110 VanDerWaalsContact N-O 3.15Å; E106-Q110 WeakPolarHBondContact O-CG 3.34Å; E106-Q110 PolarHBondContact O-N 3.32Å; E106-Q110 PolarHBondContact OE1-NE2 3.15Å; L107-Q110 PolarHBondContact O-N 2.94Å
111A98.2Very high96.6Very high0 Ų056.3 Ų56.30%029%0.294CS..Hα-helixtrans-82.2-15177.800000113.5K21 L23 T25 L107 E108 N109 L113 L116K21-A111 WeakPolarHBondContact CD-O 3.47Å; K21-A111 PolarHBondContact NZ-O 2.79Å; L23-A111 HydrophobicContact CB-CB 4.33Å; L23-A111 HydrophobicContact CD2-CB 4.42Å; L23-A111 WeakPolarHBondContact O-CA 3.26Å; T25-A111 HydrophobicContact CG2-CB 3.81Å; L107-A111 VanDerWaalsContact O-CB 3.23Å; L107-A111 WeakPolarHBondContact O-CB 3.36Å; L107-A111 PolarHBondContact O-N 3.32Å; E108-A111 PolarHBondContact O-N 3.28Å; N109-A111 VanDerWaalsContact C-N 3.26Å; N109-A111 PolarHBondContact O-N 3.2Å; A111-L113 HydrophobicContact CB-CB 4.19Å; A111-L113 PolarHBondContact O-N 2.83Å; A111-L116 HydrophobicContact CB-CD1 4.17Å; A111-L116 HydrophobicContact CB-CD2 4.19Å
112V98.3Very high96.8Very high0 Ų052.8 Ų52.80%027%0.265CS..THydrogen-bonded Turntrans47.738.3-166.7-159.70000111.2Y12 L15 V20 K21 W53 V56 L57 E108 N109Y12-V112 HydrophobicContact CE1-CB 4.44Å; Y12-V112 WeakPolarHBondContact CE1-O 3.41Å; Y12-V112 PolarHBondContact OH-O 2.67Å; L15-V112 HydrophobicContact CD1-CB 4.24Å; L15-V112 HydrophobicContact CD1-CG1 4.06Å; L15-V112 HydrophobicContact CD1-CG2 4.45Å; V20-V112 HydrophobicContact CG1-CG2 4.14Å; K21-V112 HydrophobicContact CB-CG2 4.01Å; W53-V112 HydrophobicContact CB-CG1 4.14Å; V56-V112 HydrophobicContact CB-CG1 4.2Å; V56-V112 HydrophobicContact CG1-CG1 4.13Å; L57-V112 HydrophobicContact CD2-CG1 3.62Å; L57-V112 HydrophobicContact CG-CG1 3.93Å; E108-V112 WeakPolarHBondContact O-CA 3.06Å; E108-V112 PolarHBondContact O-N 3.04Å; N109-V112 PolarHBondContact O-N 2.7Å; N109-V112 VanDerWaalsContact O-N 3.14Å
113L97.3Very high97Very high7 Ų749.6 Ų49.64%0.03725%0.251CS..  trans-154.5133.1-173.117967.5000109.7Y12 T25 E108 A111 L116 K119Y12-L113 VanDerWaalsContact OH-CD1 3.31Å; Y12-L113 WeakPolarHBondContact OH-CD1 3.47Å; T25-L113 VanDerWaalsContact OG1-CD2 3.26Å; T25-L113 WeakPolarHBondContact OG1-CD2 3.41Å; E108-L113 WeakPolarHBondContact CA-O 3.49Å; E108-L113 WeakPolarHBondContact CB-O 3.21Å; E108-L113 WeakPolarHBondContact CG-O 3.41Å; E108-L113 PolarHBondContact O-N 2.93Å; E108-L113 VanDerWaalsContact O-N 3.11Å; A111-L113 HydrophobicContact CB-CB 4.19Å; A111-L113 PolarHBondContact O-N 2.83Å; L113-L116 HydrophobicContact CB-CD2 4.32Å; L113-L116 HydrophobicContact CD2-CD2 4.2Å; L113-L116 HydrophobicContact CG-CD2 4.2Å; L113-L116 WeakPolarHBondContact O-CD2 3.31Å; L113-K119 VanDerWaalsContact CD2-NZ 3.33Å
114T95.9Very high97.1Very high31 Ų3146.3 Ų46.319%0.1924%0.236CC..SBendtrans-88.9167.5176.4590000112.3V56 E108V56-T114 HydrophobicContact CG2-CG2 3.88Å; E108-T114 VanDerWaalsContact OE1-CA 3.29Å; E108-T114 WeakPolarHBondContact OE1-CA 3.45Å
115N94.5Very high97.2Very high113 Ų11347.1 Ų47.160%0.60424%0.244SC*.  trans5865.8175.6-58.2-53.5000112E108 Q117 K119E108-N115 PolarHBondContact OE1-N 3.32Å; N115-Q117 VanDerWaalsContact C-N 3.28Å; N115-Q117 PolarHBondContact O-N 3.14Å; N115-K119 PolarHBondContact O-NZ 2.82Å
116L95.6Very high97.2Very high9 Ų947.5 Ų47.55%0.04724%0.244CC..  trans-82.6-2.5-178-57.7-171.9000114.4T25 C95 L107 E108 A111 L113 Q118 K119 L121T25-L116 HydrophobicContact CG2-CD2 3.93Å; C95-L116 WeakPolarHBondContact CB-O 3.36Å; C95-L116 PolarHBondContact SG-O 2.94Å; C95-L116 VanDerWaalsContact SG-O 3.41Å; L107-L116 HydrophobicContact CB-CD1 3.74Å; E108-L116 HydrophobicContact CG-CD1 4.05Å; E108-L116 HydrophobicContact CG-CG 3.94Å; A111-L116 HydrophobicContact CB-CD1 4.17Å; A111-L116 HydrophobicContact CB-CD2 4.19Å; L113-L116 HydrophobicContact CB-CD2 4.32Å; L113-L116 HydrophobicContact CD2-CD2 4.2Å; L113-L116 HydrophobicContact CG-CD2 4.2Å; L113-L116 WeakPolarHBondContact O-CD2 3.31Å; L116-Q118 PolarHBondContact O-N 3.45Å; L116-K119 WeakPolarHBondContact O-CB 3.29Å; L116-K119 PolarHBondContact O-N 3.31Å; L116-K119 VanDerWaalsContact O-N 3.13Å; L116-L121 HydrophobicContact CB-CD2 4.29Å; L116-L121 HydrophobicContact CD1-CD2 4.22Å
