A0A077ZEU7_TRITR Loading...

His Phos 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEU7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M71.1Confident88.6Confident241 Ų24152.5 Ų52.5100%1.18725%0.253SS*.  0124.60-174.3178.2-70.800107.3
2L82.6Confident89.4Confident71 Ų7148.2 Ų48.237%0.37223%0.232SC..  trans-77.6135177.2-17967000109.4V4 C136 P145L2-V4 HydrophobicContact CD2-CG2 4.13Å; L2-V4 HydrophobicContact CG-CG2 4.21Å; L2-C136 HydrophobicContact CD2-CB 3.74Å; L2-C136 WeakPolarHBondContact CD2-O 3.46Å; L2-P145 HydrophobicContact CD1-CG 4.22Å
3Q86.5Confident90.1Very high92 Ų9251.7 Ų51.743%0.4325%0.248SC..  trans-107122.8173.3-174.5175.650.300109.3Y5 P145Q3-Y5 HydrophobicContact CG-CE2 3.95Å; Q3-Y5 PolarHBondContact OE1-OH 3.15Å; Q3-P145 WeakPolarHBondContact O-CD 3.31Å
4V88Confident90.6Very high21 Ų2151 Ų5113%0.12724%0.242CC..  trans-110.3132.1177.5-175.30000109.1L2 L6 L133 C136 P145 L147L2-V4 HydrophobicContact CD2-CG2 4.13Å; L2-V4 HydrophobicContact CG-CG2 4.21Å; V4-L6 HydrophobicContact CG1-CD2 4.18Å; V4-L133 HydrophobicContact CB-CD1 4.28Å; V4-L133 HydrophobicContact CG1-CD1 4.02Å; V4-L133 HydrophobicContact CG2-CD1 4.01Å; V4-C136 HydrophobicContact CG2-CB 4.37Å; V4-P145 HydrophobicContact CG2-CG 4.04Å; V4-L147 HydrophobicContact CG1-CB 4.08Å; V4-L147 HydrophobicContact CG1-CD1 3.79Å; V4-L147 HydrophobicContact CG1-CG 4.41Å
5Y90.6Very high90.9Very high14 Ų1450.7 Ų50.76%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-98.6139.2176.1-64.8-96.7000109.8Q3 L46 I48 R144 P145 L146 L147 I166Q3-Y5 HydrophobicContact CG-CE2 3.95Å; Q3-Y5 PolarHBondContact OE1-OH 3.15Å; Y5-L46 HydrophobicContact CD1-CD1 3.95Å; Y5-L46 HydrophobicContact CE1-CD1 3.63Å; Y5-L46 HydrophobicContact CE1-CD2 4.05Å; Y5-L46 HydrophobicContact CE1-CG 4.28Å; Y5-I48 HydrophobicContact CD1-CD1 4.46Å; Y5-I48 HydrophobicContact CD2-CD1 3.36Å; Y5-I48 HydrophobicContact CE2-CD1 3.81Å; Y5-I48 HydrophobicContact CG-CD1 3.74Å; Y5-R144 HydrophobicContact CE2-CB 4.42Å; Y5-R144 PolarHBondContact OH-NH2 2.96Å; Y5-P145 PolarHBondContact N-O 2.78Å; Y5-L146 CarbonylContact O-C 3.52Å; Y5-L146 WeakPolarHBondContact O-CA 3.29Å; Y5-L147 PolarHBondContact O-N 2.96Å; Y5-I166 HydrophobicContact CD1-CD1 3.82Å; Y5-I166 HydrophobicContact CD1-CG1 3.98Å
6L90.6Very high91.3Very high3 Ų351.5 Ų51.52%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-116.1131-177.5-56.1176.2000109.9V4 L147 Y154 V157 A163 I165V4-L6 HydrophobicContact CG1-CD2 4.18Å; L6-L147 WeakPolarHBondContact CA-O 3.46Å; L6-L147 HydrophobicContact CD2-CB 3.75Å; L6-Y154 HydrophobicContact CB-CD1 3.76Å; L6-Y154 HydrophobicContact CB-CE1 3.56Å; L6-Y154 HydrophobicContact CD1-CD1 3.85Å; L6-Y154 HydrophobicContact CD1-CE1 4.32Å; L6-Y154 HydrophobicContact CD2-CD1 3.95Å; L6-Y154 HydrophobicContact CD2-CE1 3.63Å; L6-Y154 HydrophobicContact CG-CD1 4.04Å; L6-Y154 HydrophobicContact CG-CE1 4Å; L6-V157 HydrophobicContact CD1-CB 4.18Å; L6-V157 HydrophobicContact CD1-CG1 3.66Å; L6-V157 HydrophobicContact CD2-CG1 4.25Å; L6-A163 HydrophobicContact CD1-CB 3.61Å; L6-A163 HydrophobicContact CG-CB 4.31Å; L6-I165 HydrophobicContact CB-CG1 4.49Å; L6-I165 HydrophobicContact CD1-CG1 4.25Å
7V90.5Very high91.7Very high9 Ų953.4 Ų53.46%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-135.3125.4-178.2172.60000111.2V39 I66 L146 L147 H148 G149 Y154V7-V39 HydrophobicContact CB-CG1 4.5Å; V7-V39 HydrophobicContact CG1-CG1 3.79Å; V7-V39 HydrophobicContact CG1-CG2 4.48Å; V7-V39 HydrophobicContact CG2-CG1 3.83Å; V7-I66 HydrophobicContact CG1-CD1 4.17Å; V7-L146 HydrophobicContact CB-CD2 4.08Å; V7-L146 HydrophobicContact CB-CG 4.48Å; V7-L146 HydrophobicContact CG2-CD1 3.74Å; V7-L146 HydrophobicContact CG2-CD2 4.03Å; V7-L146 HydrophobicContact CG2-CG 3.91Å; V7-L147 PolarHBondContact N-O 3.08Å; V7-L147 VanDerWaalsContact N-O 3.11Å; V7-H148 PolarHBondContact O-CD2 3.08Å; V7-G149 PolarHBondContact O-N 2.95Å; V7-Y154 VanDerWaalsContact C-OH 3.29Å; V7-Y154 PolarHBondContact N-OH 3.34Å; V7-Y154 WeakPolarHBondContact O-CE2 3.27Å; V7-Y154 VanDerWaalsContact O-CZ 3.32Å; V7-Y154 PolarHBondContact O-OH 3.43Å
8R92Very high92Very high79 Ų7957.8 Ų57.830%0.29828%0.28SS..EExtended strand (participates in β ladder)trans-78.3145.1168.5-173-177.9168.2-148.1-2.3110.6S151 Y154 W172R8-S151 PolarHBondContact NE-OG 3.41Å; R8-S151 VanDerWaalsContact NE-OG 3.11Å; R8-Y154 HydrophobicContact CB-CE2 4.29Å; R8-W172 VanDerWaalsContact NH1-CZ3 3.32Å
9H93.3Very high92.3Very high7 Ų758.9 Ų58.93%0.03228%0.282CS..PPolyproline II helixtrans-51.3153.1169.468.486.1000112.7N15 T59 H148 Q150H9-N15 PolarHBondContact CE1-OD1 3.42Å; H9-T59 HydrophobicContact CB-CG2 3.89Å; H9-H148 VanDerWaalsContact CA-NE2 3.35Å; H9-H148 WeakPolarHBondContact CA-NE2 3.34Å; H9-H148 PolarHBondContact N-NE2 3.27Å; H9-Q150 PolarHBondContact NE2-OE1 3.21Å
10G93.6Very high92.5Very high4 Ų456.6 Ų56.64%0.04127%0.271CS..PPolyproline II helixtrans-62.3163171.700000112.6T12 L28 T62G10-T12 PolarHBondContact O-N 2.79Å; G10-L28 VanDerWaalsContact O-CD2 3.26Å; G10-L28 WeakPolarHBondContact O-CD2 3.33Å; G10-T62 PolarHBondContact N-OG1 2.94Å
11E96.2Very high92.7Very high37 Ų3754.5 Ų54.517%0.17326%0.26CS..PPolyproline II helixtrans-52.7132.3174.6-174.5-172.384.700112.1N15 L28 T29 K31 G32E11-N15 HydrophobicContact CG-CB 4.01Å; E11-L28 WeakPolarHBondContact O-CA 3.46Å; E11-T29 HydrophobicContact CG-CG2 4.26Å; E11-T29 PolarHBondContact O-N 3.37Å; E11-T29 PolarHBondContact O-OG1 2.78Å; E11-T29 PolarHBondContact OE1-OG1 3.37Å; E11-K31 WeakPolarHBondContact OE2-CE 3.27Å; E11-K31 IonicContact OE2-NZ 3.17Å; E11-K31 PolarHBondContact OE2-NZ 2.95Å; E11-G32 WeakPolarHBondContact O-CA 3.5Å
12T97.7Very high93.8Very high0 Ų043.2 Ų43.20%021%0.206CC..BIsolated β-bridgetrans-105167.6173.175.20000112.8G10 W14 N15 A16 Q21 S26 P27 L28 T29 R58G10-T12 PolarHBondContact O-N 2.79Å; T12-W14 VanDerWaalsContact C-N 3.26Å; T12-W14 PolarHBondContact O-N 3.11Å; T12-W14 PolarHBondContact OG1-N 3.47Å; T12-N15 PolarHBondContact N-OD1 3.45Å; T12-N15 WeakPolarHBondContact O-CB 3.5Å; T12-N15 PolarHBondContact O-N 3.28Å; T12-N15 PolarHBondContact OG1-N 3.23Å; T12-N15 VanDerWaalsContact OG1-N 3.13Å; T12-N15 PolarHBondContact OG1-OD1 3.37Å; T12-A16 PolarHBondContact O-N 3.27Å; T12-Q21 PolarHBondContact OG1-NE2 3.48Å; T12-Q21 PolarHBondContact OG1-OE1 3.06Å; T12-S26 WeakPolarHBondContact CB-OG 3.37Å; T12-S26 PolarHBondContact OG1-OG 3.2Å; T12-P27 CarbonylContact C-O 3.52Å; T12-P27 VanDerWaalsContact CA-O 3.24Å; T12-P27 WeakPolarHBondContact CA-O 3.35Å; T12-P27 VanDerWaalsContact CB-O 3.28Å; T12-P27 WeakPolarHBondContact CB-O 3.32Å; T12-L28 HydrophobicContact CG2-CD2 4.1Å; T12-T29 VanDerWaalsContact C-CG2 3.44Å; T12-R58 HydrophobicContact CG2-CB 3.68Å; T12-R58 VanDerWaalsContact CG2-CD 3.48Å; T12-R58 HydrophobicContact CG2-CG 4.22Å
13Q98.5Very high94.5Very high94 Ų9442.5 Ų42.544%0.43920%0.201SC..Hα-helixtrans-52.6-44.5171.6-71.6-177.5-23.800111.9N15 A16 E17 P27 T29Q13-N15 VanDerWaalsContact C-N 3.31Å; Q13-N15 PolarHBondContact O-N 3.2Å; Q13-A16 WeakPolarHBondContact O-CB 3.35Å; Q13-A16 PolarHBondContact O-N 3.23Å; Q13-A16 VanDerWaalsContact O-N 3.12Å; Q13-E17 WeakPolarHBondContact O-CG 3.11Å; Q13-E17 PolarHBondContact O-N 3.02Å; Q13-P27 HydrophobicContact CG-CG 4.07Å; Q13-P27 PolarHBondContact N-O 3.49Å; Q13-P27 VanDerWaalsContact OE1-CG 3.31Å; Q13-T29 HydrophobicContact CG-CG2 4.47Å
14W97.9Very high95Very high42 Ų4239.3 Ų39.316%0.15919%0.188CC..Hα-helixtrans-71.7-22.3177.8-71.63.1000113.9T12 R18 R19 Q21 D25 S26 K90T12-W14 VanDerWaalsContact C-N 3.26Å; T12-W14 PolarHBondContact O-N 3.11Å; T12-W14 PolarHBondContact OG1-N 3.47Å; W14-R18 PolarHBondContact O-N 3.01Å; W14-R19 HydrophobicContact CB-CB 3.85Å; W14-R19 HydrophobicContact CD2-CB 4.29Å; W14-R19 HydrophobicContact CG-CB 3.91Å; W14-R19 PolarHBondContact O-N 2.93Å; W14-Q21 HydrophobicContact CB-CG 3.88Å; W14-Q21 HydrophobicContact CE3-CB 4.16Å; W14-Q21 HydrophobicContact CE3-CG 3.92Å; W14-D25 WeakPolarHBondContact CH2-O 3.23Å; W14-S26 WeakPolarHBondContact CB-OG 3.36Å; W14-S26 VanDerWaalsContact CG-CB 3.5Å; W14-S26 PolarHBondContact N-OG 3.5Å; W14-K90 HydrophobicContact CH2-CB 4.29Å; W14-K90 HydrophobicContact CH2-CD 4.03Å; W14-K90 HydrophobicContact CH2-CG 3.51Å; W14-K90 HydrophobicContact CZ2-CG 4.24Å; W14-K90 HydrophobicContact CZ3-CB 4.45Å; W14-K90 HydrophobicContact CZ3-CG 3.78Å
15N95.2Very high95.4Very high47 Ų4741.3 Ų41.325%0.25120%0.198SC..Hα-helixtrans-67.4-44.6166.5-64.7140.8000111.4H9 E11 T12 Q13 E17 R18 Q21H9-N15 PolarHBondContact CE1-OD1 3.42Å; E11-N15 HydrophobicContact CG-CB 4.01Å; T12-N15 PolarHBondContact N-OD1 3.45Å; T12-N15 WeakPolarHBondContact O-CB 3.5Å; T12-N15 PolarHBondContact O-N 3.28Å; T12-N15 PolarHBondContact OG1-N 3.23Å; T12-N15 VanDerWaalsContact OG1-N 3.13Å; T12-N15 PolarHBondContact OG1-OD1 3.37Å; Q13-N15 VanDerWaalsContact C-N 3.31Å; Q13-N15 PolarHBondContact O-N 3.2Å; N15-E17 VanDerWaalsContact C-N 3.29Å; N15-E17 PolarHBondContact O-N 3.17Å; N15-R18 PolarHBondContact O-N 3.23Å; N15-Q21 VanDerWaalsContact CG-NE2 3.31Å; N15-Q21 PolarHBondContact ND2-NE2 3.35Å; N15-Q21 PolarHBondContact OD1-NE2 2.8Å
16A97.3Very high95.7Very high63 Ų6341 Ų4152%0.52120%0.198SC..Hα-helixtrans-63.7-36.7178.100000111.9T12 Q13 R18 T29T12-A16 PolarHBondContact O-N 3.27Å; Q13-A16 WeakPolarHBondContact O-CB 3.35Å; Q13-A16 PolarHBondContact O-N 3.23Å; Q13-A16 VanDerWaalsContact O-N 3.12Å; A16-R18 VanDerWaalsContact C-N 3.34Å; A16-T29 HydrophobicContact CB-CG2 4.47Å
17E97.7Very high96Very high84 Ų8444.4 Ų44.439%0.39322%0.22SC..THydrogen-bonded Turntrans-82.8-4.7176.9-68.3174-149.200114.3Q13 N15 R19 H92Q13-E17 WeakPolarHBondContact O-CG 3.11Å; Q13-E17 PolarHBondContact O-N 3.02Å; N15-E17 VanDerWaalsContact C-N 3.29Å; N15-E17 PolarHBondContact O-N 3.17Å; E17-R19 VanDerWaalsContact C-N 3.3Å; E17-R19 HydrophobicContact CB-CG 4.2Å; E17-R19 PolarHBondContact O-N 3.23Å; E17-R19 WeakPolarHBondContact OE2-CD 3.33Å; E17-R19 IonicContact OE2-CZ 3.72Å; E17-R19 IonicContact OE2-NE 3.76Å; E17-R19 PolarHBondContact OE2-NE 3.21Å; E17-R19 IonicContact OE2-NH2 2.74Å; E17-H92 PolarHBondContact O-CE1 2.77Å; E17-H92 VanDerWaalsContact O-CE1 3.3Å; E17-H92 PolarHBondContact O-ND1 2.97Å
18R96.8Very high96.4Very high132 Ų13244.9 Ų44.950%0.49822%0.222SC..THydrogen-bonded Turntrans58.736.4-174.8-54175.454.578.5-0.1114.1W14 N15 A16 I93 D94W14-R18 PolarHBondContact O-N 3.01Å; N15-R18 PolarHBondContact O-N 3.23Å; A16-R18 VanDerWaalsContact C-N 3.34Å; R18-I93 HydrophobicContact CB-CG2 3.86Å; R18-I93 WeakPolarHBondContact O-CG2 3.29Å; R18-I93 PolarHBondContact O-N 3.31Å; R18-D94 WeakPolarHBondContact CD-OD2 3.22Å; R18-D94 IonicContact CZ-OD1 2.76Å; R18-D94 IonicContact CZ-OD2 3.52Å; R18-D94 IonicContact NE-OD1 2.77Å; R18-D94 PolarHBondContact NE-OD1 2.97Å; R18-D94 IonicContact NE-OD2 2.7Å; R18-D94 PolarHBondContact NE-OD2 3.38Å; R18-D94 IonicContact NH2-OD1 3.57Å; R18-D94 PolarHBondContact NH2-OD1 3.39Å; R18-D94 IonicContact NH2-OD2 3.46Å
19R97.7Very high96.7Very high80 Ų8042.2 Ų42.230%0.30222%0.215SC..BIsolated β-bridgetrans-89.9140.1170.5-66.9178.4-172.8-87.83.8111.9W14 E17 K90 R91 H92W14-R19 HydrophobicContact CB-CB 3.85Å; W14-R19 HydrophobicContact CD2-CB 4.29Å; W14-R19 HydrophobicContact CG-CB 3.91Å; W14-R19 PolarHBondContact O-N 2.93Å; E17-R19 VanDerWaalsContact C-N 3.3Å; E17-R19 HydrophobicContact CB-CG 4.2Å; E17-R19 PolarHBondContact O-N 3.23Å; E17-R19 WeakPolarHBondContact OE2-CD 3.33Å; E17-R19 IonicContact OE2-CZ 3.72Å; E17-R19 IonicContact OE2-NE 3.76Å; E17-R19 PolarHBondContact OE2-NE 3.21Å; E17-R19 IonicContact OE2-NH2 2.74Å; R19-K90 PolarHBondContact NH1-O 2.85Å; R19-R91 CarbonylContact C-O 3.58Å; R19-R91 VanDerWaalsContact CA-O 3.27Å; R19-R91 WeakPolarHBondContact CA-O 3.28Å; R19-H92 WeakPolarHBondContact CG-ND1 3.31Å; R19-H92 PolarHBondContact NE-CE1 3.41Å; R19-H92 PolarHBondContact NH1-NE2 2.87Å; R19-H92 PolarHBondContact NH2-NE2 3.24Å
20I96.1Very high96.9Very high12 Ų1245.9 Ų45.96%0.06225%0.246CC..  trans-70129.5173.4-62168.1000108M85 L88 K90 R91 I93 L96I20-M85 HydrophobicContact CG2-CB 3.67Å; I20-M85 HydrophobicContact CG2-CE 3.8Å; I20-M85 HydrophobicContact CG2-CG 3.78Å; I20-L88 WeakPolarHBondContact CB-O 3.47Å; I20-L88 HydrophobicContact CD1-CB 3.98Å; I20-K90 WeakPolarHBondContact O-CA 3.47Å; I20-K90 PolarHBondContact O-N 3.4Å; I20-R91 PolarHBondContact N-O 3.01Å; I20-I93 HydrophobicContact CG1-CB 4.45Å; I20-L96 HydrophobicContact CD1-CD1 4.03Å; I20-L96 HydrophobicContact CD1-CD2 4.33Å
21Q96.2Very high97.1Very high12 Ų1251.3 Ų51.36%0.05627%0.269CS..  trans-99.1-50.1-177.5-46.8-165.449.900112T12 W14 N15 Q23 S24 S26 E89T12-Q21 PolarHBondContact OG1-NE2 3.48Å; T12-Q21 PolarHBondContact OG1-OE1 3.06Å; W14-Q21 HydrophobicContact CB-CG 3.88Å; W14-Q21 HydrophobicContact CE3-CB 4.16Å; W14-Q21 HydrophobicContact CE3-CG 3.92Å; N15-Q21 VanDerWaalsContact CG-NE2 3.31Å; N15-Q21 PolarHBondContact ND2-NE2 3.35Å; N15-Q21 PolarHBondContact OD1-NE2 2.8Å; Q21-Q23 PolarHBondContact O-N 3.3Å; Q21-S24 WeakPolarHBondContact O-CA 3.48Å; Q21-S24 VanDerWaalsContact O-CB 3.28Å; Q21-S24 WeakPolarHBondContact O-CB 3.32Å; Q21-S24 PolarHBondContact O-N 3.5Å; Q21-S26 PolarHBondContact OE1-OG 3.39Å; Q21-E89 VanDerWaalsContact O-CD 3.25Å; Q21-E89 VanDerWaalsContact O-CG 3.31Å; Q21-E89 WeakPolarHBondContact O-CG 3.36Å
22G95.1Very high97.2Very high4 Ų449.6 Ų49.64%0.04126%0.261CS..THydrogen-bonded Turntrans53.1-128-169.500000110.9R58 E82 L83 E89G22-R58 PolarHBondContact O-NH2 2.98Å; G22-E82 WeakPolarHBondContact O-CB 3.42Å; G22-L83 WeakPolarHBondContact CA-O 3.04Å; G22-E89 VanDerWaalsContact CA-OE1 3.31Å; G22-E89 WeakPolarHBondContact CA-OE1 3.21Å
23Q96.8Very high97.2Very high57 Ų5751.5 Ų51.527%0.26627%0.27SS..THydrogen-bonded Turntrans-87.9-10.3174.4-61.6-167.11500114Q21 L56 R81 E82 N84 E89Q21-Q23 PolarHBondContact O-N 3.3Å; Q23-L56 WeakPolarHBondContact O-CD2 3.24Å; Q23-R81 HydrophobicContact CG-CB 4.32Å; Q23-E82 WeakPolarHBondContact CG-O 3.48Å; Q23-E82 PolarHBondContact NE2-O 3.05Å; Q23-N84 HydrophobicContact CG-CB 4.24Å; Q23-E89 PolarHBondContact N-OE1 3.41Å
24S97.1Very high97.2Very high24 Ų2452.2 Ų52.217%0.16827%0.273CS..SBendtrans-66.1161.6165-67.60000111.3Q21 R58 E89 K90Q21-S24 WeakPolarHBondContact O-CA 3.48Å; Q21-S24 VanDerWaalsContact O-CB 3.28Å; Q21-S24 WeakPolarHBondContact O-CB 3.32Å; Q21-S24 PolarHBondContact O-N 3.5Å; S24-R58 PolarHBondContact O-NH1 3.12Å; S24-R58 PolarHBondContact O-NH2 3.06Å; S24-E89 WeakPolarHBondContact CB-OE2 3.41Å; S24-E89 PolarHBondContact N-OE2 3.33Å; S24-E89 PolarHBondContact OG-OE2 3.28Å; S24-K90 VanDerWaalsContact OG-CE 3.29Å; S24-K90 WeakPolarHBondContact OG-CE 3.45Å
25D95.7Very high97.1Very high64 Ų6451.6 Ų51.634%0.34227%0.272SS..  trans-132.9150.7-166.5-152.311.6000114.9W14 G57 R58W14-D25 WeakPolarHBondContact CH2-O 3.23Å; D25-G57 WeakPolarHBondContact OD2-CA 3.39Å; D25-G57 PolarHBondContact OD2-N 2.66Å; D25-R58 WeakPolarHBondContact OD1-CB 3.26Å; D25-R58 WeakPolarHBondContact OD1-CG 3.34Å; D25-R58 IonicContact OD1-CZ 3.7Å; D25-R58 PolarHBondContact OD1-N 2.76Å; D25-R58 IonicContact OD1-NH1 3.81Å; D25-R58 PolarHBondContact OD1-NH1 3.39Å; D25-R58 PolarHBondContact OD2-N 2.79Å
26S97.5Very high97.1Very high6 Ų649.4 Ų49.44%0.04226%0.261CS..  trans-147145.8174.561.10000109.2T12 W14 Q21T12-S26 WeakPolarHBondContact CB-OG 3.37Å; T12-S26 PolarHBondContact OG1-OG 3.2Å; W14-S26 WeakPolarHBondContact CB-OG 3.36Å; W14-S26 VanDerWaalsContact CG-CB 3.5Å; W14-S26 PolarHBondContact N-OG 3.5Å; Q21-S26 PolarHBondContact OE1-OG 3.39Å
27P98Very high97.1Very high75 Ų7550 Ų5049%0.48725%0.254SS..PPolyproline II helixtrans-66.7157.6-176.829.2-35.6000111.6T12 Q13T12-P27 CarbonylContact C-O 3.52Å; T12-P27 VanDerWaalsContact CA-O 3.24Å; T12-P27 WeakPolarHBondContact CA-O 3.35Å; T12-P27 VanDerWaalsContact CB-O 3.28Å; T12-P27 WeakPolarHBondContact CB-O 3.32Å; Q13-P27 HydrophobicContact CG-CG 4.07Å; Q13-P27 PolarHBondContact N-O 3.49Å; Q13-P27 VanDerWaalsContact OE1-CG 3.31Å
28L97.6Very high97Very high19 Ų1950.9 Ų50.910%0.09926%0.258CS..BIsolated β-bridgetrans-59.2145.8168.6-63.5-174.7000110.3G10 E11 T12 E33 R58 R61 T62G10-L28 VanDerWaalsContact O-CD2 3.26Å; G10-L28 WeakPolarHBondContact O-CD2 3.33Å; E11-L28 WeakPolarHBondContact O-CA 3.46Å; T12-L28 HydrophobicContact CG2-CD2 4.1Å; L28-E33 HydrophobicContact CB-CG 4.15Å; L28-E33 HydrophobicContact CD1-CG 4.4Å; L28-R58 HydrophobicContact CD2-CB 4.26Å; L28-R61 HydrophobicContact CD1-CB 4.06Å; L28-R61 HydrophobicContact CD1-CG 3.7Å; L28-R61 HydrophobicContact CG-CB 4.43Å; L28-R61 HydrophobicContact CG-CG 4.28Å; L28-T62 WeakPolarHBondContact CD1-OG1 3.47Å
29T98.6Very high97Very high24 Ų2445.4 Ų45.415%0.14724%0.239CC..PPolyproline II helixtrans-76.6165.316569.20000109.4E11 T12 Q13 A16 K31 G32 E33E11-T29 HydrophobicContact CG-CG2 4.26Å; E11-T29 PolarHBondContact O-N 3.37Å; E11-T29 PolarHBondContact O-OG1 2.78Å; E11-T29 PolarHBondContact OE1-OG1 3.37Å; T12-T29 VanDerWaalsContact C-CG2 3.44Å; Q13-T29 HydrophobicContact CG-CG2 4.47Å; A16-T29 HydrophobicContact CB-CG2 4.47Å; T29-K31 PolarHBondContact O-N 2.74Å; T29-K31 PolarHBondContact OG1-N 2.96Å; T29-G32 WeakPolarHBondContact O-CA 3.44Å; T29-G32 PolarHBondContact O-N 3.33Å; T29-G32 PolarHBondContact OG1-N 3.21Å; T29-E33 PolarHBondContact O-N 2.84Å
30A98.4Very high96.8Very high83 Ų8341.8 Ų41.869%0.68623%0.226SC*.Hα-helixtrans-55.2-35.9169.900000111.7E33 Q34A30-E33 PolarHBondContact O-N 3.35Å; A30-Q34 WeakPolarHBondContact O-CG 3.45Å; A30-Q34 PolarHBondContact O-N 3.34Å; A30-Q34 VanDerWaalsContact O-N 3.11Å
31K98.2Very high96.8Very high119 Ų11945.3 Ų45.352%0.51725%0.248SC..Hα-helixtrans-66.9-39.4173.3177.9179.1166.5-151.10112E11 T29 Q34 Q35E11-K31 WeakPolarHBondContact OE2-CE 3.27Å; E11-K31 IonicContact OE2-NZ 3.17Å; E11-K31 PolarHBondContact OE2-NZ 2.95Å; T29-K31 PolarHBondContact O-N 2.74Å; T29-K31 PolarHBondContact OG1-N 2.96Å; K31-Q34 PolarHBondContact O-N 3.28Å; K31-Q35 WeakPolarHBondContact O-CG 3.34Å; K31-Q35 PolarHBondContact O-N 3.3Å
32G97.2Very high96.7Very high0 Ų050.1 Ų50.10%027%0.266CS..Hα-helixtrans-61.2-41.1173.600000113.4E11 T29 Q35 A36E11-G32 WeakPolarHBondContact O-CA 3.5Å; T29-G32 WeakPolarHBondContact O-CA 3.44Å; T29-G32 PolarHBondContact O-N 3.33Å; T29-G32 PolarHBondContact OG1-N 3.21Å; G32-Q35 WeakPolarHBondContact O-CB 3.32Å; G32-Q35 PolarHBondContact O-N 3.14Å; G32-A36 PolarHBondContact O-N 3.22Å
33E98.2Very high96.7Very high40 Ų4049.9 Ų49.919%0.18726%0.264CS..Hα-helixtrans-62.4-43173.3-67-83.1153.900111.4L28 T29 A30 Q35 A36 M37 R61 I65L28-E33 HydrophobicContact CB-CG 4.15Å; L28-E33 HydrophobicContact CD1-CG 4.4Å; T29-E33 PolarHBondContact O-N 2.84Å; A30-E33 PolarHBondContact O-N 3.35Å; E33-Q35 VanDerWaalsContact C-N 3.34Å; E33-Q35 PolarHBondContact O-N 3.38Å; E33-A36 WeakPolarHBondContact O-CB 3.41Å; E33-A36 PolarHBondContact O-N 2.93Å; E33-M37 HydrophobicContact CB-CE 4.43Å; E33-M37 WeakPolarHBondContact O-CE 3.35Å; E33-M37 PolarHBondContact O-N 3.28Å; E33-R61 WeakPolarHBondContact OE1-CG 3.4Å; E33-R61 IonicContact OE1-CZ 3.96Å; E33-R61 IonicContact OE1-NE 3.84Å; E33-R61 PolarHBondContact OE1-NE 3.47Å; E33-R61 IonicContact OE1-NH2 3.74Å; E33-R61 IonicContact OE2-CZ 2.65Å; E33-R61 IonicContact OE2-NE 2.99Å; E33-R61 PolarHBondContact OE2-NE 3.34Å; E33-R61 IonicContact OE2-NH2 3.91Å; E33-R61 PolarHBondContact OE2-NH2 3.06Å; E33-I65 WeakPolarHBondContact OE2-CD1 3.42Å
34Q98.1Very high96.6Very high109 Ų10953.7 Ų53.751%0.50928%0.279SS..Hα-helixtrans-62.5-39.8174.5-65.7-62.7-32.600112.5A30 K31 M37 Q38A30-Q34 WeakPolarHBondContact O-CG 3.45Å; A30-Q34 PolarHBondContact O-N 3.34Å; A30-Q34 VanDerWaalsContact O-N 3.11Å; K31-Q34 PolarHBondContact O-N 3.28Å; Q34-M37 VanDerWaalsContact CD-CE 3.42Å; Q34-M37 HydrophobicContact CG-CE 4.26Å; Q34-M37 PolarHBondContact O-N 3.45Å; Q34-Q38 WeakPolarHBondContact O-CG 3.49Å; Q34-Q38 PolarHBondContact O-N 2.95Å
35Q95.8Very high96.5Very high30 Ų3058.6 Ų58.614%0.1430%0.3CS..Hα-helixtrans-61.9-44173.6-71.4167.4-14.400111.5K31 G32 E33 M37 Q38 V39K31-Q35 WeakPolarHBondContact O-CG 3.34Å; K31-Q35 PolarHBondContact O-N 3.3Å; G32-Q35 WeakPolarHBondContact O-CB 3.32Å; G32-Q35 PolarHBondContact O-N 3.14Å; E33-Q35 VanDerWaalsContact C-N 3.34Å; E33-Q35 PolarHBondContact O-N 3.38Å; Q35-M37 VanDerWaalsContact C-N 3.33Å; Q35-M37 PolarHBondContact O-N 3.04Å; Q35-Q38 PolarHBondContact O-N 2.84Å; Q35-V39 WeakPolarHBondContact O-CG2 3.28Å; Q35-V39 PolarHBondContact O-N 3.21Å
36A95.6Very high96.4Very high1 Ų156.6 Ų56.61%0.00829%0.289CS..Hα-helixtrans-60.6-42.2176.500000111.7G32 E33 Q38 V39 A40 T62 I65G32-A36 PolarHBondContact O-N 3.22Å; E33-A36 WeakPolarHBondContact O-CB 3.41Å; E33-A36 PolarHBondContact O-N 2.93Å; A36-Q38 PolarHBondContact O-N 2.78Å; A36-V39 PolarHBondContact O-N 3.29Å; A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 3.32Å; A36-T62 HydrophobicContact CB-CG2 3.82Å; A36-I65 HydrophobicContact CB-CB 4.18Å; A36-I65 HydrophobicContact CB-CD1 3.59Å; A36-I65 HydrophobicContact CB-CG2 4.02Å
37M97.5Very high96.3Very high76 Ų7658 Ų5837%0.37430%0.304SS..Hα-helixtrans-62.9-40175.9-74.5-175.9-84.700112.8E33 Q34 Q35 V39 A40 T41 I65E33-M37 HydrophobicContact CB-CE 4.43Å; E33-M37 WeakPolarHBondContact O-CE 3.35Å; E33-M37 PolarHBondContact O-N 3.28Å; Q34-M37 VanDerWaalsContact CD-CE 3.42Å; Q34-M37 HydrophobicContact CG-CE 4.26Å; Q34-M37 PolarHBondContact O-N 3.45Å; Q35-M37 VanDerWaalsContact C-N 3.33Å; Q35-M37 PolarHBondContact O-N 3.04Å; M37-V39 VanDerWaalsContact C-N 3.35Å; M37-V39 PolarHBondContact O-N 3.49Å; M37-A40 WeakPolarHBondContact O-CB 3.44Å; M37-A40 PolarHBondContact O-N 3.46Å; M37-T41 PolarHBondContact O-N 2.95Å; M37-T41 PolarHBondContact O-OG1 2.87Å; M37-I65 HydrophobicContact CB-CG2 4.41Å; M37-I65 HydrophobicContact CG-CG2 3.65Å
38Q95.9Very high96.1Very high102 Ų10254.7 Ų54.748%0.47728%0.282SS..Hα-helixtrans-63.8-41.4175.3-69.5170.315.600112Q34 Q35 A36 A40 R42Q34-Q38 WeakPolarHBondContact O-CG 3.49Å; Q34-Q38 PolarHBondContact O-N 2.95Å; Q35-Q38 PolarHBondContact O-N 2.84Å; A36-Q38 PolarHBondContact O-N 2.78Å; Q38-A40 VanDerWaalsContact C-N 3.31Å; Q38-R42 PolarHBondContact O-N 3.45Å
39V94.9Very high96Very high17 Ų1756.5 Ų56.510%0.10329%0.294CS..Hα-helixtrans-64.4-40.1173.9175.40000110.7V7 Q35 A36 M37 T41 R42 A43 I66V7-V39 HydrophobicContact CB-CG1 4.5Å; V7-V39 HydrophobicContact CG1-CG1 3.79Å; V7-V39 HydrophobicContact CG1-CG2 4.48Å; V7-V39 HydrophobicContact CG2-CG1 3.83Å; Q35-V39 WeakPolarHBondContact O-CG2 3.28Å; Q35-V39 PolarHBondContact O-N 3.21Å; A36-V39 PolarHBondContact O-N 3.29Å; M37-V39 VanDerWaalsContact C-N 3.35Å; M37-V39 PolarHBondContact O-N 3.49Å; V39-T41 PolarHBondContact O-N 2.96Å; V39-R42 PolarHBondContact O-N 3.37Å; V39-R42 VanDerWaalsContact O-N 3.14Å; V39-A43 WeakPolarHBondContact O-CB 3.43Å; V39-A43 PolarHBondContact O-N 2.97Å; V39-I66 HydrophobicContact CB-CD1 4.37Å; V39-I66 HydrophobicContact CG1-CD1 3.75Å; V39-I66 HydrophobicContact CG1-CG1 4.27Å