117Q93.5Very high97.2Very high148 Ų14844.3 Ų44.369%0.69223%0.232SC*.THydrogen-bonded Turntrans-53.4137.6-177.7-68.2164.3-900111.1N115 K119N115-Q117 VanDerWaalsContact C-N 3.28Å; N115-Q117 PolarHBondContact O-N 3.14Å; Q117-K119 PolarHBondContact O-N 3.32Å
118Q94.6Very high97.1Very high143 Ų14345.5 Ų45.567%0.66823%0.234SC*.THydrogen-bonded Turntrans63.7-4.3-178.8-52.7178.2-24.800116.2W27 L116W27-Q118 HydrophobicContact CZ3-CB 4.33Å; L116-Q118 PolarHBondContact O-N 3.45Å
119K97.5Very high97.1Very high20 Ų2046.4 Ų46.49%0.08724%0.236CC..PPolyproline II helixtrans-79.2154.9174.7-61.5-178.4-177.1167.60110.6R26 W27 C95 L113 N115 L116 Q117R26-K119 CarbonylContact O-C 3.56Å; R26-K119 WeakPolarHBondContact O-CA 3.27Å; W27-K119 HydrophobicContact CD2-CG 4.36Å; W27-K119 HydrophobicContact CE3-CG 4.18Å; W27-K119 HydrophobicContact CH2-CG 4.39Å; W27-K119 HydrophobicContact CZ3-CG 4.2Å; C95-K119 VanDerWaalsContact CB-O 3.25Å; C95-K119 WeakPolarHBondContact CB-O 3.25Å; C95-K119 PolarHBondContact N-O 2.82Å; L113-K119 VanDerWaalsContact CD2-NZ 3.33Å; N115-K119 PolarHBondContact O-NZ 2.82Å; L116-K119 WeakPolarHBondContact O-CB 3.29Å; L116-K119 PolarHBondContact O-N 3.31Å; L116-K119 VanDerWaalsContact O-N 3.13Å; Q117-K119 PolarHBondContact O-N 3.32Å
120Y98.1Very high97Very high61 Ų6145.4 Ų45.424%0.23923%0.231CC..EExtended strand (participates in β ladder)trans-87.8129167.2-65.6-89.9000109T25 R26 R28 P29 T92 L93 Q94T25-Y120 CarbonylContact C-O 3.59Å; T25-Y120 VanDerWaalsContact CA-O 3.27Å; T25-Y120 WeakPolarHBondContact CA-O 3.43Å; R26-Y120 PolarHBondContact N-O 3.08Å; R26-Y120 PolarHBondContact O-N 2.95Å; R28-Y120 VanDerWaalsContact C-CD2 3.5Å; P29-Y120 HydrophobicContact CB-CD1 3.58Å; P29-Y120 HydrophobicContact CB-CD2 4.36Å; P29-Y120 HydrophobicContact CB-CE1 3.67Å; P29-Y120 HydrophobicContact CB-CE2 4.48Å; P29-Y120 HydrophobicContact CB-CG 3.92Å; P29-Y120 HydrophobicContact CG-CD1 4.32Å; P29-Y120 HydrophobicContact CG-CE1 3.95Å; P29-Y120 HydrophobicContact CG-CE2 4.35Å; T92-Y120 HydrophobicContact CG2-CD1 4.28Å; T92-Y120 HydrophobicContact CG2-CG 4.49Å; L93-Y120 CarbonylContact O-C 3.54Å; L93-Y120 WeakPolarHBondContact O-CA 3.13Å; Q94-Y120 HydrophobicContact CB-CD1 4.08Å; Q94-Y120 HydrophobicContact CB-CE1 3.97Å; Q94-Y120 HydrophobicContact CG-CE1 4.33Å
121L98.4Very high96.7Very high14 Ų1447.1 Ų47.17%0.07324%0.242CC..EExtended strand (participates in β ladder)trans-104133.9-177.7-48.7-178.2000108.3L23 E24 T25 T92 L93 C95 L107 L116L23-L121 HydrophobicContact CD1-CB 4.14Å; L23-L121 HydrophobicContact CD2-CB 4.29Å; L23-L121 HydrophobicContact CD2-CD1 4.36Å; L23-L121 HydrophobicContact CD2-CD2 4.4Å; L23-L121 HydrophobicContact CG-CB 4.33Å; E24-L121 CarbonylContact O-C 3.56Å; E24-L121 WeakPolarHBondContact O-CA 3.35Å; T25-L121 HydrophobicContact CG2-CD2 3.76Å; T92-L121 WeakPolarHBondContact CA-O 3.27Å; L93-L121 PolarHBondContact N-O 3.18Å; L93-L121 PolarHBondContact O-N 3.48Å; C95-L121 HydrophobicContact CB-CD1 3.87Å; C95-L121 HydrophobicContact CB-CD2 4.23Å; C95-L121 HydrophobicContact CB-CG 3.98Å; L107-L121 HydrophobicContact CD1-CD1 4.14Å; L107-L121 HydrophobicContact CD2-CD1 4.43Å; L116-L121 HydrophobicContact CB-CD2 4.29Å; L116-L121 HydrophobicContact CD1-CD2 4.22Å