40A95.5Very high95.9Very high4 Ų457.4 Ų57.43%0.03330%0.297CS..Hα-helixtrans-59.7-45178.800000112.1A36 M37 Q38 R42 A43 K44 I65 I66 A69A36-A40 WeakPolarHBondContact O-CB 3.45Å; A36-A40 PolarHBondContact O-N 3.32Å; M37-A40 WeakPolarHBondContact O-CB 3.44Å; M37-A40 PolarHBondContact O-N 3.46Å; Q38-A40 VanDerWaalsContact C-N 3.31Å; A40-R42 VanDerWaalsContact C-N 3.31Å; A40-R42 PolarHBondContact O-N 3.41Å; A40-A43 PolarHBondContact O-N 3.01Å; A40-K44 WeakPolarHBondContact O-CB 3.34Å; A40-K44 PolarHBondContact O-N 3.02Å; A40-I65 HydrophobicContact CB-CG2 4.21Å; A40-I66 HydrophobicContact CB-CB 4.37Å; A40-I66 HydrophobicContact CB-CG1 4.1Å; A40-A69 HydrophobicContact CB-CB 3.7Å
41T95.6Very high95.7Very high86 Ų8653.5 Ų53.553%0.52826%0.264SS..Hα-helixtrans-55.5-47.7173.3-55.60000111.1M37 V39 K44 E45M37-T41 PolarHBondContact O-N 2.95Å; M37-T41 PolarHBondContact O-OG1 2.87Å; V39-T41 PolarHBondContact O-N 2.96Å; T41-K44 PolarHBondContact O-N 3.13Å; T41-E45 WeakPolarHBondContact O-CG 3.48Å; T41-E45 PolarHBondContact O-N 2.87Å
42R93.7Very high95.6Very high112 Ų11248.2 Ų48.242%0.42324%0.241SC..Hα-helixtrans-69.4-38.4-179.1-174.555.6179.6165.23.1112.9Q38 V39 A40 K44 E45 L46 I166Q38-R42 PolarHBondContact O-N 3.45Å; V39-R42 PolarHBondContact O-N 3.37Å; V39-R42 VanDerWaalsContact O-N 3.14Å; A40-R42 VanDerWaalsContact C-N 3.31Å; A40-R42 PolarHBondContact O-N 3.41Å; R42-K44 VanDerWaalsContact C-N 3.3Å; R42-K44 PolarHBondContact O-N 3.07Å; R42-E45 WeakPolarHBondContact CD-OE2 3.47Å; R42-E45 IonicContact CZ-OE2 3.64Å; R42-E45 IonicContact NH1-OE2 2.77Å; R42-E45 PolarHBondContact NH1-OE2 2.96Å; R42-E45 PolarHBondContact O-N 3.17Å; R42-L46 HydrophobicContact CG-CD1 4.02Å; R42-L46 WeakPolarHBondContact O-CB 3.45Å; R42-L46 VanDerWaalsContact O-CG 3.27Å; R42-L46 WeakPolarHBondContact O-CG 3.43Å; R42-L46 PolarHBondContact O-N 3.43Å; R42-I166 HydrophobicContact CG-CG2 4.28Å
43A94.1Very high95.6Very high0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-62.2-40.4177.200000111.1V39 A40 L46 G47 I48 I66 L146V39-A43 WeakPolarHBondContact O-CB 3.43Å; V39-A43 PolarHBondContact O-N 2.97Å; A40-A43 PolarHBondContact O-N 3.01Å; A43-L46 CarbonylContact O-C 3.6Å; A43-L46 PolarHBondContact O-N 3.22Å; A43-G47 PolarHBondContact O-N 3.33Å; A43-I48 HydrophobicContact CB-CB 4.42Å; A43-I48 HydrophobicContact CB-CG1 3.87Å; A43-I48 WeakPolarHBondContact O-CG1 3.44Å; A43-I48 PolarHBondContact O-N 3.28Å; A43-I66 HydrophobicContact CB-CG2 3.68Å; A43-L146 HydrophobicContact CB-CD1 4.1Å
44K95.5Very high95.5Very high137 Ų13746.3 Ų46.360%0.59623%0.232SC*.Hα-helixtrans-60.8-47.7174.7-173.2-178.3-172.5169.20112.1A40 T41 R42 L46 G47 A69A40-K44 WeakPolarHBondContact O-CB 3.34Å; A40-K44 PolarHBondContact O-N 3.02Å; T41-K44 PolarHBondContact O-N 3.13Å; R42-K44 VanDerWaalsContact C-N 3.3Å; R42-K44 PolarHBondContact O-N 3.07Å; K44-L46 PolarHBondContact O-N 2.79Å; K44-G47 PolarHBondContact O-N 2.93Å; K44-A69 VanDerWaalsContact CD-O 3.27Å; K44-A69 WeakPolarHBondContact CD-O 3.38Å
45E95.4Very high95.4Very high127 Ų12742.4 Ų42.459%0.59322%0.215SC*.Hα-helixtrans-61.2-33.6176.3-68.5173175.400112.8T41 R42 G47T41-E45 WeakPolarHBondContact O-CG 3.48Å; T41-E45 PolarHBondContact O-N 2.87Å; R42-E45 WeakPolarHBondContact CD-OE2 3.47Å; R42-E45 IonicContact CZ-OE2 3.64Å; R42-E45 IonicContact NH1-OE2 2.77Å; R42-E45 PolarHBondContact NH1-OE2 2.96Å; R42-E45 PolarHBondContact O-N 3.17Å; E45-G47 PolarHBondContact O-N 2.91Å
46L93.7Very high95.5Very high22 Ų2241.6 Ų41.612%0.11521%0.212CC..THydrogen-bonded Turntrans-77.30.5174.9-68.6167.9000112.5Y5 R42 A43 K44 I48 R144 I166Y5-L46 HydrophobicContact CD1-CD1 3.95Å; Y5-L46 HydrophobicContact CE1-CD1 3.63Å; Y5-L46 HydrophobicContact CE1-CD2 4.05Å; Y5-L46 HydrophobicContact CE1-CG 4.28Å; R42-L46 HydrophobicContact CG-CD1 4.02Å; R42-L46 WeakPolarHBondContact O-CB 3.45Å; R42-L46 VanDerWaalsContact O-CG 3.27Å; R42-L46 WeakPolarHBondContact O-CG 3.43Å; R42-L46 PolarHBondContact O-N 3.43Å; A43-L46 CarbonylContact O-C 3.6Å; A43-L46 PolarHBondContact O-N 3.22Å; K44-L46 PolarHBondContact O-N 2.79Å; L46-I48 VanDerWaalsContact C-N 3.27Å; L46-I48 HydrophobicContact CB-CD1 4.43Å; L46-I48 HydrophobicContact CB-CG1 4.36Å; L46-I48 PolarHBondContact O-N 3.24Å; L46-R144 PolarHBondContact O-NE 3.33Å; L46-R144 PolarHBondContact O-NH1 3.26Å; L46-R144 PolarHBondContact O-NH2 3.25Å; L46-I166 HydrophobicContact CD1-CD1 3.53Å; L46-I166 HydrophobicContact CD1-CG1 4.29Å
47G95.2Very high95.6Very high35 Ų3543 Ų4336%0.36123%0.226SC..THydrogen-bonded Turntrans56.240.7179.400000112.8A43 K44 E45 T49 R144A43-G47 PolarHBondContact O-N 3.33Å; K44-G47 PolarHBondContact O-N 2.93Å; E45-G47 PolarHBondContact O-N 2.91Å; G47-T49 WeakPolarHBondContact O-CG2 3.39Å; G47-T49 PolarHBondContact O-N 3.33Å; G47-R144 WeakPolarHBondContact O-CD 3.32Å
48I94.6Very high95.5Very high6 Ų639.4 Ų39.43%0.03121%0.208CC..  trans-58128.3175-66.3-57.5000109.3Y5 A43 L46 H50 I51 R144 L146Y5-I48 HydrophobicContact CD1-CD1 4.46Å; Y5-I48 HydrophobicContact CD2-CD1 3.36Å; Y5-I48 HydrophobicContact CE2-CD1 3.81Å; Y5-I48 HydrophobicContact CG-CD1 3.74Å; A43-I48 HydrophobicContact CB-CB 4.42Å; A43-I48 HydrophobicContact CB-CG1 3.87Å; A43-I48 WeakPolarHBondContact O-CG1 3.44Å; A43-I48 PolarHBondContact O-N 3.28Å; L46-I48 VanDerWaalsContact C-N 3.27Å; L46-I48 HydrophobicContact CB-CD1 4.43Å; L46-I48 HydrophobicContact CB-CG1 4.36Å; L46-I48 PolarHBondContact O-N 3.24Å; I48-H50 WeakPolarHBondContact CG2-O 3.34Å; I48-I51 HydrophobicContact CG2-CG1 4.31Å; I48-R144 WeakPolarHBondContact CA-O 3.44Å; I48-R144 HydrophobicContact CD1-CB 4.42Å; I48-R144 WeakPolarHBondContact CD1-O 2.99Å; I48-L146 HydrophobicContact CD1-CB 4.19Å; I48-L146 HydrophobicContact CG1-CB 4.37Å; I48-L146 HydrophobicContact CG1-CD1 4.21Å; I48-L146 HydrophobicContact CG2-CB 3.68Å; I48-L146 HydrophobicContact CG2-CD1 4.42Å
49T95.5Very high95.5Very high56 Ų5634.6 Ų34.634%0.34419%0.186SC..  trans-105.3-20.1-175.157.20000113.8G47 C72 S143 R144G47-T49 WeakPolarHBondContact O-CG2 3.39Å; G47-T49 PolarHBondContact O-N 3.33Å; T49-C72 VanDerWaalsContact O-CB 3.23Å; T49-C72 WeakPolarHBondContact O-CB 3.41Å; T49-S143 WeakPolarHBondContact OG1-CA 3.45Å; T49-R144 PolarHBondContact N-O 3.41Å; T49-R144 VanDerWaalsContact N-O 3.17Å; T49-R144 PolarHBondContact OG1-N 3.38Å
50H94.6Very high95.6Very high44 Ų4437.7 Ų37.720%0.20420%0.196CC..EExtended strand (participates in β ladder)trans-143140.4-178.6-54.967.8000109.1I48 S143 P145 L146I48-H50 WeakPolarHBondContact CG2-O 3.34Å; H50-S143 PolarHBondContact CE1-OG 2.73Å; H50-P145 HydrophobicContact CB-CB 4.47Å; H50-P145 WeakPolarHBondContact O-CA 3.18Å; H50-L146 PolarHBondContact O-N 2.65Å
51I95.8Very high95.7Very high0 Ų042.5 Ų42.50%021%0.213CC..EExtended strand (participates in β ladder)trans-113122.6167.6-60.3-176.3000108.3I48 A63 I66 A67 D73 I74 I75 L146 H148I48-I51 HydrophobicContact CG2-CG1 4.31Å; I51-A63 HydrophobicContact CG2-CB 3.96Å; I51-I66 HydrophobicContact CD1-CB 3.72Å; I51-I66 HydrophobicContact CD1-CG2 3.49Å; I51-I66 VanDerWaalsContact CD1-CG2 3.49Å; I51-A67 HydrophobicContact CD1-CB 3.83Å; I51-A67 VanDerWaalsContact CD1-N 3.26Å; I51-D73 PolarHBondContact N-O 3.42Å; I51-I74 HydrophobicContact CB-CG1 4.43Å; I51-I74 HydrophobicContact CG2-CG2 4.26Å; I51-I74 CarbonylContact O-C 3.5Å; I51-I74 WeakPolarHBondContact O-CA 3.49Å; I51-I75 PolarHBondContact O-N 2.71Å; I51-L146 WeakPolarHBondContact CA-O 3.24Å; I51-L146 HydrophobicContact CG2-CD2 4.24Å; I51-H148 HydrophobicContact CG2-CB 4.47Å
52I95.7Very high95.7Very high8 Ų838.4 Ų38.44%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-111.5113.2173.5-53.9166.7000106.1I75 D77 L80 C136 L139 P145 L146 L147 H148I52-I75 CarbonylContact C-O 3.57Å; I52-I75 VanDerWaalsContact CA-O 3.3Å; I52-I75 WeakPolarHBondContact CA-O 3.32Å; I52-I75 HydrophobicContact CG1-CB 4.38Å; I52-I75 HydrophobicContact CG1-CD1 4.42Å; I52-D77 HydrophobicContact CG2-CB 4.14Å; I52-L80 HydrophobicContact CB-CD1 4.41Å; I52-L80 HydrophobicContact CG2-CD1 3.72Å; I52-L80 WeakPolarHBondContact O-CD1 3.17Å; I52-C136 VanDerWaalsContact CD1-SG 3.57Å; I52-L139 HydrophobicContact CD1-CD1 4.31Å; I52-P145 HydrophobicContact CD1-CB 4.36Å; I52-L146 PolarHBondContact N-O 2.86Å; I52-L147 HydrophobicContact CB-CD1 4.03Å; I52-L147 HydrophobicContact CB-CG 4.45Å; I52-L147 HydrophobicContact CD1-CD1 3.85Å; I52-L147 HydrophobicContact CG1-CD1 4.46Å; I52-L147 CarbonylContact O-C 3.48Å; I52-L147 WeakPolarHBondContact O-CA 3.39Å; I52-H148 PolarHBondContact O-N 3.38Å
53S96.1Very high95.9Very high0 Ų033.1 Ų33.10%017%0.168CC..EExtended strand (participates in β ladder)trans-123.8145.9-169.1-176.20000112.5I75 F76 D77 H148S53-I75 PolarHBondContact N-O 2.9Å; S53-F76 CarbonylContact O-C 3.55Å; S53-F76 VanDerWaalsContact O-CA 3.32Å; S53-F76 WeakPolarHBondContact O-CA 3.3Å; S53-D77 PolarHBondContact O-N 3.28Å; S53-H148 CarbonylContact C-O 3.51Å; S53-H148 VanDerWaalsContact CA-O 3.26Å; S53-H148 WeakPolarHBondContact CA-O 3.41Å; S53-H148 PolarHBondContact OG-ND1 3.19Å
54S96.7Very high96.1Very high0 Ų037.1 Ų37.10%019%0.187CC..  trans-52.7145.3156.2176.70000110.5L56 T59 L80 R81 H148S54-L56 VanDerWaalsContact C-N 3.32Å; S54-L56 PolarHBondContact OG-N 2.8Å; S54-T59 VanDerWaalsContact CB-OG1 3.31Å; S54-T59 WeakPolarHBondContact CB-OG1 3.46Å; S54-T59 WeakPolarHBondContact O-CB 3.2Å; S54-T59 PolarHBondContact O-OG1 3.02Å; S54-T59 PolarHBondContact OG-OG1 3.32Å; S54-L80 WeakPolarHBondContact CB-O 3.43Å; S54-R81 WeakPolarHBondContact OG-CA 3.46Å; S54-H148 PolarHBondContact N-O 3.19Å
55D96.9Very high96.2Very high27 Ų2731.2 Ų31.214%0.14416%0.161CC..  trans-90.39.7-179.477.4-44.1000112.4R60 F76 R81D55-R60 VanDerWaalsContact CB-NH2 3.34Å; D55-R60 PolarHBondContact O-NE 2.66Å; D55-R60 PolarHBondContact O-NH2 3.38Å; D55-R60 IonicContact OD2-NH2 2.8Å; D55-F76 HydrophobicContact CB-CB 4.12Å; D55-F76 HydrophobicContact CB-CD1 4.49Å; D55-R81 WeakPolarHBondContact OD1-CG 3.41Å; D55-R81 IonicContact OD1-CZ 3.44Å; D55-R81 IonicContact OD1-NE 2.85Å; D55-R81 PolarHBondContact OD1-NE 3.37Å; D55-R81 IonicContact OD1-NH2 3.31Å; D55-R81 PolarHBondContact OD1-NH2 3.14Å; D55-R81 IonicContact OD2-CZ 3.63Å; D55-R81 IonicContact OD2-NE 3.86Å; D55-R81 IonicContact OD2-NH2 2.72Å; D55-R81 PolarHBondContact OD2-NH2 2.66Å
56L97.3Very high96.2Very high13 Ų1325.1 Ų25.17%0.06813%0.133CC..SBendtrans-68.5143.1168.5-60.8171.1000109.2Q23 S54 R58 T59 R60 R81Q23-L56 WeakPolarHBondContact O-CD2 3.24Å; S54-L56 VanDerWaalsContact C-N 3.32Å; S54-L56 PolarHBondContact OG-N 2.8Å; L56-R58 PolarHBondContact O-N 2.91Å; L56-T59 WeakPolarHBondContact CA-OG1 3.35Å; L56-T59 WeakPolarHBondContact CB-OG1 3.35Å; L56-T59 PolarHBondContact N-OG1 3.02Å; L56-T59 CarbonylContact O-C 3.58Å; L56-T59 WeakPolarHBondContact O-CA 3.4Å; L56-T59 PolarHBondContact O-N 3.06Å; L56-T59 PolarHBondContact O-OG1 3.4Å; L56-R60 WeakPolarHBondContact O-CG 3.39Å; L56-R60 PolarHBondContact O-N 3.39Å; L56-R81 HydrophobicContact CD1-CB 4.21Å; L56-R81 HydrophobicContact CD1-CG 4.16Å; L56-R81 HydrophobicContact CD2-CG 4.36Å; L56-R81 HydrophobicContact CG-CG 4.02Å
57G97.2Very high96.4Very high30 Ų3024.5 Ų24.531%0.30913%0.131SC..Hα-helixtrans-56.6-43.7-17500000113.1D25 T59 R60 R61D25-G57 WeakPolarHBondContact OD2-CA 3.39Å; D25-G57 PolarHBondContact OD2-N 2.66Å; G57-T59 PolarHBondContact O-N 2.86Å; G57-R60 PolarHBondContact O-N 3.24Å; G57-R61 PolarHBondContact O-N 2.99Å