122T98.5Very high96.5Very high3 Ų353.1 Ų53.12%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-136.3110.8178.9-54.70000109.3E24 L31 I89 T92 I124E24-T122 PolarHBondContact N-O 2.88Å; E24-T122 PolarHBondContact O-N 2.81Å; L31-T122 HydrophobicContact CB-CG2 3.97Å; L31-T122 HydrophobicContact CD1-CG2 3.92Å; I89-T122 HydrophobicContact CG2-CG2 3.71Å; T92-T122 WeakPolarHBondContact CB-OG1 3.34Å; T92-T122 WeakPolarHBondContact CG2-OG1 3.27Å; T92-T122 WeakPolarHBondContact OG1-CG2 3.29Å; T92-T122 PolarHBondContact OG1-OG1 2.93Å; T122-I124 PolarHBondContact O-N 3.06Å
123P98.4Very high96.3Very high68 Ų6855.1 Ų55.144%0.44228%0.283SS..EExtended strand (participates in β ladder)trans-59.8136171.8-22.735.1000109.6L23 G90 E91L23-P123 HydrophobicContact CD1-CB 4.45Å; L23-P123 HydrophobicContact CD1-CG 4.01Å; G90-P123 WeakPolarHBondContact CA-O 3.38Å; G90-P123 PolarHBondContact N-O 3.18Å; E91-P123 WeakPolarHBondContact O-CD 3.48Å
124I98.3Very high96.1Very high13 Ų1355.1 Ų55.17%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-127.5139.3-179.750.1171000109I16 K21 T22 E24 I87 D88 I89 T122I16-I124 HydrophobicContact CB-CD1 4.25Å; I16-I124 HydrophobicContact CD1-CD1 3.9Å; I16-I124 HydrophobicContact CG1-CD1 3.63Å; I16-I124 HydrophobicContact CG2-CD1 3.71Å; K21-I124 WeakPolarHBondContact O-CD1 3.45Å; T22-I124 VanDerWaalsContact C-CG1 3.4Å; T22-I124 VanDerWaalsContact O-CG1 3.22Å; T22-I124 WeakPolarHBondContact O-CG1 3.23Å; T22-I124 PolarHBondContact O-N 3.01Å; E24-I124 HydrophobicContact CB-CD1 4.2Å; E24-I124 HydrophobicContact CB-CG2 4.12Å; I87-I124 HydrophobicContact CD1-CB 4.13Å; I87-I124 HydrophobicContact CG1-CB 3.71Å; I87-I124 HydrophobicContact CG1-CG2 4.2Å; D88-I124 WeakPolarHBondContact O-CA 3.45Å; I89-I124 HydrophobicContact CD1-CG2 3.7Å; T122-I124 PolarHBondContact O-N 3.06Å
125S97.6Very high95.9Very high67 Ų6758.7 Ų58.747%0.46931%0.307SS..EExtended strand (participates in β ladder)trans-144.4168.2-172.7670000111.9I87 D88I87-S125 WeakPolarHBondContact CD1-O 3.45Å; D88-S125 WeakPolarHBondContact CB-O 3.24Å; D88-S125 PolarHBondContact N-O 3.29Å; D88-S125 PolarHBondContact O-N 2.81Å
126N96.9Very high95.5Very high71 Ų7158.6 Ų58.638%0.3830%0.298SS..EExtended strand (participates in β ladder)trans54.250.8177.9-16416.6000114D88 R128D88-N126 HydrophobicContact CB-CB 4.3Å; D88-N126 VanDerWaalsContact OD2-CB 3.24Å; D88-N126 WeakPolarHBondContact OD2-CB 3.37Å; D88-N126 PolarHBondContact OD2-ND2 2.83Å; N126-R128 PolarHBondContact ND2-NH1 2.97Å; N126-R128 PolarHBondContact O-N 3.26Å; N126-R128 PolarHBondContact O-NE 2.88Å
127P97.4Very high94.4Very high31 Ų3166.9 Ų66.920%0.20133%0.333CS..EExtended strand (participates in β ladder)trans-63.8131.3175.727.8-33.4000109.8I16 L86 I87I16-P127 WeakPolarHBondContact O-CB 3.43Å; L86-P127 WeakPolarHBondContact O-CA 3.34Å; I87-P127 HydrophobicContact CD1-CB 3.7Å; I87-P127 HydrophobicContact CD1-CG 4.38Å
128R96.3Very high93.1Very high59 Ų5963.6 Ų63.622%0.22332%0.321CS..EExtended strand (participates in β ladder)trans-134.6120178.1-66.3159.1-66.4-148.7-10.8108.8T38 G85 L86 D88 N126 P154T38-R128 VanDerWaalsContact CG2-NH2 3.29Å; G85-R128 CarbonylContact C-O 3.56Å; G85-R128 WeakPolarHBondContact CA-O 3.42Å; L86-R128 PolarHBondContact N-O 3.14Å; L86-R128 PolarHBondContact O-N 3.39Å; D88-R128 IonicContact OD1-CZ 3.13Å; D88-R128 IonicContact OD1-NH2 2.7Å; D88-R128 PolarHBondContact OD1-NH2 3.02Å; D88-R128 IonicContact OD2-NH2 2.67Å; N126-R128 PolarHBondContact ND2-NH1 2.97Å; N126-R128 PolarHBondContact O-N 3.26Å; N126-R128 PolarHBondContact O-NE 2.88Å; R128-P154 HydrophobicContact CB-CG 4.36Å
129W97.2Very high91.3Very high34 Ų3459.7 Ų59.713%0.12931%0.308CS..EExtended strand (participates in β ladder)trans-63.2142.6162.7-69.592.6000109.4L17 N18 K77 Y78 A84 P154L17-W129 HydrophobicContact CB-CD2 4.03Å; L17-W129 VanDerWaalsContact CB-CE2 3.49Å; L17-W129 HydrophobicContact CB-CH2 4.18Å; L17-W129 HydrophobicContact CB-CZ2 3.58Å; L17-W129 HydrophobicContact CD1-CD2 4.19Å; L17-W129 HydrophobicContact CD1-CE3 3.91Å; L17-W129 HydrophobicContact CD1-CH2 3.91Å; L17-W129 HydrophobicContact CD1-CZ2 4.17Å; L17-W129 HydrophobicContact CD1-CZ3 3.78Å; L17-W129 PolarHBondContact O-NE1 3.28Å; N18-W129 PolarHBondContact OD1-NE1 3Å; K77-W129 HydrophobicContact CD-CZ3 4.49Å; K77-W129 VanDerWaalsContact CE-CE2 3.42Å; K77-W129 HydrophobicContact CG-CH2 4.2Å; K77-W129 HydrophobicContact CG-CZ3 4.09Å; Y78-W129 AromaticContact CD2-CE3 3.55Å; Y78-W129 HydrophobicContact CD2-CE3 3.55Å; Y78-W129 AromaticContact CD2-CZ3 3.73Å; Y78-W129 HydrophobicContact CD2-CZ3 3.73Å; Y78-W129 AromaticContact CE2-CE3 3.66Å; Y78-W129 HydrophobicContact CE2-CE3 3.66Å; Y78-W129 HydrophobicContact CE2-CZ3 4.29Å; Y78-W129 HydrophobicContact CG-CE3 4.41Å; Y78-W129 HydrophobicContact CG-CZ3 4.24Å; A84-W129 HydrophobicContact CB-CE3 4.22Å; A84-W129 HydrophobicContact CB-CZ3 3.97Å; A84-W129 WeakPolarHBondContact O-CA 3.15Å; W129-P154 VanDerWaalsContact O-CD 3.32Å; W129-P154 WeakPolarHBondContact O-CD 3.44Å; W129-P154 WeakPolarHBondContact O-CG 3.43Å
130L95.3Very high89.2Confident3 Ų364.1 Ų64.12%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-66.5162.7163.6-65.7-175.9000109.6Y78 I83 A84 L86 E132 I134 I149 F152Y78-L130 WeakPolarHBondContact CE2-O 3.32Å; Y78-L130 PolarHBondContact OH-O 3.25Å; I83-L130 HydrophobicContact CG2-CD1 4.02Å; A84-L130 PolarHBondContact O-N 3.45Å; L86-L130 HydrophobicContact CD1-CD2 4.49Å; L86-L130 HydrophobicContact CG-CD2 4.2Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 VanDerWaalsContact CB-O 3.31Å; L130-E132 WeakPolarHBondContact CB-O 3.18Å; L130-I134 HydrophobicContact CD1-CD1 3.85Å; L130-I134 HydrophobicContact CD1-CG1 4.21Å; L130-I149 HydrophobicContact CD2-CG2 4.3Å; L130-F152 CarbonylContact C-O 3.49Å; L130-F152 WeakPolarHBondContact CA-O 3.34Å; L130-F152 HydrophobicContact CB-CB 4.23Å; L130-F152 HydrophobicContact CD1-CB 4.25Å; L130-F152 HydrophobicContact CD2-CB 4.13Å; L130-F152 HydrophobicContact CG-CB 4.42Å
131L93.9Very high87Confident94 Ų9464.4 Ų64.449%0.49234%0.343SS..EExtended strand (participates in β ladder)trans-65.8-38.6172.8-65.1175.9000111.5Y78 F152 P154Y78-L131 PolarHBondContact OH-O 2.91Å; L131-F152 PolarHBondContact N-O 2.97Å; L131-P154 HydrophobicContact CD2-CB 4.1Å
132E93.1Very high85.4Confident126 Ų12668.5 Ų68.559%0.58936%0.358SS*.EExtended strand (participates in β ladder)trans-139.2149.2174.7-61.1-175.8171.700109.7L130 F152L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 VanDerWaalsContact CB-O 3.31Å; L130-E132 WeakPolarHBondContact CB-O 3.18Å; E132-F152 HydrophobicContact CB-CD1 3.98Å; E132-F152 HydrophobicContact CB-CE1 4.12Å
133P94.5Very high83.6Confident43 Ų4371.1 Ų71.128%0.27938%0.38SS..EExtended strand (participates in β ladder)trans-74.814817729.8-32.4000111.8Y78 V82 I83 P135Y78-P133 HydrophobicContact CD1-CB 4.43Å; Y78-P133 HydrophobicContact CD1-CG 3.94Å; Y78-P133 HydrophobicContact CD2-CB 3.91Å; Y78-P133 HydrophobicContact CD2-CG 4.29Å; Y78-P133 HydrophobicContact CG-CB 3.8Å; Y78-P133 HydrophobicContact CG-CG 3.81Å; V82-P133 HydrophobicContact CB-CB 3.91Å; V82-P133 HydrophobicContact CG1-CB 4.07Å; V82-P133 HydrophobicContact CG2-CB 4.12Å; I83-P133 WeakPolarHBondContact O-CA 3.38Å; P133-P135 WeakPolarHBondContact O-CD 2.97Å
134I92.3Very high82.1Confident6 Ų669 Ų693%0.03136%0.364CS..EExtended strand (participates in β ladder)trans-106.1111176.2-59.9167.1000108.4V82 I83 L130 R136 Y148 I149 F152V82-I134 CarbonylContact C-O 3.38Å; V82-I134 VanDerWaalsContact CA-O 3.27Å; V82-I134 WeakPolarHBondContact CA-O 3.39Å; I83-I134 HydrophobicContact CB-CB 4.2Å; I83-I134 HydrophobicContact CD1-CB 4.24Å; I83-I134 HydrophobicContact CD1-CG2 4.08Å; I83-I134 PolarHBondContact N-O 3.24Å; I83-I134 PolarHBondContact O-N 3.46Å; L130-I134 HydrophobicContact CD1-CD1 3.85Å; L130-I134 HydrophobicContact CD1-CG1 4.21Å; I134-R136 PolarHBondContact O-N 3.28Å; I134-Y148 HydrophobicContact CD1-CD1 4.37Å; I134-Y148 HydrophobicContact CD1-CE1 3.98Å; I134-Y148 HydrophobicContact CG1-CE1 4.39Å; I134-Y148 HydrophobicContact CG2-CE1 3.72Å; I134-I149 HydrophobicContact CD1-CG1 4.26Å; I134-F152 HydrophobicContact CD1-CD2 4.05Å; I134-F152 HydrophobicContact CD1-CE2 4.38Å; I134-F152 HydrophobicContact CD1-CG 4.28Å; I134-F152 HydrophobicContact CG1-CD1 4.49Å; I134-F152 HydrophobicContact CG1-CD2 4.46Å; I134-F152 HydrophobicContact CG1-CG 4.45Å