58R95.7Very high96.6Very high2 Ų230.8 Ų30.81%0.00815%0.151CC..Hα-helixtrans-57.5-34.6172.466.6-174.2172.4-81.511.7113.5T12 G22 S24 D25 L28 L56 T62 Q150T12-R58 HydrophobicContact CG2-CB 3.68Å; T12-R58 VanDerWaalsContact CG2-CD 3.48Å; T12-R58 HydrophobicContact CG2-CG 4.22Å; G22-R58 PolarHBondContact O-NH2 2.98Å; S24-R58 PolarHBondContact O-NH1 3.12Å; S24-R58 PolarHBondContact O-NH2 3.06Å; D25-R58 WeakPolarHBondContact OD1-CB 3.26Å; D25-R58 WeakPolarHBondContact OD1-CG 3.34Å; D25-R58 IonicContact OD1-CZ 3.7Å; D25-R58 PolarHBondContact OD1-N 2.76Å; D25-R58 IonicContact OD1-NH1 3.81Å; D25-R58 PolarHBondContact OD1-NH1 3.39Å; D25-R58 PolarHBondContact OD2-N 2.79Å; L28-R58 HydrophobicContact CD2-CB 4.26Å; L56-R58 PolarHBondContact O-N 2.91Å; R58-T62 PolarHBondContact O-N 2.78Å; R58-T62 PolarHBondContact O-OG1 3.34Å; R58-T62 VanDerWaalsContact O-OG1 3.13Å; R58-Q150 VanDerWaalsContact CZ-OE1 3.27Å; R58-Q150 VanDerWaalsContact NE-CD 3.26Å
59T95.8Very high96.7Very high0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-79.9-39.1177.939.80000112.2H9 S54 L56 G57 R61 T62 A63 H148 Q150H9-T59 HydrophobicContact CB-CG2 3.89Å; S54-T59 VanDerWaalsContact CB-OG1 3.31Å; S54-T59 WeakPolarHBondContact CB-OG1 3.46Å; S54-T59 WeakPolarHBondContact O-CB 3.2Å; S54-T59 PolarHBondContact O-OG1 3.02Å; S54-T59 PolarHBondContact OG-OG1 3.32Å; L56-T59 WeakPolarHBondContact CA-OG1 3.35Å; L56-T59 WeakPolarHBondContact CB-OG1 3.35Å; L56-T59 PolarHBondContact N-OG1 3.02Å; L56-T59 CarbonylContact O-C 3.58Å; L56-T59 WeakPolarHBondContact O-CA 3.4Å; L56-T59 PolarHBondContact O-N 3.06Å; L56-T59 PolarHBondContact O-OG1 3.4Å; G57-T59 PolarHBondContact O-N 2.86Å; T59-R61 VanDerWaalsContact C-N 3.33Å; T59-R61 PolarHBondContact O-N 2.91Å; T59-T62 PolarHBondContact O-N 3.42Å; T59-A63 WeakPolarHBondContact O-CB 3.4Å; T59-A63 PolarHBondContact O-N 2.99Å; T59-H148 WeakPolarHBondContact CA-CE1 3.42Å; T59-H148 PolarHBondContact O-CE1 3.33Å; T59-H148 PolarHBondContact O-ND1 2.83Å; T59-H148 VanDerWaalsContact O-ND1 3.13Å; T59-Q150 HydrophobicContact CG2-CG 4.06Å
60R97Very high96.8Very high83 Ų8330.7 Ų30.731%0.31316%0.155SC..Hα-helixtrans-56.1-49.7173.5-64.8-170.6-154.6-91.12.6110.9D55 L56 G57 T62 A63 E64 F76D55-R60 VanDerWaalsContact CB-NH2 3.34Å; D55-R60 PolarHBondContact O-NE 2.66Å; D55-R60 PolarHBondContact O-NH2 3.38Å; D55-R60 IonicContact OD2-NH2 2.8Å; L56-R60 WeakPolarHBondContact O-CG 3.39Å; L56-R60 PolarHBondContact O-N 3.39Å; G57-R60 PolarHBondContact O-N 3.24Å; R60-T62 PolarHBondContact O-N 2.73Å; R60-A63 CarbonylContact O-C 3.55Å; R60-A63 WeakPolarHBondContact O-CB 3.48Å; R60-A63 PolarHBondContact O-N 3.13Å; R60-A63 VanDerWaalsContact O-N 3.07Å; R60-E64 VanDerWaalsContact O-CG 3.32Å; R60-E64 WeakPolarHBondContact O-CG 3.45Å; R60-E64 PolarHBondContact O-N 3.03Å; R60-F76 HydrophobicContact CB-CE1 4.04Å; R60-F76 HydrophobicContact CB-CZ 4.17Å; R60-F76 HydrophobicContact CG-CD1 4.16Å; R60-F76 HydrophobicContact CG-CE1 3.53Å; R60-F76 HydrophobicContact CG-CZ 3.82Å
61R97.4Very high96.9Very high104 Ų10432 Ų3239%0.39218%0.181SC..Hα-helixtrans-61.5-43.1-176.5-177.658.9-170.9153.67.4112.7L28 E33 G57 T59 E64 I65L28-R61 HydrophobicContact CD1-CB 4.06Å; L28-R61 HydrophobicContact CD1-CG 3.7Å; L28-R61 HydrophobicContact CG-CB 4.43Å; L28-R61 HydrophobicContact CG-CG 4.28Å; E33-R61 WeakPolarHBondContact OE1-CG 3.4Å; E33-R61 IonicContact OE1-CZ 3.96Å; E33-R61 IonicContact OE1-NE 3.84Å; E33-R61 PolarHBondContact OE1-NE 3.47Å; E33-R61 IonicContact OE1-NH2 3.74Å; E33-R61 IonicContact OE2-CZ 2.65Å; E33-R61 IonicContact OE2-NE 2.99Å; E33-R61 PolarHBondContact OE2-NE 3.34Å; E33-R61 IonicContact OE2-NH2 3.91Å; E33-R61 PolarHBondContact OE2-NH2 3.06Å; G57-R61 PolarHBondContact O-N 2.99Å; T59-R61 VanDerWaalsContact C-N 3.33Å; T59-R61 PolarHBondContact O-N 2.91Å; R61-E64 IonicContact NH1-OE2 3.4Å; R61-E64 PolarHBondContact O-N 3.32Å; R61-I65 HydrophobicContact CG-CD1 4.44Å; R61-I65 WeakPolarHBondContact O-CD1 3.49Å; R61-I65 WeakPolarHBondContact O-CG1 3.41Å; R61-I65 PolarHBondContact O-N 3.26Å
62T96.3Very high96.9Very high1 Ų133.1 Ų33.11%0.00619%0.188CC..Hα-helixtrans-65-41.8174.6-56.40000111.1G10 L28 A36 R58 T59 R60 I65 I66 H148G10-T62 PolarHBondContact N-OG1 2.94Å; L28-T62 WeakPolarHBondContact CD1-OG1 3.47Å; A36-T62 HydrophobicContact CB-CG2 3.82Å; R58-T62 PolarHBondContact O-N 2.78Å; R58-T62 PolarHBondContact O-OG1 3.34Å; R58-T62 VanDerWaalsContact O-OG1 3.13Å; T59-T62 PolarHBondContact O-N 3.42Å; R60-T62 PolarHBondContact O-N 2.73Å; T62-I65 PolarHBondContact O-N 2.76Å; T62-I66 HydrophobicContact CG2-CD1 3.87Å; T62-I66 VanDerWaalsContact O-CG1 3.32Å; T62-I66 WeakPolarHBondContact O-CG1 3.31Å; T62-I66 PolarHBondContact O-N 2.68Å; T62-H148 VanDerWaalsContact CB-CE1 3.45Å; T62-H148 WeakPolarHBondContact CB-CE1 3.33Å; T62-H148 VanDerWaalsContact CG2-NE2 3.34Å; T62-H148 WeakPolarHBondContact CG2-NE2 3.24Å
63A97Very high96.8Very high0 Ų039.5 Ų39.50%022%0.222CC..Hα-helixtrans-63.6-40.1178.700000112.4I51 T59 R60 I65 I66 A67 I74I51-A63 HydrophobicContact CG2-CB 3.96Å; T59-A63 WeakPolarHBondContact O-CB 3.4Å; T59-A63 PolarHBondContact O-N 2.99Å; R60-A63 CarbonylContact O-C 3.55Å; R60-A63 WeakPolarHBondContact O-CB 3.48Å; R60-A63 PolarHBondContact O-N 3.13Å; R60-A63 VanDerWaalsContact O-N 3.07Å; A63-I65 PolarHBondContact O-N 3.11Å; A63-I66 PolarHBondContact O-N 2.74Å; A63-A67 WeakPolarHBondContact O-CB 3.4Å; A63-A67 PolarHBondContact O-N 2.96Å; A63-I74 HydrophobicContact CB-CD1 4.05Å; A63-I74 HydrophobicContact CB-CG2 4.16Å
64E98.1Very high96.8Very high84 Ų8441.5 Ų41.539%0.39323%0.233SC..Hα-helixtrans-58.2-46.6175.1-73.6163.9-174.500112.3R60 R61 I66 A67 Q68 I74R60-E64 VanDerWaalsContact O-CG 3.32Å; R60-E64 WeakPolarHBondContact O-CG 3.45Å; R60-E64 PolarHBondContact O-N 3.03Å; R61-E64 IonicContact NH1-OE2 3.4Å; R61-E64 PolarHBondContact O-N 3.32Å; E64-I66 VanDerWaalsContact C-N 3.31Å; E64-I66 PolarHBondContact O-N 2.87Å; E64-A67 PolarHBondContact O-N 2.61Å; E64-Q68 WeakPolarHBondContact O-CB 3.26Å; E64-Q68 PolarHBondContact O-N 2.77Å; E64-I74 HydrophobicContact CB-CD1 4.47Å; E64-I74 HydrophobicContact CG-CD1 3.99Å
65I97.9Very high96.8Very high13 Ų1345.5 Ų45.57%0.06725%0.253CS..Hα-helixtrans-61.2-42.3178.4-64.9159.5000110.8E33 A36 M37 A40 R61 T62 A63 A69E33-I65 WeakPolarHBondContact OE2-CD1 3.42Å; A36-I65 HydrophobicContact CB-CB 4.18Å; A36-I65 HydrophobicContact CB-CD1 3.59Å; A36-I65 HydrophobicContact CB-CG2 4.02Å; M37-I65 HydrophobicContact CB-CG2 4.41Å; M37-I65 HydrophobicContact CG-CG2 3.65Å; A40-I65 HydrophobicContact CB-CG2 4.21Å; R61-I65 HydrophobicContact CG-CD1 4.44Å; R61-I65 WeakPolarHBondContact O-CD1 3.49Å; R61-I65 WeakPolarHBondContact O-CG1 3.41Å; R61-I65 PolarHBondContact O-N 3.26Å; T62-I65 PolarHBondContact O-N 2.76Å; A63-I65 PolarHBondContact O-N 3.11Å; I65-A69 PolarHBondContact O-N 3.25Å
66I96.7Very high96.8Very high0 Ų048.3 Ų48.30%026%0.264CS..Hα-helixtrans-71.1-44.8179.5-60167000110.6V7 V39 A40 A43 I51 T62 A63 E64 Q68 A69 C70 L146V7-I66 HydrophobicContact CG1-CD1 4.17Å; V39-I66 HydrophobicContact CB-CD1 4.37Å; V39-I66 HydrophobicContact CG1-CD1 3.75Å; V39-I66 HydrophobicContact CG1-CG1 4.27Å; A40-I66 HydrophobicContact CB-CB 4.37Å; A40-I66 HydrophobicContact CB-CG1 4.1Å; A43-I66 HydrophobicContact CB-CG2 3.68Å; I51-I66 HydrophobicContact CD1-CB 3.72Å; I51-I66 HydrophobicContact CD1-CG2 3.49Å; I51-I66 VanDerWaalsContact CD1-CG2 3.49Å; T62-I66 HydrophobicContact CG2-CD1 3.87Å; T62-I66 VanDerWaalsContact O-CG1 3.32Å; T62-I66 WeakPolarHBondContact O-CG1 3.31Å; T62-I66 PolarHBondContact O-N 2.68Å; A63-I66 PolarHBondContact O-N 2.74Å; E64-I66 VanDerWaalsContact C-N 3.31Å; E64-I66 PolarHBondContact O-N 2.87Å; I66-Q68 VanDerWaalsContact C-N 3.32Å; I66-Q68 PolarHBondContact O-N 2.73Å; I66-A69 PolarHBondContact O-N 3.33Å; I66-A69 VanDerWaalsContact O-N 3.15Å; I66-C70 PolarHBondContact O-N 2.85Å; I66-C70 PolarHBondContact O-SG 2.85Å; I66-C70 VanDerWaalsContact O-SG 3.39Å; I66-L146 HydrophobicContact CG2-CD1 4.13Å
67A97.7Very high96.8Very high9 Ų948.6 Ų48.67%0.07427%0.266CS..Hα-helixtrans-58-45.3179.200000111.4I51 A63 E64 A69 C70 G71 C72 I74I51-A67 HydrophobicContact CD1-CB 3.83Å; I51-A67 VanDerWaalsContact CD1-N 3.26Å; A63-A67 WeakPolarHBondContact O-CB 3.4Å; A63-A67 PolarHBondContact O-N 2.96Å; E64-A67 PolarHBondContact O-N 2.61Å; A67-A69 VanDerWaalsContact C-N 3.29Å; A67-A69 PolarHBondContact O-N 3.01Å; A67-C70 PolarHBondContact O-N 3.33Å; A67-G71 PolarHBondContact O-N 3.25Å; A67-C72 WeakPolarHBondContact CB-O 3.48Å; A67-C72 PolarHBondContact O-N 2.94Å; A67-I74 HydrophobicContact CB-CD1 3.71Å; A67-I74 HydrophobicContact CB-CG1 3.55Å
68Q97.9Very high96.8Very high166 Ų16650.3 Ų50.378%0.77627%0.273SS*.Hα-helixtrans-59-39.8177.8-173.9179.44.200112E64 I66E64-Q68 WeakPolarHBondContact O-CB 3.26Å; E64-Q68 PolarHBondContact O-N 2.77Å; I66-Q68 VanDerWaalsContact C-N 3.32Å; I66-Q68 PolarHBondContact O-N 2.73Å
69A97.3Very high96.7Very high32 Ų3254.2 Ų54.226%0.26429%0.287SS..Hα-helixtrans-73.4-36.6178.500000113A40 K44 I65 I66 A67A40-A69 HydrophobicContact CB-CB 3.7Å; K44-A69 VanDerWaalsContact CD-O 3.27Å; K44-A69 WeakPolarHBondContact CD-O 3.38Å; I65-A69 PolarHBondContact O-N 3.25Å; I66-A69 PolarHBondContact O-N 3.33Å; I66-A69 VanDerWaalsContact O-N 3.15Å; A67-A69 VanDerWaalsContact C-N 3.29Å; A67-A69 PolarHBondContact O-N 3.01Å
70C96.8Very high96.7Very high29 Ų2954.4 Ų54.420%0.19629%0.288CS..Hα-helixtrans-80.7-22.4-179.7-66.10000113.3I66 A67 C72I66-C70 PolarHBondContact O-N 2.85Å; I66-C70 PolarHBondContact O-SG 2.85Å; I66-C70 VanDerWaalsContact O-SG 3.39Å; A67-C70 PolarHBondContact O-N 3.33Å; C70-C72 VanDerWaalsContact CB-SG 3.52Å
71G97.4Very high96.7Very high72 Ų7254 Ų5474%0.74229%0.287SS*.THydrogen-bonded Turntrans68.338.7-173.800000112.7A67A67-G71 PolarHBondContact O-N 3.25Å
72C95.8Very high96.5Very high23 Ų2350.1 Ų50.116%0.15527%0.273CS..  trans-130.2160.1-17963.30000112.6T49 A67 C70T49-C72 VanDerWaalsContact O-CB 3.23Å; T49-C72 WeakPolarHBondContact O-CB 3.41Å; A67-C72 WeakPolarHBondContact CB-O 3.48Å; A67-C72 PolarHBondContact O-N 2.94Å; C70-C72 VanDerWaalsContact CB-SG 3.52Å
73D93.7Very high96.4Very high141 Ų14150.3 Ų50.375%0.75427%0.274SS*.  trans-77.1158.6-179.9-64.8-38.9000112.6I51I51-D73 PolarHBondContact N-O 3.42Å
74I97.1Very high96.4Very high43 Ų4352.5 Ų52.522%0.22129%0.286CS..EExtended strand (participates in β ladder)trans-107.9127175.5-51.4168.4000109.3I51 A63 E64 A67 F76I51-I74 HydrophobicContact CB-CG1 4.43Å; I51-I74 HydrophobicContact CG2-CG2 4.26Å; I51-I74 CarbonylContact O-C 3.5Å; I51-I74 WeakPolarHBondContact O-CA 3.49Å; A63-I74 HydrophobicContact CB-CD1 4.05Å; A63-I74 HydrophobicContact CB-CG2 4.16Å; E64-I74 HydrophobicContact CB-CD1 4.47Å; E64-I74 HydrophobicContact CG-CD1 3.99Å; A67-I74 HydrophobicContact CB-CD1 3.71Å; A67-I74 HydrophobicContact CB-CG1 3.55Å; I74-F76 HydrophobicContact CB-CZ 4.3Å; I74-F76 HydrophobicContact CD1-CZ 4.38Å; I74-F76 HydrophobicContact CG2-CD1 3.93Å; I74-F76 HydrophobicContact CG2-CE1 3.5Å; I74-F76 HydrophobicContact CG2-CE2 4.28Å; I74-F76 HydrophobicContact CG2-CG 4.44Å; I74-F76 HydrophobicContact CG2-CZ 3.72Å
75I96.6Very high96.3Very high83 Ų8349.6 Ų49.643%0.42627%0.273SS..EExtended strand (participates in β ladder)trans-100.7113.9169.8-58.5168.2000107.2I51 I52 S53I51-I75 PolarHBondContact O-N 2.71Å; I52-I75 CarbonylContact C-O 3.57Å; I52-I75 VanDerWaalsContact CA-O 3.3Å; I52-I75 WeakPolarHBondContact CA-O 3.32Å; I52-I75 HydrophobicContact CG1-CB 4.38Å; I52-I75 HydrophobicContact CG1-CD1 4.42Å; S53-I75 PolarHBondContact N-O 2.9Å