135P92Very high80.5Confident107 Ų10773.1 Ų73.170%0.69539%0.386SS*.EExtended strand (participates in β ladder)trans-57127.8176.3-25.334.9000112.3P133P133-P135 WeakPolarHBondContact O-CD 2.97Å
136R86.3Confident78.7Confident110 Ų11072.6 Ų72.642%0.41538%0.377SS..  trans-149.8130.1-180-166.968.6-172.71624.6111.3H42 G81 I83 I134H42-R136 PolarHBondContact NE2-O 2.92Å; G81-R136 CarbonylContact C-O 3.38Å; G81-R136 VanDerWaalsContact C-O 3.25Å; G81-R136 CarbonylContact O-C 3.53Å; G81-R136 PolarHBondContact O-N 3.36Å; I83-R136 HydrophobicContact CD1-CB 4.02Å; I83-R136 HydrophobicContact CD1-CG 4.23Å; I83-R136 HydrophobicContact CG1-CB 4.35Å; I134-R136 PolarHBondContact O-N 3.28Å
137K73Confident77Confident184 Ų18471.9 Ų71.980%0.839%0.387SS*.  trans-83.1-29.8-174.6-69-175177-178.40114.4
138D65.4Low75.5Confident79 Ų7976.5 Ų76.542%0.42240%0.401SS..  trans-106.7131.5-164.9-60.8-43.6000113.8Y142D138-Y142 HydrophobicContact CB-CD2 4.35Å; D138-Y142 HydrophobicContact CB-CE2 3.43Å; D138-Y142 VanDerWaalsContact CB-CE2 3.43Å
139P57Low74.2Confident61 Ų6173.7 Ų73.740%0.39639%0.39SS..  trans-88.5-8.4-171.633.9-36.1000115.9S7S7-P139 VanDerWaalsContact CB-O 3.29Å; S7-P139 WeakPolarHBondContact CB-O 3.31Å
140D52.5Low72.9Confident112 Ų11275 Ų7560%0.59941%0.405SS*.SBendtrans-98.796-167.5-72.1-25.9000113.6Y142D140-Y142 HydrophobicContact CB-CE2 4.23Å; D140-Y142 WeakPolarHBondContact O-CD1 3.41Å; D140-Y142 WeakPolarHBondContact O-CD2 3.49Å; D140-Y142 WeakPolarHBondContact O-CE1 3.33Å; D140-Y142 WeakPolarHBondContact O-CE2 3.47Å; D140-Y142 VanDerWaalsContact O-CG 3.29Å; D140-Y142 PolarHBondContact O-N 2.86Å; D140-Y142 VanDerWaalsContact O-N 3.11Å
141C52Low71.9Confident68 Ų6882.1 Ų82.146%0.45944%0.438SS..  trans37.263.7155.5-60.10000116.5C5C5-C141 WeakPolarHBondContact O-CA 3.47Å
142Y64.8Low71Confident100 Ų10079.1 Ų79.139%0.39242%0.421SS..  trans-104.1152.9175.3-53.5-73000111.9C5 D138 D140C5-Y142 WeakPolarHBondContact CB-O 3.31Å; C5-Y142 PolarHBondContact N-O 2.98Å; D138-Y142 HydrophobicContact CB-CD2 4.35Å; D138-Y142 HydrophobicContact CB-CE2 3.43Å; D138-Y142 VanDerWaalsContact CB-CE2 3.43Å; D140-Y142 HydrophobicContact CB-CE2 4.23Å; D140-Y142 WeakPolarHBondContact O-CD1 3.41Å; D140-Y142 WeakPolarHBondContact O-CD2 3.49Å; D140-Y142 WeakPolarHBondContact O-CE1 3.33Å; D140-Y142 WeakPolarHBondContact O-CE2 3.47Å; D140-Y142 VanDerWaalsContact O-CG 3.29Å; D140-Y142 PolarHBondContact O-N 2.86Å; D140-Y142 VanDerWaalsContact O-N 3.11Å
143A62.2Low70.3Confident58 Ų5875.6 Ų75.648%0.47941%0.405SS..EExtended strand (participates in β ladder)trans-91.7113.2176.800000109.7K2 F3K2-A143 HydrophobicContact CB-CB 3.71Å; K2-A143 HydrophobicContact CD-CB 3.54Å; K2-A143 HydrophobicContact CG-CB 4.26Å; F3-A143 CarbonylContact O-C 3.49Å; F3-A143 WeakPolarHBondContact O-CA 3.41Å
144L65.6Low69.3Low23 Ų2374.9 Ų74.912%0.1240%0.401CS..EExtended strand (participates in β ladder)trans-86.4133.6178.8-64.5158.6000110.5K2 F3 C5 A40 I83 E146 I149K2-L144 CarbonylContact C-O 3.57Å; K2-L144 WeakPolarHBondContact CA-O 3.39Å; K2-L144 WeakPolarHBondContact CB-O 3.22Å; F3-L144 HydrophobicContact CB-CB 4.46Å; F3-L144 PolarHBondContact N-O 2.93Å; F3-L144 PolarHBondContact O-N 3.48Å; C5-L144 HydrophobicContact CB-CD1 3.89Å; C5-L144 HydrophobicContact CB-CG 4.47Å; A40-L144 HydrophobicContact CB-CD1 3.68Å; I83-L144 HydrophobicContact CD1-CD1 3.5Å; I83-L144 VanDerWaalsContact CD1-CD1 3.5Å; I83-L144 HydrophobicContact CD1-CD2 3.56Å; I83-L144 HydrophobicContact CD1-CG 4.17Å; I83-L144 HydrophobicContact CG1-CD1 3.99Å; I83-L144 HydrophobicContact CG2-CD1 4.24Å; L144-E146 PolarHBondContact O-N 3.12Å; L144-I149 HydrophobicContact CB-CD1 3.33Å; L144-I149 HydrophobicContact CB-CG1 4.22Å; L144-I149 HydrophobicContact CD1-CD1 3.59Å; L144-I149 HydrophobicContact CG-CD1 4Å