76F97Very high96.3Very high87 Ų8749.6 Ų49.638%0.38228%0.276SS..EExtended strand (participates in β ladder)trans-84.1131.4175.5-67.4-59.6000111.3S53 D55 R60 I74S53-F76 CarbonylContact O-C 3.55Å; S53-F76 VanDerWaalsContact O-CA 3.32Å; S53-F76 WeakPolarHBondContact O-CA 3.3Å; D55-F76 HydrophobicContact CB-CB 4.12Å; D55-F76 HydrophobicContact CB-CD1 4.49Å; R60-F76 HydrophobicContact CB-CE1 4.04Å; R60-F76 HydrophobicContact CB-CZ 4.17Å; R60-F76 HydrophobicContact CG-CD1 4.16Å; R60-F76 HydrophobicContact CG-CE1 3.53Å; R60-F76 HydrophobicContact CG-CZ 3.82Å; I74-F76 HydrophobicContact CB-CZ 4.3Å; I74-F76 HydrophobicContact CD1-CZ 4.38Å; I74-F76 HydrophobicContact CG2-CD1 3.93Å; I74-F76 HydrophobicContact CG2-CE1 3.5Å; I74-F76 HydrophobicContact CG2-CE2 4.28Å; I74-F76 HydrophobicContact CG2-CG 4.44Å; I74-F76 HydrophobicContact CG2-CZ 3.72Å
77D96.3Very high96.3Very high19 Ų1952.4 Ų52.410%0.10229%0.293CS..  trans-136.3113.1-177.6-166.4-24.3000110.7I52 S53 R79 L80I52-D77 HydrophobicContact CG2-CB 4.14Å; S53-D77 PolarHBondContact O-N 3.28Å; D77-R79 PolarHBondContact O-N 3.41Å; D77-R79 WeakPolarHBondContact OD1-CB 3.26Å; D77-R79 VanDerWaalsContact OD1-CG 3.31Å; D77-R79 WeakPolarHBondContact OD1-CG 3.14Å; D77-R79 IonicContact OD1-CZ 3.63Å; D77-R79 PolarHBondContact OD1-N 2.71Å; D77-R79 IonicContact OD1-NE 3.67Å; D77-R79 PolarHBondContact OD1-NE 3.42Å; D77-R79 IonicContact OD1-NH2 2.71Å; D77-R79 IonicContact OD2-CZ 3.47Å; D77-R79 VanDerWaalsContact OD2-CZ 3.26Å; D77-R79 IonicContact OD2-NE 2.74Å; D77-R79 PolarHBondContact OD2-NE 3.09Å; D77-R79 VanDerWaalsContact OD2-NE 3.09Å; D77-R79 IonicContact OD2-NH2 3.34Å; D77-R79 PolarHBondContact OD2-NH2 3.22Å; D77-L80 HydrophobicContact CB-CD1 4.26Å; D77-L80 HydrophobicContact CB-CG 4.32Å; D77-L80 WeakPolarHBondContact O-CB 3.34Å; D77-L80 PolarHBondContact O-N 2.7Å; D77-L80 VanDerWaalsContact O-N 3.09Å
78S96.5Very high96.4Very high66 Ų6652 Ų5246%0.46229%0.289SS..G310 helixtrans-65-20.7179.958.60000112.7L80 R81S78-L80 PolarHBondContact O-N 3.09Å; S78-R81 WeakPolarHBondContact O-CB 3.21Å; S78-R81 WeakPolarHBondContact O-CG 3.39Å; S78-R81 PolarHBondContact O-N 2.65Å; S78-R81 VanDerWaalsContact O-N 3.14Å
79R95.5Very high96.4Very high83 Ų8345.5 Ų45.531%0.31326%0.259SS..G310 helixtrans-67.3-13.1174.7-59.3175-67.8171.24.6112.8D77 R128 A131 A132 S135D77-R79 PolarHBondContact O-N 3.41Å; D77-R79 WeakPolarHBondContact OD1-CB 3.26Å; D77-R79 VanDerWaalsContact OD1-CG 3.31Å; D77-R79 WeakPolarHBondContact OD1-CG 3.14Å; D77-R79 IonicContact OD1-CZ 3.63Å; D77-R79 PolarHBondContact OD1-N 2.71Å; D77-R79 IonicContact OD1-NE 3.67Å; D77-R79 PolarHBondContact OD1-NE 3.42Å; D77-R79 IonicContact OD1-NH2 2.71Å; D77-R79 IonicContact OD2-CZ 3.47Å; D77-R79 VanDerWaalsContact OD2-CZ 3.26Å; D77-R79 IonicContact OD2-NE 2.74Å; D77-R79 PolarHBondContact OD2-NE 3.09Å; D77-R79 VanDerWaalsContact OD2-NE 3.09Å; D77-R79 IonicContact OD2-NH2 3.34Å; D77-R79 PolarHBondContact OD2-NH2 3.22Å; R79-R128 HydrophobicContact CB-CB 4.16Å; R79-R128 WeakPolarHBondContact CB-O 3.4Å; R79-R128 HydrophobicContact CG-CB 4.4Å; R79-R128 PolarHBondContact O-NH1 2.82Å; R79-A131 VanDerWaalsContact NH1-C 3.33Å; R79-A131 PolarHBondContact NH1-O 3.38Å; R79-A132 HydrophobicContact CB-CB 4Å; R79-S135 PolarHBondContact NH2-OG 3.37Å
80L94.9Very high96.4Very high4 Ų449.6 Ų49.62%0.02127%0.271CS..G310 helixtrans-94.51.6175.1-64.5178.1000114.3I52 S54 D77 S78 A132 L147I52-L80 HydrophobicContact CB-CD1 4.41Å; I52-L80 HydrophobicContact CG2-CD1 3.72Å; I52-L80 WeakPolarHBondContact O-CD1 3.17Å; S54-L80 WeakPolarHBondContact CB-O 3.43Å; D77-L80 HydrophobicContact CB-CD1 4.26Å; D77-L80 HydrophobicContact CB-CG 4.32Å; D77-L80 WeakPolarHBondContact O-CB 3.34Å; D77-L80 PolarHBondContact O-N 2.7Å; D77-L80 VanDerWaalsContact O-N 3.09Å; S78-L80 PolarHBondContact O-N 3.09Å; L80-A132 HydrophobicContact CD2-CB 3.65Å; L80-A132 HydrophobicContact CG-CB 3.99Å; L80-L147 HydrophobicContact CD1-CD2 4.37Å; L80-L147 HydrophobicContact CD1-CG 4.08Å; L80-L147 HydrophobicContact CD2-CD2 3.67Å; L80-L147 HydrophobicContact CD2-CG 4.27Å
81R96.1Very high96.4Very high76 Ų7652 Ų5229%0.28728%0.276SS..SBendtrans-54155.3174.3-73.1-178.4178.8-178.63.4111.7Q23 S54 D55 L56 S78 R128Q23-R81 HydrophobicContact CG-CB 4.32Å; S54-R81 WeakPolarHBondContact OG-CA 3.46Å; D55-R81 WeakPolarHBondContact OD1-CG 3.41Å; D55-R81 IonicContact OD1-CZ 3.44Å; D55-R81 IonicContact OD1-NE 2.85Å; D55-R81 PolarHBondContact OD1-NE 3.37Å; D55-R81 IonicContact OD1-NH2 3.31Å; D55-R81 PolarHBondContact OD1-NH2 3.14Å; D55-R81 IonicContact OD2-CZ 3.63Å; D55-R81 IonicContact OD2-NE 3.86Å; D55-R81 IonicContact OD2-NH2 2.72Å; D55-R81 PolarHBondContact OD2-NH2 2.66Å; L56-R81 HydrophobicContact CD1-CB 4.21Å; L56-R81 HydrophobicContact CD1-CG 4.16Å; L56-R81 HydrophobicContact CD2-CG 4.36Å; L56-R81 HydrophobicContact CG-CG 4.02Å; S78-R81 WeakPolarHBondContact O-CB 3.21Å; S78-R81 WeakPolarHBondContact O-CG 3.39Å; S78-R81 PolarHBondContact O-N 2.65Å; S78-R81 VanDerWaalsContact O-N 3.14Å; R81-R128 VanDerWaalsContact O-CZ 3.26Å; R81-R128 PolarHBondContact O-NH1 2.99Å; R81-R128 PolarHBondContact O-NH2 2.92Å
82E94.1Very high96.4Very high21 Ų2151.8 Ų51.810%0.09826%0.255CS..PPolyproline II helixtrans-62.3161171.3-168.756.9-58.800110.6G22 Q23 N84 R128 Q150 S151 A152 A153G22-E82 WeakPolarHBondContact O-CB 3.42Å; Q23-E82 WeakPolarHBondContact CG-O 3.48Å; Q23-E82 PolarHBondContact NE2-O 3.05Å; E82-N84 PolarHBondContact O-N 3.3Å; E82-R128 PolarHBondContact O-NH2 3.34Å; E82-Q150 HydrophobicContact CB-CB 3.64Å; E82-Q150 HydrophobicContact CB-CG 3.85Å; E82-Q150 HydrophobicContact CG-CB 3.84Å; E82-Q150 WeakPolarHBondContact OE2-CB 3.01Å; E82-S151 PolarHBondContact OE2-N 3.44Å; E82-A152 WeakPolarHBondContact OE1-CB 3.4Å; E82-A152 PolarHBondContact OE1-N 3.13Å; E82-A152 PolarHBondContact OE2-N 3.47Å; E82-A153 PolarHBondContact OE1-N 3.21Å
83L94.5Very high96.4Very high5 Ų553.2 Ų53.23%0.02626%0.261CS..PPolyproline II helixtrans-46.3129.1167.4-172.863000110.5G22 M85 L107 E120 M122 L125 A152G22-L83 WeakPolarHBondContact CA-O 3.04Å; L83-M85 HydrophobicContact CD2-SD 3.97Å; L83-M85 HydrophobicContact CG-SD 4.27Å; L83-M85 PolarHBondContact O-N 2.75Å; L83-M85 VanDerWaalsContact O-N 3.15Å; L83-L107 HydrophobicContact CD2-CD1 4.11Å; L83-L107 HydrophobicContact CD2-CD2 3.64Å; L83-L107 HydrophobicContact CD2-CG 4.16Å; L83-E120 WeakPolarHBondContact CA-OE2 3.16Å; L83-E120 HydrophobicContact CD1-CB 3.78Å; L83-E120 HydrophobicContact CD1-CG 3.79Å; L83-M122 HydrophobicContact CD2-SD 3.93Å; L83-L125 HydrophobicContact CB-CD2 4.18Å; L83-L125 HydrophobicContact CD1-CB 3.81Å; L83-L125 HydrophobicContact CD1-CD2 3.98Å; L83-L125 HydrophobicContact CD1-CG 4.36Å; L83-A152 HydrophobicContact CB-CB 4.06Å; L83-A152 HydrophobicContact CD2-CB 4.47Å
84N96.4Very high96.5Very high46 Ų4651.9 Ų51.925%0.24625%0.254CS..  trans-67.1113.4171176.85.3000108.7Q23 E82 G86 E89 E118 G119 E120Q23-N84 HydrophobicContact CG-CB 4.24Å; E82-N84 PolarHBondContact O-N 3.3Å; N84-G86 VanDerWaalsContact C-N 3.26Å; N84-G86 WeakPolarHBondContact OD1-CA 3.31Å; N84-G86 PolarHBondContact OD1-N 2.83Å; N84-E89 PolarHBondContact OD1-OE1 3.13Å; N84-E118 PolarHBondContact ND2-O 3.04Å; N84-G119 VanDerWaalsContact O-CA 3.31Å; N84-G119 WeakPolarHBondContact O-CA 3.48Å; N84-E120 HydrophobicContact CB-CB 3.72Å; N84-E120 PolarHBondContact N-OE2 3.05Å; N84-E120 PolarHBondContact O-N 3.47Å
85M96.3Very high96.5Very high24 Ų2452.4 Ų52.412%0.11826%0.261CS..  trans-9210.8-177.6-62.7-72.2-77.200111.9I20 L83 V87 L88 E89 L107 I116I20-M85 HydrophobicContact CG2-CB 3.67Å; I20-M85 HydrophobicContact CG2-CE 3.8Å; I20-M85 HydrophobicContact CG2-CG 3.78Å; L83-M85 HydrophobicContact CD2-SD 3.97Å; L83-M85 HydrophobicContact CG-SD 4.27Å; L83-M85 PolarHBondContact O-N 2.75Å; L83-M85 VanDerWaalsContact O-N 3.15Å; M85-V87 PolarHBondContact O-N 3.4Å; M85-L88 WeakPolarHBondContact O-CB 3.14Å; M85-L88 PolarHBondContact O-N 3.21Å; M85-E89 HydrophobicContact CB-CG 3.77Å; M85-E89 PolarHBondContact N-OE1 3.43Å; M85-L107 HydrophobicContact SD-CD2 4.29Å; M85-I116 HydrophobicContact CB-CD1 4.13Å; M85-I116 HydrophobicContact CE-CD1 3.56Å; M85-I116 WeakPolarHBondContact O-CG2 3.41Å; M85-I116 HydrophobicContact SD-CD1 3.64Å
86G97.2Very high96.6Very high12 Ų1249.9 Ų49.912%0.12425%0.248CC..G310 helixtrans52.4-133.7170.700000113N84 L88 E89 P117N84-G86 VanDerWaalsContact C-N 3.26Å; N84-G86 WeakPolarHBondContact OD1-CA 3.31Å; N84-G86 PolarHBondContact OD1-N 2.83Å; G86-L88 PolarHBondContact O-N 3.06Å; G86-E89 WeakPolarHBondContact O-CG 3.03Å; G86-E89 PolarHBondContact O-N 3.46Å; G86-E89 VanDerWaalsContact O-N 3.08Å; G86-P117 VanDerWaalsContact CA-O 3.32Å; G86-P117 WeakPolarHBondContact CA-O 3.29Å
87V98.1Very high96.6Very high59 Ų5949.2 Ų49.236%0.35825%0.251SS..G310 helixtrans-60.1-15-179.3-60.50000114.4M85 W103 I116 P117 E118M85-V87 PolarHBondContact O-N 3.4Å; V87-W103 HydrophobicContact CG2-CE3 4.32Å; V87-W103 HydrophobicContact CG2-CH2 4.49Å; V87-W103 HydrophobicContact CG2-CZ3 3.75Å; V87-I116 HydrophobicContact CG2-CG2 3.96Å; V87-P117 HydrophobicContact CG1-CB 4.13Å; V87-P117 HydrophobicContact CG2-CB 3.86Å; V87-P117 HydrophobicContact CG2-CG 4.11Å; V87-P117 PolarHBondContact N-O 3.21Å; V87-E118 HydrophobicContact CG1-CB 4.33Å; V87-E118 HydrophobicContact CG1-CG 4.13Å
88L98Very high96.7Very high0 Ų056 Ų560%028%0.283CS..G310 helixtrans-87.2-8.6178.7-62.9-172000114I20 M85 G86 K90 R91 L96 E100 W103 R104 I116I20-L88 WeakPolarHBondContact CB-O 3.47Å; I20-L88 HydrophobicContact CD1-CB 3.98Å; M85-L88 WeakPolarHBondContact O-CB 3.14Å; M85-L88 PolarHBondContact O-N 3.21Å; G86-L88 PolarHBondContact O-N 3.06Å; L88-K90 PolarHBondContact O-N 2.93Å; L88-R91 HydrophobicContact CD2-CG 4.42Å; L88-R91 VanDerWaalsContact O-CB 3.29Å; L88-R91 WeakPolarHBondContact O-CB 3.17Å; L88-R91 WeakPolarHBondContact O-CG 3.44Å; L88-R91 PolarHBondContact O-N 3.11Å; L88-L96 HydrophobicContact CD1-CD1 4.41Å; L88-L96 HydrophobicContact CD2-CD2 3.94Å; L88-E100 HydrophobicContact CD2-CB 3.82Å; L88-E100 HydrophobicContact CD2-CG 3.71Å; L88-W103 HydrophobicContact CD2-CE3 4.27Å; L88-W103 HydrophobicContact CD2-CZ3 4.25Å; L88-W103 HydrophobicContact CG-CE3 4.42Å; L88-R104 HydrophobicContact CD1-CG 3.64Å; L88-I116 HydrophobicContact CB-CG2 4.16Å; L88-I116 HydrophobicContact CD1-CD1 3.9Å; L88-I116 HydrophobicContact CD1-CG1 4.03Å; L88-I116 HydrophobicContact CD1-CG2 3.97Å; L88-I116 HydrophobicContact CG-CD1 4.47Å; L88-I116 HydrophobicContact CG-CG2 3.62Å
89E97.8Very high96.8Very high31 Ų3158.9 Ų58.915%0.14529%0.289CS..THydrogen-bonded Turntrans-57.4143.6174.1-66-171.7-178.800111.1Q21 G22 Q23 S24 N84 M85 G86 R91Q21-E89 VanDerWaalsContact O-CD 3.25Å; Q21-E89 VanDerWaalsContact O-CG 3.31Å; Q21-E89 WeakPolarHBondContact O-CG 3.36Å; G22-E89 VanDerWaalsContact CA-OE1 3.31Å; G22-E89 WeakPolarHBondContact CA-OE1 3.21Å; Q23-E89 PolarHBondContact N-OE1 3.41Å; S24-E89 WeakPolarHBondContact CB-OE2 3.41Å; S24-E89 PolarHBondContact N-OE2 3.33Å; S24-E89 PolarHBondContact OG-OE2 3.28Å; N84-E89 PolarHBondContact OD1-OE1 3.13Å; M85-E89 HydrophobicContact CB-CG 3.77Å; M85-E89 PolarHBondContact N-OE1 3.43Å; G86-E89 WeakPolarHBondContact O-CG 3.03Å; G86-E89 PolarHBondContact O-N 3.46Å; G86-E89 VanDerWaalsContact O-N 3.08Å; E89-R91 PolarHBondContact O-N 3.17Å