145N64.4Low68.2Low99 Ų9979.5 Ų79.553%0.52943%0.431SS..EExtended strand (participates in β ladder)trans-67126.3179.6-69-34.5000111K2 G147 Y148 I149K2-N145 VanDerWaalsContact CE-OD1 3.27Å; K2-N145 WeakPolarHBondContact CE-OD1 3.21Å; N145-G147 VanDerWaalsContact C-N 3.31Å; N145-G147 PolarHBondContact O-N 3.47Å; N145-Y148 WeakPolarHBondContact O-CB 3.48Å; N145-Y148 PolarHBondContact O-N 3.25Å; N145-I149 PolarHBondContact O-N 3.13Å
146E61Low66.6Low56 Ų5679.7 Ų79.726%0.26244%0.442SS..Hα-helixtrans-56.5-41.7-179.1175.7-177.3-149.600112.7M1 F3 L144 Y148 I149 S150M1-E146 VanDerWaalsContact CA-OE2 3.31Å; M1-E146 WeakPolarHBondContact CA-OE2 3.43Å; M1-E146 HydrophobicContact CB-CB 4.14Å; M1-E146 WeakPolarHBondContact CB-OE2 3.37Å; M1-E146 WeakPolarHBondContact CE-OE1 3.45Å; M1-E146 WeakPolarHBondContact CE-OE2 3.41Å; M1-E146 WeakPolarHBondContact CG-OE2 3.39Å; M1-E146 PolarHBondContact N-OE2 3.3Å; M1-E146 WeakPolarHBondContact O-CB 3.37Å; M1-E146 PolarHBondContact O-N 3.06Å; F3-E146 HydrophobicContact CE2-CB 4.17Å; F3-E146 HydrophobicContact CE2-CG 4.06Å; L144-E146 PolarHBondContact O-N 3.12Å; E146-Y148 PolarHBondContact O-N 2.91Å; E146-Y148 VanDerWaalsContact O-N 3.08Å; E146-I149 PolarHBondContact O-N 3.35Å; E146-S150 WeakPolarHBondContact O-CB 3.37Å; E146-S150 PolarHBondContact O-N 2.96Å; E146-S150 PolarHBondContact O-OG 3.38Å
147G60Low64.7Low57 Ų5779.4 Ų79.459%0.58845%0.452SS*.Hα-helixtrans-62.5-17.5178.600000114.1N145 S150N145-G147 VanDerWaalsContact C-N 3.31Å; N145-G147 PolarHBondContact O-N 3.47Å; G147-S150 PolarHBondContact O-OG 3.41Å
148Y67.1Low62.8Low127 Ų12775.2 Ų75.250%0.49845%0.452SS..Hα-helixtrans-89.8-29.4172.7-178-105.8000112.2I134 N145 E146 F152I134-Y148 HydrophobicContact CD1-CD1 4.37Å; I134-Y148 HydrophobicContact CD1-CE1 3.98Å; I134-Y148 HydrophobicContact CG1-CE1 4.39Å; I134-Y148 HydrophobicContact CG2-CE1 3.72Å; N145-Y148 WeakPolarHBondContact O-CB 3.48Å; N145-Y148 PolarHBondContact O-N 3.25Å; E146-Y148 PolarHBondContact O-N 2.91Å; E146-Y148 VanDerWaalsContact O-N 3.08Å; Y148-F152 WeakPolarHBondContact O-CD2 3.26Å; Y148-F152 WeakPolarHBondContact O-CE2 3.28Å
149I68.8Low61.5Low0 Ų077.6 Ų77.60%046%0.464CS..Hα-helixtrans-87.9-29.3-179.2-67-175.7000112F3 L130 I134 L144 N145 E146 E151 F152 I153F3-I149 HydrophobicContact CB-CD1 4.23Å; F3-I149 HydrophobicContact CD2-CB 4.32Å; F3-I149 HydrophobicContact CD2-CD1 3.92Å; F3-I149 HydrophobicContact CD2-CG2 4.34Å; F3-I149 HydrophobicContact CE2-CB 4.41Å; F3-I149 HydrophobicContact CE2-CG2 4.27Å; F3-I149 HydrophobicContact CG-CD1 4.36Å; L130-I149 HydrophobicContact CD2-CG2 4.3Å; I134-I149 HydrophobicContact CD1-CG1 4.26Å; L144-I149 HydrophobicContact CB-CD1 3.33Å; L144-I149 HydrophobicContact CB-CG1 4.22Å; L144-I149 HydrophobicContact CD1-CD1 3.59Å; L144-I149 HydrophobicContact CG-CD1 4Å; N145-I149 PolarHBondContact O-N 3.13Å; E146-I149 PolarHBondContact O-N 3.35Å; I149-E151 PolarHBondContact O-N 2.88Å; I149-F152 WeakPolarHBondContact O-CA 3.46Å; I149-F152 WeakPolarHBondContact O-CB 3.27Å; I149-F152 PolarHBondContact O-N 3.23Å; I149-I153 HydrophobicContact CG2-CD1 4.01Å; I149-I153 HydrophobicContact CG2-CG1 3.77Å; I149-I153 WeakPolarHBondContact O-CG1 3.45Å; I149-I153 PolarHBondContact O-N 2.87Å
150S69.6Low60.4Low63 Ų6380.6 Ų80.644%0.44149%0.486SS..G310 helixtrans-55.4-30.8-173.251.90000113.7E146 G147 F152E146-S150 WeakPolarHBondContact O-CB 3.37Å; E146-S150 PolarHBondContact O-N 2.96Å; E146-S150 PolarHBondContact O-OG 3.38Å; G147-S150 PolarHBondContact O-OG 3.41Å; S150-F152 PolarHBondContact O-N 3.44Å
151E74.8Confident59.5Low151 Ų15179.1 Ų79.171%0.70649%0.49SS*.G310 helixtrans-71-21.4177-60.6-178.8176.500112.9I149I149-E151 PolarHBondContact O-N 2.88Å
152F75.5Confident58.2Low32 Ų3285.4 Ų85.414%0.1451%0.509CS..G310 helixtrans-102.1-7.2-177.9-58-88.1000113L130 L131 E132 I134 Y148 I149 S150L130-F152 CarbonylContact C-O 3.49Å; L130-F152 WeakPolarHBondContact CA-O 3.34Å; L130-F152 HydrophobicContact CB-CB 4.23Å; L130-F152 HydrophobicContact CD1-CB 4.25Å; L130-F152 HydrophobicContact CD2-CB 4.13Å; L130-F152 HydrophobicContact CG-CB 4.42Å; L131-F152 PolarHBondContact N-O 2.97Å; E132-F152 HydrophobicContact CB-CD1 3.98Å; E132-F152 HydrophobicContact CB-CE1 4.12Å; I134-F152 HydrophobicContact CD1-CD2 4.05Å; I134-F152 HydrophobicContact CD1-CE2 4.38Å; I134-F152 HydrophobicContact CD1-CG 4.28Å; I134-F152 HydrophobicContact CG1-CD1 4.49Å; I134-F152 HydrophobicContact CG1-CD2 4.46Å; I134-F152 HydrophobicContact CG1-CG 4.45Å; Y148-F152 WeakPolarHBondContact O-CD2 3.26Å; Y148-F152 WeakPolarHBondContact O-CE2 3.28Å; I149-F152 WeakPolarHBondContact O-CA 3.46Å; I149-F152 WeakPolarHBondContact O-CB 3.27Å; I149-F152 PolarHBondContact O-N 3.23Å; S150-F152 PolarHBondContact O-N 3.44Å
153I77.8Confident56.6Low51 Ų5186.3 Ų86.326%0.26253%0.528SS..SBendtrans-77.1124.6178.4-55.1-175.8000108.1F3 L86 I149F3-I153 HydrophobicContact CE2-CD1 4.31Å; F3-I153 HydrophobicContact CZ-CD1 4.09Å; L86-I153 HydrophobicContact CD1-CD1 3.84Å; L86-I153 HydrophobicContact CD1-CG1 3.91Å; L86-I153 HydrophobicContact CD1-CG2 4.28Å; I149-I153 HydrophobicContact CG2-CD1 4.01Å; I149-I153 HydrophobicContact CG2-CG1 3.77Å; I149-I153 WeakPolarHBondContact O-CG1 3.45Å; I149-I153 PolarHBondContact O-N 2.87Å
154P73.7Confident55.3Low28 Ų2892.7 Ų92.718%0.18255%0.547CS..PPolyproline II helixtrans-60.5140.1173.526.3-34.1000109.6R128 W129 L131 A156R128-P154 HydrophobicContact CB-CG 4.36Å; W129-P154 VanDerWaalsContact O-CD 3.32Å; W129-P154 WeakPolarHBondContact O-CD 3.44Å; W129-P154 WeakPolarHBondContact O-CG 3.43Å; L131-P154 HydrophobicContact CD2-CB 4.1Å; P154-A156 PolarHBondContact O-N 2.88Å
155P69.8Low53.6Low104 Ų10496 Ų9668%0.67557%0.572SS**PPolyproline II helixtrans-53.8145.1170.424-32.2000108.7V157P155-V157 WeakPolarHBondContact O-CG2 3.25Å; P155-V157 PolarHBondContact O-N 3.34Å
156A58.2Low52.3Low110 Ų11098.9 Ų98.991%0.90959%0.587SS**  trans-49.399-174.500000111.2P154 A158P154-A156 PolarHBondContact O-N 2.88Å; A156-A158 PolarHBondContact O-N 3.37Å
157V45.4Very low51Low105 Ų105102.4 Ų102.464%0.63661%0.607SS**  trans-80.2113.1172.6-179.20000104.7P155 L159P155-V157 WeakPolarHBondContact O-CG2 3.25Å; P155-V157 PolarHBondContact O-N 3.34Å; V157-L159 PolarHBondContact O-N 2.98Å
158A33.5Very low49.8Very low96 Ų96107.1 Ų107.179%0.79362%0.619SS**  trans-61.493.6167.100000107.7A156 S160A156-A158 PolarHBondContact O-N 3.37Å; A158-S160 VanDerWaalsContact C-N 3.27Å; A158-S160 PolarHBondContact O-N 3.32Å
159L37.3Very low48.1Very low128 Ų128109.9 Ų109.967%0.6763%0.634SS**  trans-67.893.5170.3-84.5164.1000107.6V157 A161V157-L159 PolarHBondContact O-N 2.98Å; L159-A161 VanDerWaalsContact C-N 3.26Å; L159-A161 PolarHBondContact O-N 3.13Å
160S35.1Very low46.1Very low124 Ų124112.9 Ų112.987%0.86767%0.665SS**  trans-67.287161.1162.50000108.7A158A158-S160 VanDerWaalsContact C-N 3.27Å; A158-S160 PolarHBondContact O-N 3.32Å
161A32.4Very low44.3Very low82 Ų82117.6 Ų117.668%0.67869%0.685SS**  trans-149.6118.6152.300000107.4L159L159-A161 VanDerWaalsContact C-N 3.26Å; L159-A161 PolarHBondContact O-N 3.13Å
162K26.5Very low42.1Very low200 Ų200116.2 Ų116.287%0.8769%0.686SS**PPolyproline II helixtrans-52.5130-177.9-71.4171.4175.5176.10110.1Q164K162-Q164 PolarHBondContact O-N 3.02Å