90K97.4Very high96.9Very high118 Ų11856.1 Ų56.151%0.51328%0.279SS..THydrogen-bonded Turntrans69.9-14-177.1-41.2177.2-177.7161.70115.1W14 R19 I20 S24 L88W14-K90 HydrophobicContact CH2-CB 4.29Å; W14-K90 HydrophobicContact CH2-CD 4.03Å; W14-K90 HydrophobicContact CH2-CG 3.51Å; W14-K90 HydrophobicContact CZ2-CG 4.24Å; W14-K90 HydrophobicContact CZ3-CB 4.45Å; W14-K90 HydrophobicContact CZ3-CG 3.78Å; R19-K90 PolarHBondContact NH1-O 2.85Å; I20-K90 WeakPolarHBondContact O-CA 3.47Å; I20-K90 PolarHBondContact O-N 3.4Å; S24-K90 VanDerWaalsContact OG-CE 3.29Å; S24-K90 WeakPolarHBondContact OG-CE 3.45Å; L88-K90 PolarHBondContact O-N 2.93Å
91R97.9Very high97Very high80 Ų8059 Ų5930%0.30229%0.292SS..  trans-64.7144.6175.4-61.2-77.5-73.1119.410.6110.6R19 I20 L88 E89 S95 L96 E100R19-R91 CarbonylContact C-O 3.58Å; R19-R91 VanDerWaalsContact CA-O 3.27Å; R19-R91 WeakPolarHBondContact CA-O 3.28Å; I20-R91 PolarHBondContact N-O 3.01Å; L88-R91 HydrophobicContact CD2-CG 4.42Å; L88-R91 VanDerWaalsContact O-CB 3.29Å; L88-R91 WeakPolarHBondContact O-CB 3.17Å; L88-R91 WeakPolarHBondContact O-CG 3.44Å; L88-R91 PolarHBondContact O-N 3.11Å; E89-R91 PolarHBondContact O-N 3.17Å; R91-S95 PolarHBondContact NH1-OG 3.33Å; R91-S95 PolarHBondContact NH2-O 3.01Å; R91-L96 HydrophobicContact CB-CD2 3.96Å; R91-E100 IonicContact CZ-OE1 3.79Å; R91-E100 IonicContact CZ-OE2 3.26Å; R91-E100 IonicContact NE-OE1 3.88Å; R91-E100 PolarHBondContact NE-OE1 2.72Å; R91-E100 IonicContact NE-OE2 3.09Å; R91-E100 IonicContact NH2-OE1 3.48Å; R91-E100 PolarHBondContact NH2-OE1 3.43Å; R91-E100 IonicContact NH2-OE2 2.71Å; R91-E100 PolarHBondContact NH2-OE2 2.97Å
92H97.8Very high97Very high66 Ų6658.2 Ų58.231%0.30629%0.294SS..BIsolated β-bridgetrans-74.3125.8168.7-78.7-68.8000109.3E17 R19 D94 S95E17-H92 PolarHBondContact O-CE1 2.77Å; E17-H92 VanDerWaalsContact O-CE1 3.3Å; E17-H92 PolarHBondContact O-ND1 2.97Å; R19-H92 WeakPolarHBondContact CG-ND1 3.31Å; R19-H92 PolarHBondContact NE-CE1 3.41Å; R19-H92 PolarHBondContact NH1-NE2 2.87Å; R19-H92 PolarHBondContact NH2-NE2 3.24Å; H92-D94 PolarHBondContact O-N 3.43Å; H92-S95 WeakPolarHBondContact CB-OG 3.47Å; H92-S95 PolarHBondContact O-N 3.41Å; H92-S95 PolarHBondContact O-OG 2.93Å
93I94.9Very high97.1Very high53 Ų5359.8 Ų59.827%0.27230%0.299SS..G310 helixtrans-59.8-31.9-176.7-165.3172.7000112.3R18 I20 S95 L96R18-I93 HydrophobicContact CB-CG2 3.86Å; R18-I93 WeakPolarHBondContact O-CG2 3.29Å; R18-I93 PolarHBondContact O-N 3.31Å; I20-I93 HydrophobicContact CG1-CB 4.45Å; I93-S95 PolarHBondContact O-N 2.68Å; I93-L96 WeakPolarHBondContact O-CG 3.48Å
94D96.4Very high97.1Very high114 Ų11462.2 Ų62.261%0.6131%0.308SS*.G310 helixtrans-80.9-3.2-179.3-52.3-41.3000112.9R18 H92R18-D94 WeakPolarHBondContact CD-OD2 3.22Å; R18-D94 IonicContact CZ-OD1 2.76Å; R18-D94 IonicContact CZ-OD2 3.52Å; R18-D94 IonicContact NE-OD1 2.77Å; R18-D94 PolarHBondContact NE-OD1 2.97Å; R18-D94 IonicContact NE-OD2 2.7Å; R18-D94 PolarHBondContact NE-OD2 3.38Å; R18-D94 IonicContact NH2-OD1 3.57Å; R18-D94 PolarHBondContact NH2-OD1 3.39Å; R18-D94 IonicContact NH2-OD2 3.46Å; H92-D94 PolarHBondContact O-N 3.43Å
95S97Very high97Very high54 Ų5464.9 Ų64.938%0.37832%0.315SS..G310 helixtrans-110.49.1-178.874.60000113.7R91 H92 I93R91-S95 PolarHBondContact NH1-OG 3.33Å; R91-S95 PolarHBondContact NH2-O 3.01Å; H92-S95 WeakPolarHBondContact CB-OG 3.47Å; H92-S95 PolarHBondContact O-N 3.41Å; H92-S95 PolarHBondContact O-OG 2.93Å; I93-S95 PolarHBondContact O-N 2.68Å
96L97.6Very high96.8Very high29 Ų2966.9 Ų66.915%0.15232%0.324CS..  trans-71139.1-178.3-63.5-174000110.9I20 L88 R91 I93 E100 E101I20-L96 HydrophobicContact CD1-CD1 4.03Å; I20-L96 HydrophobicContact CD1-CD2 4.33Å; L88-L96 HydrophobicContact CD1-CD1 4.41Å; L88-L96 HydrophobicContact CD2-CD2 3.94Å; R91-L96 HydrophobicContact CB-CD2 3.96Å; I93-L96 WeakPolarHBondContact O-CG 3.48Å; L96-E100 VanDerWaalsContact CA-OE2 3.25Å; L96-E100 WeakPolarHBondContact CA-OE2 3.38Å; L96-E100 HydrophobicContact CB-CB 4.01Å; L96-E100 HydrophobicContact CD2-CB 4.13Å; L96-E100 HydrophobicContact CG-CB 4.48Å; L96-E101 WeakPolarHBondContact CD1-OE2 3.42Å
97T98.4Very high96.5Very high73 Ų7366.9 Ų66.945%0.44832%0.321SS..  trans-68.7166.416972.40000110.5E99 E100 E101T97-E99 PolarHBondContact O-N 3.42Å; T97-E99 PolarHBondContact OG1-N 2.73Å; T97-E100 PolarHBondContact N-OE2 2.71Å; T97-E100 PolarHBondContact O-N 3.03Å; T97-E100 WeakPolarHBondContact OG1-CG 3.35Å; T97-E100 PolarHBondContact OG1-N 2.85Å; T97-E100 VanDerWaalsContact OG1-N 3.13Å; T97-E101 PolarHBondContact O-N 2.57Å
98E98.1Very high96Very high163 Ų16369.1 Ų69.176%0.76234%0.335SS*.Hα-helixtrans-59.9-36175.2-175.5174.4-171.800112.4N102E98-N102 WeakPolarHBondContact O-CB 3.47Å; E98-N102 PolarHBondContact O-N 3.42Å
99E97.8Very high95.6Very high126 Ų12674 Ų7459%0.58936%0.36SS*.Hα-helixtrans-66-48.3175.3-175.9-179-168.500111.4T97 E101 N102 W103T97-E99 PolarHBondContact O-N 3.42Å; T97-E99 PolarHBondContact OG1-N 2.73Å; E99-E101 VanDerWaalsContact C-N 3.32Å; E99-E101 PolarHBondContact O-N 2.7Å; E99-N102 WeakPolarHBondContact O-CA 3.33Å; E99-N102 VanDerWaalsContact O-CB 3.29Å; E99-N102 WeakPolarHBondContact O-CB 3.27Å; E99-N102 PolarHBondContact O-N 3.29Å; E99-W103 HydrophobicContact CG-CH2 4.49Å; E99-W103 HydrophobicContact CG-CZ2 3.71Å; E99-W103 PolarHBondContact O-N 2.95Å; E99-W103 VanDerWaalsContact O-N 3.09Å
100E97.7Very high94.7Very high25 Ų2575.9 Ų75.912%0.11739%0.388CS..Hα-helixtrans-59.9-42.4177.7-72.3178.5130.300111.4L88 R91 L96 T97 N102 W103 R104L88-E100 HydrophobicContact CD2-CB 3.82Å; L88-E100 HydrophobicContact CD2-CG 3.71Å; R91-E100 IonicContact CZ-OE1 3.79Å; R91-E100 IonicContact CZ-OE2 3.26Å; R91-E100 IonicContact NE-OE1 3.88Å; R91-E100 PolarHBondContact NE-OE1 2.72Å; R91-E100 IonicContact NE-OE2 3.09Å; R91-E100 IonicContact NH2-OE1 3.48Å; R91-E100 PolarHBondContact NH2-OE1 3.43Å; R91-E100 IonicContact NH2-OE2 2.71Å; R91-E100 PolarHBondContact NH2-OE2 2.97Å; L96-E100 VanDerWaalsContact CA-OE2 3.25Å; L96-E100 WeakPolarHBondContact CA-OE2 3.38Å; L96-E100 HydrophobicContact CB-CB 4.01Å; L96-E100 HydrophobicContact CD2-CB 4.13Å; L96-E100 HydrophobicContact CG-CB 4.48Å; T97-E100 PolarHBondContact N-OE2 2.71Å; T97-E100 PolarHBondContact O-N 3.03Å; T97-E100 WeakPolarHBondContact OG1-CG 3.35Å; T97-E100 PolarHBondContact OG1-N 2.85Å; T97-E100 VanDerWaalsContact OG1-N 3.13Å; E100-N102 VanDerWaalsContact C-N 3.3Å; E100-N102 PolarHBondContact O-N 2.83Å; E100-W103 HydrophobicContact CB-CE3 4.31Å; E100-W103 HydrophobicContact CB-CZ3 4.35Å; E100-W103 HydrophobicContact CG-CE3 4.22Å; E100-W103 HydrophobicContact CG-CH2 4.36Å; E100-W103 HydrophobicContact CG-CZ3 3.76Å; E100-W103 PolarHBondContact O-N 3.14Å; E100-R104 PolarHBondContact O-N 3.18Å
101E96.8Very high94.3Very high63 Ų6373 Ų7329%0.29438%0.381SS..Hα-helixtrans-69.7-29.7175.2-171.658.5-152.500111.8L96 T97 E99 R104 R105L96-E101 WeakPolarHBondContact CD1-OE2 3.42Å; T97-E101 PolarHBondContact O-N 2.57Å; E99-E101 VanDerWaalsContact C-N 3.32Å; E99-E101 PolarHBondContact O-N 2.7Å; E101-R104 PolarHBondContact O-N 3.45Å; E101-R104 IonicContact OE1-NE 3.95Å; E101-R104 VanDerWaalsContact OE2-CD 3.3Å; E101-R104 WeakPolarHBondContact OE2-CD 3.44Å; E101-R104 IonicContact OE2-NE 3.42Å; E101-R104 PolarHBondContact OE2-NE 3.07Å; E101-R105 WeakPolarHBondContact O-CG 3Å; E101-R105 PolarHBondContact O-N 3.03Å
102N96.2Very high93.7Very high61 Ų6175.1 Ų75.133%0.32640%0.403SS..Hα-helixtrans-64.1-40.1174.3-169.560.1000112.2E98 E99 E100 R104 R105 Q106E98-N102 WeakPolarHBondContact O-CB 3.47Å; E98-N102 PolarHBondContact O-N 3.42Å; E99-N102 WeakPolarHBondContact O-CA 3.33Å; E99-N102 VanDerWaalsContact O-CB 3.29Å; E99-N102 WeakPolarHBondContact O-CB 3.27Å; E99-N102 PolarHBondContact O-N 3.29Å; E100-N102 VanDerWaalsContact C-N 3.3Å; E100-N102 PolarHBondContact O-N 2.83Å; N102-R104 VanDerWaalsContact C-N 3.31Å; N102-R104 PolarHBondContact O-N 3.05Å; N102-R105 PolarHBondContact O-N 2.92Å; N102-R105 PolarHBondContact OD1-NH2 2.72Å; N102-Q106 PolarHBondContact ND2-NE2 3.19Å; N102-Q106 VanDerWaalsContact ND2-NE2 3.18Å; N102-Q106 WeakPolarHBondContact O-CG 3.34Å; N102-Q106 PolarHBondContact O-N 2.89Å
103W96.6Very high93Very high54 Ų5477.4 Ų77.421%0.20542%0.417CS..Hα-helixtrans-59.1-43.2173.3-57.3-31.7000111.7V87 L88 E99 E100 R105 Q106 L107 I116 P117V87-W103 HydrophobicContact CG2-CE3 4.32Å; V87-W103 HydrophobicContact CG2-CH2 4.49Å; V87-W103 HydrophobicContact CG2-CZ3 3.75Å; L88-W103 HydrophobicContact CD2-CE3 4.27Å; L88-W103 HydrophobicContact CD2-CZ3 4.25Å; L88-W103 HydrophobicContact CG-CE3 4.42Å; E99-W103 HydrophobicContact CG-CH2 4.49Å; E99-W103 HydrophobicContact CG-CZ2 3.71Å; E99-W103 PolarHBondContact O-N 2.95Å; E99-W103 VanDerWaalsContact O-N 3.09Å; E100-W103 HydrophobicContact CB-CE3 4.31Å; E100-W103 HydrophobicContact CB-CZ3 4.35Å; E100-W103 HydrophobicContact CG-CE3 4.22Å; E100-W103 HydrophobicContact CG-CH2 4.36Å; E100-W103 HydrophobicContact CG-CZ3 3.76Å; E100-W103 PolarHBondContact O-N 3.14Å; W103-R105 VanDerWaalsContact C-N 3.33Å; W103-R105 PolarHBondContact O-N 2.72Å; W103-Q106 PolarHBondContact O-N 3.36Å; W103-L107 WeakPolarHBondContact O-CB 3.4Å; W103-L107 PolarHBondContact O-N 3.28Å; W103-I116 HydrophobicContact CB-CG1 4.18Å; W103-I116 HydrophobicContact CE3-CG2 4.37Å; W103-P117 VanDerWaalsContact CD2-CD 3.42Å; W103-P117 HydrophobicContact CD2-CG 3.88Å; W103-P117 VanDerWaalsContact CE3-CD 3.41Å; W103-P117 HydrophobicContact CE3-CG 3.94Å; W103-P117 HydrophobicContact CH2-CG 3.9Å; W103-P117 HydrophobicContact CZ2-CG 3.82Å; W103-P117 HydrophobicContact CZ3-CG 3.95Å
104R94.6Very high92.9Very high56 Ų5675.2 Ų75.221%0.21141%0.408CS..Hα-helixtrans-62.6-38.8176.4-70172.155.61009.3112.5L88 E100 E101 N102 I116L88-R104 HydrophobicContact CD1-CG 3.64Å; E100-R104 PolarHBondContact O-N 3.18Å; E101-R104 PolarHBondContact O-N 3.45Å; E101-R104 IonicContact OE1-NE 3.95Å; E101-R104 VanDerWaalsContact OE2-CD 3.3Å; E101-R104 WeakPolarHBondContact OE2-CD 3.44Å; E101-R104 IonicContact OE2-NE 3.42Å; E101-R104 PolarHBondContact OE2-NE 3.07Å; N102-R104 VanDerWaalsContact C-N 3.31Å; N102-R104 PolarHBondContact O-N 3.05Å; R104-I116 HydrophobicContact CG-CD1 4.28Å
105R94Very high92.8Very high102 Ų10273.9 Ų73.939%0.38539%0.394SS..Hα-helixtrans-65.4-46.4175.4-72.2-173.8-65.6-101.12.3111.6E101 N102 W103 L107 V108 N109E101-R105 WeakPolarHBondContact O-CG 3Å; E101-R105 PolarHBondContact O-N 3.03Å; N102-R105 PolarHBondContact O-N 2.92Å; N102-R105 PolarHBondContact OD1-NH2 2.72Å; W103-R105 VanDerWaalsContact C-N 3.33Å; W103-R105 PolarHBondContact O-N 2.72Å; R105-L107 VanDerWaalsContact C-N 3.28Å; R105-L107 PolarHBondContact O-N 3.31Å; R105-V108 PolarHBondContact O-N 3.4Å; R105-N109 VanDerWaalsContact O-CB 3.23Å; R105-N109 WeakPolarHBondContact O-CB 3.33Å; R105-N109 PolarHBondContact O-N 3.06Å; R105-N109 VanDerWaalsContact O-N 3.07Å; R105-N109 PolarHBondContact O-ND2 3.4Å; R105-N109 PolarHBondContact O-OD1 2.95Å
106Q92.8Very high92.9Very high65 Ų6571.3 Ų71.330%0.30438%0.376SS..Hα-helixtrans-61.5-37.6179.1-73.7177.9-10.500112.3N102 W103 V108 N109 T111N102-Q106 PolarHBondContact ND2-NE2 3.19Å; N102-Q106 VanDerWaalsContact ND2-NE2 3.18Å; N102-Q106 WeakPolarHBondContact O-CG 3.34Å; N102-Q106 PolarHBondContact O-N 2.89Å; W103-Q106 PolarHBondContact O-N 3.36Å; Q106-V108 VanDerWaalsContact C-N 3.28Å; Q106-V108 PolarHBondContact O-N 3.23Å; Q106-N109 WeakPolarHBondContact CA-OD1 3.18Å; Q106-N109 PolarHBondContact O-OD1 3.23Å; Q106-T111 HydrophobicContact CB-CG2 4.37Å; Q106-T111 HydrophobicContact CG-CG2 4.42Å; Q106-T111 WeakPolarHBondContact O-CB 3.44Å