163P31.1Very low39.9Very low119 Ų119123.3 Ų123.377%0.77372%0.72SS**PPolyproline II helixtrans-60.7120.515625.1-29.2000107S165P163-S165 PolarHBondContact O-N 3.19Å
164Q33.2Very low37.7Very low192 Ų192130 Ų13090%0.89775%0.747SS**PPolyproline II helixtrans-57.6131.9157.9-79.7-176.6-24.300106.6K162 L166K162-Q164 PolarHBondContact O-N 3.02Å; Q164-L166 PolarHBondContact O-N 3.35Å
165S30.2Very low35.6Very low91 Ų91137.5 Ų137.564%0.63678%0.779SS**PPolyproline II helixtrans-55.1119.1-160.755.30000113P163 N167P163-S165 PolarHBondContact O-N 3.19Å; S165-N167 PolarHBondContact O-N 3.44Å
166L37.3Very low33.6Very low160 Ų160138.9 Ų138.984%0.83878%0.781SS**  trans-73.369.6149.1-77.7164.4000108.2Q164Q164-L166 PolarHBondContact O-N 3.35Å
167N33.3Very low32.2Very low130 Ų130140.1 Ų140.170%0.69578%0.782SS**  trans-12887165-81.7-12.3000106.5S165S165-N167 PolarHBondContact O-N 3.44Å
168N35.1Very low31.5Very low157 Ų157142.2 Ų142.284%0.8478%0.784SS**  trans173.357.1146-87.1-9.6000110.3
169F32Very low31.4Very low184 Ų184145.5 Ų145.581%0.80778%0.783SS**  trans-106.569.6149.2-82.9-81.2000107.3L171F169-L171 VanDerWaalsContact C-N 3.3Å; F169-L171 PolarHBondContact O-N 3.48Å; F169-L171 VanDerWaalsContact O-N 3.16Å
170G26.2Very low31Very low63 Ų63147.2 Ų147.265%0.64979%0.79SS**  trans-71.594.7156.500000106.9V172G170-V172 VanDerWaalsContact C-N 3.29Å; G170-V172 PolarHBondContact O-N 2.72Å
171L32.2Very low30.8Very low163 Ų163147.2 Ų147.285%0.85379%0.785SS**  trans-56.9106.1153.2-77165.8000105.5F169 E173F169-L171 VanDerWaalsContact C-N 3.3Å; F169-L171 PolarHBondContact O-N 3.48Å; F169-L171 VanDerWaalsContact O-N 3.16Å; L171-E173 VanDerWaalsContact C-N 3.29Å; L171-E173 PolarHBondContact O-N 2.83Å
172V29.2Very low30.8Very low121 Ų121148.4 Ų148.473%0.73379%0.788SS**  trans-62.398.4168.11760000105.8G170 K174G170-V172 VanDerWaalsContact C-N 3.29Å; G170-V172 PolarHBondContact O-N 2.72Å; V172-K174 VanDerWaalsContact C-N 3.28Å; V172-K174 HydrophobicContact CG1-CG 4.13Å; V172-K174 PolarHBondContact O-N 2.91Å
173E28.3Very low31.2Very low181 Ų181148.5 Ų148.585%0.84681%0.812SS**  trans-6099.5158.2-75.7-172.5153.800106.4L171 E175L171-E173 VanDerWaalsContact C-N 3.29Å; L171-E173 PolarHBondContact O-N 2.83Å; E173-E175 VanDerWaalsContact C-N 3.29Å; E173-E175 PolarHBondContact O-N 2.8Å
174K32.1Very low31.2Very low193 Ų193150 Ų15084%0.83981%0.814SS**  trans-71.196.9161-79.1-172177.8178.60106.9V172 N176V172-K174 VanDerWaalsContact C-N 3.28Å; V172-K174 HydrophobicContact CG1-CG 4.13Å; V172-K174 PolarHBondContact O-N 2.91Å; K174-N176 PolarHBondContact O-N 2.7Å
175E29.2Very low31.1Very low184 Ų184147.7 Ų147.786%0.8681%0.809SS**  trans-50123.2148.5-69.7-178.9144.100108.3E173E173-E175 VanDerWaalsContact C-N 3.29Å; E173-E175 PolarHBondContact O-N 2.8Å
176N28.5Very low31.1Very low134 Ų134150.9 Ų150.972%0.71782%0.819SS**  139.9102.5123.4-146.714.8000111.4K174K174-N176 PolarHBondContact O-N 2.7Å
177C27.4Very low30.8Very low136 Ų136150.4 Ų150.492%0.91982%0.818SS**  trans-143.1115.6145.2-109.40000107.9
178Q30.9Very low30.6Very low148 Ų148151.6 Ų151.669%0.69283%0.825SS**  trans-64151.4179.8-69.8165.7-68.500112.3
179E31.3Very low30.3Very low165 Ų165151.3 Ų151.377%0.77183%0.825SS**  trans51.2118.9142.2-64178.1158.400119.8
180M29.2Very low30.2Very low164 Ų164148.9 Ų148.981%0.80883%0.826SS**  165.6138.698.6-83.3-156.9-56.300113.3
181T31.5Very low30.5Very low124 Ų124155.5 Ų155.576%0.76184%0.839SS**  trans74103.6148.635.20000122.3
182S31.8Very low30.3Very low107 Ų107154.9 Ų154.975%0.74884%0.838SS**  31.1113.6115177.70000119.2
183C34.7Very low30.4Very low202 Ų202158 Ų158100%1.36585%0.848SS**  -172.80111.3-105.30000109.6

Retrieved 183 of 183 residues in 45 ms (Link to these results)

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