107L91.7Very high92.8Very high12 Ų1272.2 Ų72.26%0.06338%0.383CS..Hα-helixtrans-57.5-37.1177.1175.564.1000113.3L83 M85 W103 R105 G114 I116 E120 M122L83-L107 HydrophobicContact CD2-CD1 4.11Å; L83-L107 HydrophobicContact CD2-CD2 3.64Å; L83-L107 HydrophobicContact CD2-CG 4.16Å; M85-L107 HydrophobicContact SD-CD2 4.29Å; W103-L107 WeakPolarHBondContact O-CB 3.4Å; W103-L107 PolarHBondContact O-N 3.28Å; R105-L107 VanDerWaalsContact C-N 3.28Å; R105-L107 PolarHBondContact O-N 3.31Å; L107-G114 WeakPolarHBondContact CD1-O 3.42Å; L107-I116 HydrophobicContact CD2-CD1 3.82Å; L107-I116 HydrophobicContact CD2-CG1 4.16Å; L107-E120 WeakPolarHBondContact CD1-O 3.27Å; L107-M122 HydrophobicContact CD1-CG 3.98Å; L107-M122 HydrophobicContact CD1-SD 4.38Å; L107-M122 HydrophobicContact CG-CG 4.32Å; L107-M122 HydrophobicContact CG-SD 4.46Å; L107-M122 WeakPolarHBondContact O-CG 3.39Å
108V87.3Confident92.8Very high107 Ų10776.5 Ų76.565%0.64840%0.398SS*.Hα-helixtrans-109-9.1-172.8-58.60000115R105 Q106R105-V108 PolarHBondContact O-N 3.4Å; Q106-V108 VanDerWaalsContact C-N 3.28Å; Q106-V108 PolarHBondContact O-N 3.23Å
109N88Confident92.7Very high101 Ų10169.1 Ų69.154%0.5437%0.366SS..THydrogen-bonded Turntrans-93.55.5-174.373.9-1.6000114.7R105 Q106 T111R105-N109 VanDerWaalsContact O-CB 3.23Å; R105-N109 WeakPolarHBondContact O-CB 3.33Å; R105-N109 PolarHBondContact O-N 3.06Å; R105-N109 VanDerWaalsContact O-N 3.07Å; R105-N109 PolarHBondContact O-ND2 3.4Å; R105-N109 PolarHBondContact O-OD1 2.95Å; Q106-N109 WeakPolarHBondContact CA-OD1 3.18Å; Q106-N109 PolarHBondContact O-OD1 3.23Å; N109-T111 WeakPolarHBondContact OD1-CB 3.44Å; N109-T111 PolarHBondContact OD1-N 3.35Å; N109-T111 PolarHBondContact OD1-OG1 3.07Å
110G80.9Confident92.6Very high71 Ų7164.3 Ų64.373%0.73234%0.344SS*.THydrogen-bonded Turntrans83.815.4-178.400000114.7V112G110-V112 PolarHBondContact O-N 3.46Å
111T87.7Confident92.4Very high59 Ų5963.5 Ų63.536%0.36234%0.341SS..  trans-59128.3168.2-59.40000108.8Q106 N109 D113 G114Q106-T111 HydrophobicContact CB-CG2 4.37Å; Q106-T111 HydrophobicContact CG-CG2 4.42Å; Q106-T111 WeakPolarHBondContact O-CB 3.44Å; N109-T111 WeakPolarHBondContact OD1-CB 3.44Å; N109-T111 PolarHBondContact OD1-N 3.35Å; N109-T111 PolarHBondContact OD1-OG1 3.07Å; T111-D113 PolarHBondContact O-N 2.92Å; T111-G114 PolarHBondContact O-N 3.45Å
112V85.5Confident92Very high124 Ų12463 Ų6375%0.75234%0.339SS*.THydrogen-bonded Turntrans-58.2127175.3178.90000108.6G110 G114G110-V112 PolarHBondContact O-N 3.46Å; V112-G114 PolarHBondContact O-N 3.36Å
113D83.8Confident91.7Very high114 Ų11465.8 Ų65.861%0.6135%0.35SS*.THydrogen-bonded Turntrans5520.9-174.7-59.5-45.3000115.1T111 R115T111-D113 PolarHBondContact O-N 2.92Å; D113-R115 PolarHBondContact O-N 3.32Å
114G92.2Very high91.5Very high7 Ų766.8 Ų66.87%0.07236%0.357CS..  trans-54.8112.3173.200000110.3L107 T111 V112L107-G114 WeakPolarHBondContact CD1-O 3.42Å; T111-G114 PolarHBondContact O-N 3.45Å; V112-G114 PolarHBondContact O-N 3.36Å
115R95.2Very high91.4Very high86 Ų8664.1 Ų64.133%0.32535%0.347SS..  trans-148154.9-179.767.3179.268.5-146.62.8111.1D113 G119 E124D113-R115 PolarHBondContact O-N 3.32Å; R115-G119 PolarHBondContact NH1-O 3.47Å; R115-E124 IonicContact CZ-OE1 3.63Å; R115-E124 IonicContact CZ-OE2 3.57Å; R115-E124 IonicContact NH1-OE1 3.19Å; R115-E124 PolarHBondContact NH1-OE1 3.32Å; R115-E124 IonicContact NH1-OE2 3.19Å; R115-E124 PolarHBondContact NH1-OE2 3.34Å; R115-E124 IonicContact NH2-OE1 3.08Å; R115-E124 PolarHBondContact NH2-OE1 2.74Å; R115-E124 VanDerWaalsContact NH2-OE1 3.08Å; R115-E124 IonicContact NH2-OE2 3.38Å; R115-E124 PolarHBondContact NH2-OE2 3.31Å
116I97.2Very high91.2Very high0 Ų060.2 Ų60.20%034%0.335CS..  trans-73.5142.8165-62.2160.4000107.6M85 V87 L88 W103 R104 L107 E118 G119M85-I116 HydrophobicContact CB-CD1 4.13Å; M85-I116 HydrophobicContact CE-CD1 3.56Å; M85-I116 WeakPolarHBondContact O-CG2 3.41Å; M85-I116 HydrophobicContact SD-CD1 3.64Å; V87-I116 HydrophobicContact CG2-CG2 3.96Å; L88-I116 HydrophobicContact CB-CG2 4.16Å; L88-I116 HydrophobicContact CD1-CD1 3.9Å; L88-I116 HydrophobicContact CD1-CG1 4.03Å; L88-I116 HydrophobicContact CD1-CG2 3.97Å; L88-I116 HydrophobicContact CG-CD1 4.47Å; L88-I116 HydrophobicContact CG-CG2 3.62Å; W103-I116 HydrophobicContact CB-CG1 4.18Å; W103-I116 HydrophobicContact CE3-CG2 4.37Å; R104-I116 HydrophobicContact CG-CD1 4.28Å; L107-I116 HydrophobicContact CD2-CD1 3.82Å; L107-I116 HydrophobicContact CD2-CG1 4.16Å; I116-E118 PolarHBondContact O-N 3.44Å; I116-G119 VanDerWaalsContact O-CA 3.29Å; I116-G119 WeakPolarHBondContact O-CA 3.31Å; I116-G119 PolarHBondContact O-N 3.28Å
117P97.6Very high91.1Very high47 Ų4761.2 Ų61.231%0.30534%0.343SS..THydrogen-bonded Turntrans-51.8135.7175.1-27.335000111.7G86 V87 W103 G119G86-P117 VanDerWaalsContact CA-O 3.32Å; G86-P117 WeakPolarHBondContact CA-O 3.29Å; V87-P117 HydrophobicContact CG1-CB 4.13Å; V87-P117 HydrophobicContact CG2-CB 3.86Å; V87-P117 HydrophobicContact CG2-CG 4.11Å; V87-P117 PolarHBondContact N-O 3.21Å; W103-P117 VanDerWaalsContact CD2-CD 3.42Å; W103-P117 HydrophobicContact CD2-CG 3.88Å; W103-P117 VanDerWaalsContact CE3-CD 3.41Å; W103-P117 HydrophobicContact CE3-CG 3.94Å; W103-P117 HydrophobicContact CH2-CG 3.9Å; W103-P117 HydrophobicContact CZ2-CG 3.82Å; W103-P117 HydrophobicContact CZ3-CG 3.95Å; P117-G119 PolarHBondContact O-N 2.85Å; P117-G119 VanDerWaalsContact O-N 3.09Å
118E97.4Very high91.3Very high163 Ų16362.4 Ų62.476%0.76235%0.346SS*.THydrogen-bonded Turntrans619.2-173.3-53.9178-162.200115N84 V87 I116N84-E118 PolarHBondContact ND2-O 3.04Å; V87-E118 HydrophobicContact CG1-CB 4.33Å; V87-E118 HydrophobicContact CG1-CG 4.13Å; I116-E118 PolarHBondContact O-N 3.44Å
119G96.5Very high91.4Very high9 Ų957.3 Ų57.39%0.09332%0.316CS..  trans-97.5-176.8-179.100000114.1N84 R115 I116 P117N84-G119 VanDerWaalsContact O-CA 3.31Å; N84-G119 WeakPolarHBondContact O-CA 3.48Å; R115-G119 PolarHBondContact NH1-O 3.47Å; I116-G119 VanDerWaalsContact O-CA 3.29Å; I116-G119 WeakPolarHBondContact O-CA 3.31Å; I116-G119 PolarHBondContact O-N 3.28Å; P117-G119 PolarHBondContact O-N 2.85Å; P117-G119 VanDerWaalsContact O-N 3.09Å
120E94.7Very high91.5Very high25 Ų2554.4 Ų54.412%0.11730%0.3CS..  trans-103147.2177.4178178.5-131.500110L83 N84 L107 E124 L125 R128L83-E120 WeakPolarHBondContact CA-OE2 3.16Å; L83-E120 HydrophobicContact CD1-CB 3.78Å; L83-E120 HydrophobicContact CD1-CG 3.79Å; N84-E120 HydrophobicContact CB-CB 3.72Å; N84-E120 PolarHBondContact N-OE2 3.05Å; N84-E120 PolarHBondContact O-N 3.47Å; L107-E120 WeakPolarHBondContact CD1-O 3.27Å; E120-E124 HydrophobicContact CG-CB 3.6Å; E120-L125 HydrophobicContact CG-CB 4.47Å; E120-R128 WeakPolarHBondContact OE1-CD 3.17Å; E120-R128 IonicContact OE1-CZ 3.81Å; E120-R128 IonicContact OE1-NE 2.7Å; E120-R128 PolarHBondContact OE1-NE 3.46Å; E120-R128 IonicContact OE1-NH2 3.59Å; E120-R128 IonicContact OE2-CZ 2.73Å; E120-R128 IonicContact OE2-NE 3.34Å; E120-R128 PolarHBondContact OE2-NE 3.24Å; E120-R128 IonicContact OE2-NH2 2.84Å; E120-R128 PolarHBondContact OE2-NH2 3.5Å
121S93Very high92Very high8 Ų853 Ų536%0.05628%0.282CS..  trans-84160.4171.866.10000111.4Q123 E124 L125S121-Q123 PolarHBondContact O-N 3.08Å; S121-E124 WeakPolarHBondContact CB-OE2 3.21Å; S121-E124 PolarHBondContact N-OE2 2.74Å; S121-E124 PolarHBondContact O-N 3.18Å; S121-E124 VanDerWaalsContact OG-CG 3.31Å; S121-E124 WeakPolarHBondContact OG-CG 3.47Å; S121-E124 PolarHBondContact OG-N 3.29Å; S121-E124 PolarHBondContact OG-OE2 3.15Å; S121-L125 PolarHBondContact O-N 3.42Å; S121-L125 VanDerWaalsContact O-N 3.08Å
122M89.9Confident92.2Very high52 Ų5250.2 Ų50.226%0.25627%0.265SS..Hα-helixtrans-63.5-26.5175.8-67.8-63-60.100113.3L83 L107 L125 S126L83-M122 HydrophobicContact CD2-SD 3.93Å; L107-M122 HydrophobicContact CD1-CG 3.98Å; L107-M122 HydrophobicContact CD1-SD 4.38Å; L107-M122 HydrophobicContact CG-CG 4.32Å; L107-M122 HydrophobicContact CG-SD 4.46Å; L107-M122 WeakPolarHBondContact O-CG 3.39Å; M122-L125 HydrophobicContact CE-CD2 4.07Å; M122-L125 HydrophobicContact SD-CD2 4.14Å; M122-S126 VanDerWaalsContact O-CB 3.24Å; M122-S126 WeakPolarHBondContact O-CB 3.49Å; M122-S126 PolarHBondContact O-N 3.48Å
123Q89Confident92.3Very high120 Ų12045.1 Ų45.156%0.56123%0.233SC*.Hα-helixtrans-70.3-49.3176.1-173.661.855.200111S121 L125 S126 D127S121-Q123 PolarHBondContact O-N 3.08Å; Q123-L125 VanDerWaalsContact C-N 3.31Å; Q123-L125 PolarHBondContact O-N 2.94Å; Q123-S126 WeakPolarHBondContact O-CB 3.49Å; Q123-S126 PolarHBondContact O-N 3.48Å; Q123-S126 VanDerWaalsContact O-N 3.08Å; Q123-D127 PolarHBondContact NE2-OD1 3.49Å; Q123-D127 PolarHBondContact O-N 3.4Å
124E93.2Very high92.5Very high75 Ų7544 Ų4435%0.3522%0.224SC..Hα-helixtrans-57.8-43.8176.4-72.2157.6159.100111.2R115 E120 S121 D127 R128R115-E124 IonicContact CZ-OE1 3.63Å; R115-E124 IonicContact CZ-OE2 3.57Å; R115-E124 IonicContact NH1-OE1 3.19Å; R115-E124 PolarHBondContact NH1-OE1 3.32Å; R115-E124 IonicContact NH1-OE2 3.19Å; R115-E124 PolarHBondContact NH1-OE2 3.34Å; R115-E124 IonicContact NH2-OE1 3.08Å; R115-E124 PolarHBondContact NH2-OE1 2.74Å; R115-E124 VanDerWaalsContact NH2-OE1 3.08Å; R115-E124 IonicContact NH2-OE2 3.38Å; R115-E124 PolarHBondContact NH2-OE2 3.31Å; E120-E124 HydrophobicContact CG-CB 3.6Å; S121-E124 WeakPolarHBondContact CB-OE2 3.21Å; S121-E124 PolarHBondContact N-OE2 2.74Å; S121-E124 PolarHBondContact O-N 3.18Å; S121-E124 VanDerWaalsContact OG-CG 3.31Å; S121-E124 WeakPolarHBondContact OG-CG 3.47Å; S121-E124 PolarHBondContact OG-N 3.29Å; S121-E124 PolarHBondContact OG-OE2 3.15Å; E124-D127 PolarHBondContact O-N 2.86Å; E124-R128 WeakPolarHBondContact O-CG 3.22Å; E124-R128 PolarHBondContact O-N 3.19Å
125L92.1Very high92.4Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-58.3-49.1172.7171.768.3000111.7L83 E120 S121 M122 Q123 D127 R128 V129 A152 A153L83-L125 HydrophobicContact CB-CD2 4.18Å; L83-L125 HydrophobicContact CD1-CB 3.81Å; L83-L125 HydrophobicContact CD1-CD2 3.98Å; L83-L125 HydrophobicContact CD1-CG 4.36Å; E120-L125 HydrophobicContact CG-CB 4.47Å; S121-L125 PolarHBondContact O-N 3.42Å; S121-L125 VanDerWaalsContact O-N 3.08Å; M122-L125 HydrophobicContact CE-CD2 4.07Å; M122-L125 HydrophobicContact SD-CD2 4.14Å; Q123-L125 VanDerWaalsContact C-N 3.31Å; Q123-L125 PolarHBondContact O-N 2.94Å; L125-D127 VanDerWaalsContact C-N 3.34Å; L125-D127 PolarHBondContact O-N 2.71Å; L125-R128 VanDerWaalsContact CD1-CZ 3.48Å; L125-R128 WeakPolarHBondContact O-CG 3.35Å; L125-V129 HydrophobicContact CD1-CG2 3.79Å; L125-V129 HydrophobicContact CG-CG2 4.4Å; L125-V129 WeakPolarHBondContact O-CB 3.46Å; L125-V129 WeakPolarHBondContact O-CG2 3.41Å; L125-V129 PolarHBondContact O-N 2.7Å; L125-A152 HydrophobicContact CD2-CB 3.85Å; L125-A153 HydrophobicContact CD1-CB 4.34Å
126S88.9Confident92.1Very high19 Ų1941.4 Ų41.413%0.13322%0.218CC..Hα-helixtrans-58.9-46.6-179.9-179.60000111.1M122 Q123 R128 V129 N130M122-S126 VanDerWaalsContact O-CB 3.24Å; M122-S126 WeakPolarHBondContact O-CB 3.49Å; M122-S126 PolarHBondContact O-N 3.48Å; Q123-S126 WeakPolarHBondContact O-CB 3.49Å; Q123-S126 PolarHBondContact O-N 3.48Å; Q123-S126 VanDerWaalsContact O-N 3.08Å; S126-R128 PolarHBondContact O-N 3.02Å; S126-V129 PolarHBondContact O-N 2.98Å; S126-N130 VanDerWaalsContact O-CB 3.3Å; S126-N130 WeakPolarHBondContact O-CB 3.46Å; S126-N130 PolarHBondContact O-N 2.73Å; S126-N130 PolarHBondContact O-ND2 2.89Å; S126-N130 PolarHBondContact OG-ND2 3.04Å
127D91.9Very high91.7Very high86 Ų8649.5 Ų49.546%0.4625%0.249SC..Hα-helixtrans-60.6-50-177.1-67.4-19.2000111.5Q123 E124 L125 N130 A131Q123-D127 PolarHBondContact NE2-OD1 3.49Å; Q123-D127 PolarHBondContact O-N 3.4Å; E124-D127 PolarHBondContact O-N 2.86Å; L125-D127 VanDerWaalsContact C-N 3.34Å; L125-D127 PolarHBondContact O-N 2.71Å; D127-N130 PolarHBondContact O-N 3.15Å; D127-A131 PolarHBondContact O-N 3.31Å
128R94.7Very high91.4Very high37 Ų3754 Ų5414%0.1427%0.27CS..Hα-helixtrans-68.9-38.2-179.868.6179.217482.4-10.2112.8R79 R81 E82 E120 E124 L125 S126 A131 A132R79-R128 HydrophobicContact CB-CB 4.16Å; R79-R128 WeakPolarHBondContact CB-O 3.4Å; R79-R128 HydrophobicContact CG-CB 4.4Å; R79-R128 PolarHBondContact O-NH1 2.82Å; R81-R128 VanDerWaalsContact O-CZ 3.26Å; R81-R128 PolarHBondContact O-NH1 2.99Å; R81-R128 PolarHBondContact O-NH2 2.92Å; E82-R128 PolarHBondContact O-NH2 3.34Å; E120-R128 WeakPolarHBondContact OE1-CD 3.17Å; E120-R128 IonicContact OE1-CZ 3.81Å; E120-R128 IonicContact OE1-NE 2.7Å; E120-R128 PolarHBondContact OE1-NE 3.46Å; E120-R128 IonicContact OE1-NH2 3.59Å; E120-R128 IonicContact OE2-CZ 2.73Å; E120-R128 IonicContact OE2-NE 3.34Å; E120-R128 PolarHBondContact OE2-NE 3.24Å; E120-R128 IonicContact OE2-NH2 2.84Å; E120-R128 PolarHBondContact OE2-NH2 3.5Å; E124-R128 WeakPolarHBondContact O-CG 3.22Å; E124-R128 PolarHBondContact O-N 3.19Å; L125-R128 VanDerWaalsContact CD1-CZ 3.48Å; L125-R128 WeakPolarHBondContact O-CG 3.35Å; S126-R128 PolarHBondContact O-N 3.02Å; R128-A131 PolarHBondContact O-N 3.47Å; R128-A132 PolarHBondContact O-N 2.98Å
129V90.8Very high91.1Very high1 Ų147.9 Ų47.91%0.00624%0.242CC..Hα-helixtrans-69-38.2179.6172.20000110.8L125 S126 A132 L133 A153 V157L125-V129 HydrophobicContact CD1-CG2 3.79Å; L125-V129 HydrophobicContact CG-CG2 4.4Å; L125-V129 WeakPolarHBondContact O-CB 3.46Å; L125-V129 WeakPolarHBondContact O-CG2 3.41Å; L125-V129 PolarHBondContact O-N 2.7Å; S126-V129 PolarHBondContact O-N 2.98Å; V129-A132 PolarHBondContact O-N 3.36Å; V129-L133 PolarHBondContact O-N 3.06Å; V129-A153 HydrophobicContact CG1-CB 4.49Å; V129-A153 HydrophobicContact CG2-CB 3.79Å; V129-V157 HydrophobicContact CG1-CG2 3.4Å; V129-V157 VanDerWaalsContact CG1-CG2 3.4Å
130N89.7Confident90.9Very high40 Ų4051.6 Ų51.621%0.21427%0.265CS..Hα-helixtrans-63.8-41.7172.9-74.5-37.3000111.7S126 D127 A132 L133 E134 L160S126-N130 VanDerWaalsContact O-CB 3.3Å; S126-N130 WeakPolarHBondContact O-CB 3.46Å; S126-N130 PolarHBondContact O-N 2.73Å; S126-N130 PolarHBondContact O-ND2 2.89Å; S126-N130 PolarHBondContact OG-ND2 3.04Å; D127-N130 PolarHBondContact O-N 3.15Å; N130-A132 VanDerWaalsContact C-N 3.27Å; N130-A132 PolarHBondContact O-N 3.2Å; N130-L133 PolarHBondContact O-N 3.04Å; N130-E134 WeakPolarHBondContact O-CB 3.36Å; N130-E134 PolarHBondContact O-N 2.96Å; N130-L160 WeakPolarHBondContact ND2-CD1 3.38Å; N130-L160 WeakPolarHBondContact OD1-CD1 3.4Å
131A91.6Very high90.7Very high42 Ų4260.2 Ų60.235%0.34731%0.305SS..Hα-helixtrans-61-36.6175.500000112.4R79 D127 R128 S135R79-A131 VanDerWaalsContact NH1-C 3.33Å; R79-A131 PolarHBondContact NH1-O 3.38Å; D127-A131 PolarHBondContact O-N 3.31Å; R128-A131 PolarHBondContact O-N 3.47Å; A131-S135 PolarHBondContact O-N 3.26Å; A131-S135 PolarHBondContact O-OG 3.18Å
132A91.9Very high90.6Very high0 Ų062.9 Ų62.90%033%0.334CS..Hα-helixtrans-68.8-41.617400000112.3R79 L80 R128 V129 N130 S135R79-A132 HydrophobicContact CB-CB 4Å; L80-A132 HydrophobicContact CD2-CB 3.65Å; L80-A132 HydrophobicContact CG-CB 3.99Å; R128-A132 PolarHBondContact O-N 2.98Å; V129-A132 PolarHBondContact O-N 3.36Å; N130-A132 VanDerWaalsContact C-N 3.27Å; N130-A132 PolarHBondContact O-N 3.2Å; A132-S135 PolarHBondContact O-N 3.36Å; A132-S135 PolarHBondContact O-OG 2.99Å
133L87.5Confident90.7Very high17 Ų1761 Ų619%0.08933%0.326CS..Hα-helixtrans-64.6-41176.6-174.466.1000111.7V4 V129 N130 S135 C136 L147 V157 F161V4-L133 HydrophobicContact CB-CD1 4.28Å; V4-L133 HydrophobicContact CG1-CD1 4.02Å; V4-L133 HydrophobicContact CG2-CD1 4.01Å; V129-L133 PolarHBondContact O-N 3.06Å; N130-L133 PolarHBondContact O-N 3.04Å; L133-S135 VanDerWaalsContact C-N 3.31Å; L133-S135 PolarHBondContact O-N 2.76Å; L133-C136 WeakPolarHBondContact O-CB 3.3Å; L133-C136 PolarHBondContact O-N 3.35Å; L133-C136 PolarHBondContact O-SG 3.22Å; L133-C136 VanDerWaalsContact O-SG 3.42Å; L133-L147 HydrophobicContact CD1-CD2 4.18Å; L133-V157 HydrophobicContact CD2-CG1 4.11Å; L133-F161 HydrophobicContact CD2-CD2 3.41Å; L133-F161 VanDerWaalsContact CD2-CD2 3.41Å; L133-F161 HydrophobicContact CD2-CE2 3.61Å; L133-F161 HydrophobicContact CD2-CG 3.98Å; L133-F161 HydrophobicContact CD2-CZ 4.3Å
134E88.3Confident90.8Very high91 Ų9159.6 Ų59.643%0.42532%0.315SS..Hα-helixtrans-63.1-38.1179.7-168.163.6-164.800111.4N130 C136 R137N130-E134 WeakPolarHBondContact O-CB 3.36Å; N130-E134 PolarHBondContact O-N 2.96Å; E134-C136 PolarHBondContact O-N 3Å; E134-R137 VanDerWaalsContact O-CB 3.27Å; E134-R137 WeakPolarHBondContact O-CB 3.5Å; E134-R137 WeakPolarHBondContact O-CG 3.36Å; E134-R137 PolarHBondContact O-N 2.99Å; E134-R137 WeakPolarHBondContact OE1-CD 3.44Å; E134-R137 IonicContact OE1-CZ 3.6Å; E134-R137 IonicContact OE1-NE 3.61Å; E134-R137 IonicContact OE1-NH1 2.99Å; E134-R137 PolarHBondContact OE1-NH1 2.84Å; E134-R137 WeakPolarHBondContact OE2-CD 3.47Å; E134-R137 IonicContact OE2-NH1 3.26Å; E134-R137 PolarHBondContact OE2-NH1 3.34Å
135S90.2Very high90.8Very high37 Ų3756 Ų5626%0.25930%0.299SS..G310 helixtrans-62.9-13.6174.2520000114.5R79 A131 A132 L133 R137 D138R79-S135 PolarHBondContact NH2-OG 3.37Å; A131-S135 PolarHBondContact O-N 3.26Å; A131-S135 PolarHBondContact O-OG 3.18Å; A132-S135 PolarHBondContact O-N 3.36Å; A132-S135 PolarHBondContact O-OG 2.99Å; L133-S135 VanDerWaalsContact C-N 3.31Å; L133-S135 PolarHBondContact O-N 2.76Å; S135-R137 PolarHBondContact O-N 3.45Å; S135-D138 PolarHBondContact O-N 3.09Å
136C87.9Confident90.8Very high1 Ų156 Ų561%0.00730%0.299CS..G310 helixtrans-68.5-21.1171.5-59.50000112.3L2 V4 I52 L133 E134 D138 L139 P145 L147L2-C136 HydrophobicContact CD2-CB 3.74Å; L2-C136 WeakPolarHBondContact CD2-O 3.46Å; V4-C136 HydrophobicContact CG2-CB 4.37Å; I52-C136 VanDerWaalsContact CD1-SG 3.57Å; L133-C136 WeakPolarHBondContact O-CB 3.3Å; L133-C136 PolarHBondContact O-N 3.35Å; L133-C136 PolarHBondContact O-SG 3.22Å; L133-C136 VanDerWaalsContact O-SG 3.42Å; E134-C136 PolarHBondContact O-N 3Å; C136-D138 PolarHBondContact O-N 3.06Å; C136-L139 HydrophobicContact CB-CD1 4.37Å; C136-L139 WeakPolarHBondContact O-CB 3.25Å; C136-L139 WeakPolarHBondContact O-CG 3.3Å; C136-L139 PolarHBondContact O-N 3.47Å; C136-P145 HydrophobicContact CB-CG 4.46Å; C136-L147 WeakPolarHBondContact SG-CD1 3.38Å
137R88.5Confident90.8Very high170 Ų17055.1 Ų55.164%0.64229%0.293SS*.G310 helixtrans-71.5-19.9179.6-59.5177.885.5169.92.9112.5E134 S135 L139E134-R137 VanDerWaalsContact O-CB 3.27Å; E134-R137 WeakPolarHBondContact O-CB 3.5Å; E134-R137 WeakPolarHBondContact O-CG 3.36Å; E134-R137 PolarHBondContact O-N 2.99Å; E134-R137 WeakPolarHBondContact OE1-CD 3.44Å; E134-R137 IonicContact OE1-CZ 3.6Å; E134-R137 IonicContact OE1-NE 3.61Å; E134-R137 IonicContact OE1-NH1 2.99Å; E134-R137 PolarHBondContact OE1-NH1 2.84Å; E134-R137 WeakPolarHBondContact OE2-CD 3.47Å; E134-R137 IonicContact OE2-NH1 3.26Å; E134-R137 PolarHBondContact OE2-NH1 3.34Å; S135-R137 PolarHBondContact O-N 3.45Å; R137-L139 VanDerWaalsContact C-N 3.26Å
138D91.7Very high90.5Very high142 Ų14251 Ų5176%0.75927%0.271SS*.G310 helixtrans-81.9-6176.9-56-39.7000112.4S135 C136S135-D138 PolarHBondContact O-N 3.09Å; C136-D138 PolarHBondContact O-N 3.06Å
139L90.6Very high89.7Confident34 Ų3449.3 Ų49.318%0.17827%0.265CS..SBendtrans-69150.8177.3-67.2174.7000111.9I52 C136 R137 P145I52-L139 HydrophobicContact CD1-CD1 4.31Å; C136-L139 HydrophobicContact CB-CD1 4.37Å; C136-L139 WeakPolarHBondContact O-CB 3.25Å; C136-L139 WeakPolarHBondContact O-CG 3.3Å; C136-L139 PolarHBondContact O-N 3.47Å; R137-L139 VanDerWaalsContact C-N 3.26Å; L139-P145 HydrophobicContact CD1-CB 3.62Å; L139-P145 HydrophobicContact CD1-CG 3.83Å
140P92.6Very high89.1Confident87 Ų8749.4 Ų49.457%0.56527%0.265SS*.PPolyproline II helixtrans-54.4149.3178.2-25.934.2000113.2G142 S143P140-G142 PolarHBondContact O-N 2.84Å; P140-S143 WeakPolarHBondContact O-CB 3.18Å; P140-S143 PolarHBondContact O-N 2.95Å; P140-S143 PolarHBondContact O-OG 3.08Å
141Q90.4Very high88.2Confident206 Ų20649.9 Ų49.996%0.96327%0.271SS*.THydrogen-bonded Turntrans-55.9136.1175.1-174.7175.5300111.1S143Q141-S143 VanDerWaalsContact C-N 3.33Å
142G90.8Very high86.8Confident64 Ų6449 Ų4966%0.6626%0.264SS*.THydrogen-bonded Turntrans88.3-3.5-17600000114.2P140P140-G142 PolarHBondContact O-N 2.84Å
143S92.6Very high85.3Confident13 Ų1349 Ų499%0.09126%0.264CS..  trans-60.9140.9174.3-64.40000112.5T49 H50 P140 Q141 P145T49-S143 WeakPolarHBondContact OG1-CA 3.45Å; H50-S143 PolarHBondContact CE1-OG 2.73Å; P140-S143 WeakPolarHBondContact O-CB 3.18Å; P140-S143 PolarHBondContact O-N 2.95Å; P140-S143 PolarHBondContact O-OG 3.08Å; Q141-S143 VanDerWaalsContact C-N 3.33Å; S143-P145 VanDerWaalsContact C-CD 3.45Å; S143-P145 WeakPolarHBondContact O-CD 3.12Å
144R91.9Very high84.2Confident89 Ų8949.4 Ų49.434%0.33627%0.265SS..  trans-123.374175.7-60.7179.975.5168.6-0.6107.9Y5 L46 G47 I48 T49Y5-R144 HydrophobicContact CE2-CB 4.42Å; Y5-R144 PolarHBondContact OH-NH2 2.96Å; L46-R144 PolarHBondContact O-NE 3.33Å; L46-R144 PolarHBondContact O-NH1 3.26Å; L46-R144 PolarHBondContact O-NH2 3.25Å; G47-R144 WeakPolarHBondContact O-CD 3.32Å; I48-R144 WeakPolarHBondContact CA-O 3.44Å; I48-R144 HydrophobicContact CD1-CB 4.42Å; I48-R144 WeakPolarHBondContact CD1-O 2.99Å; T49-R144 PolarHBondContact N-O 3.41Å; T49-R144 VanDerWaalsContact N-O 3.17Å; T49-R144 PolarHBondContact OG1-N 3.38Å
145P92.2Very high82.8Confident0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-69.8141.2-176.828.4-36000112L2 Q3 V4 Y5 H50 I52 C136 L139 S143L2-P145 HydrophobicContact CD1-CG 4.22Å; Q3-P145 WeakPolarHBondContact O-CD 3.31Å; V4-P145 HydrophobicContact CG2-CG 4.04Å; Y5-P145 PolarHBondContact N-O 2.78Å; H50-P145 HydrophobicContact CB-CB 4.47Å; H50-P145 WeakPolarHBondContact O-CA 3.18Å; I52-P145 HydrophobicContact CD1-CB 4.36Å; C136-P145 HydrophobicContact CB-CG 4.46Å; L139-P145 HydrophobicContact CD1-CB 3.62Å; L139-P145 HydrophobicContact CD1-CG 3.83Å; S143-P145 VanDerWaalsContact C-CD 3.45Å; S143-P145 WeakPolarHBondContact O-CD 3.12Å
146L91.7Very high81.2Confident0 Ų046.8 Ų46.80%025%0.254CS..EExtended strand (participates in β ladder)trans-106.8115.3166.5-176.5155.8000108.3Y5 V7 A43 I48 H50 I51 I52 I66 H148Y5-L146 CarbonylContact O-C 3.52Å; Y5-L146 WeakPolarHBondContact O-CA 3.29Å; V7-L146 HydrophobicContact CB-CD2 4.08Å; V7-L146 HydrophobicContact CB-CG 4.48Å; V7-L146 HydrophobicContact CG2-CD1 3.74Å; V7-L146 HydrophobicContact CG2-CD2 4.03Å; V7-L146 HydrophobicContact CG2-CG 3.91Å; A43-L146 HydrophobicContact CB-CD1 4.1Å; I48-L146 HydrophobicContact CD1-CB 4.19Å; I48-L146 HydrophobicContact CG1-CB 4.37Å; I48-L146 HydrophobicContact CG1-CD1 4.21Å; I48-L146 HydrophobicContact CG2-CB 3.68Å; I48-L146 HydrophobicContact CG2-CD1 4.42Å; H50-L146 PolarHBondContact O-N 2.65Å; I51-L146 WeakPolarHBondContact CA-O 3.24Å; I51-L146 HydrophobicContact CG2-CD2 4.24Å; I52-L146 PolarHBondContact N-O 2.86Å; I66-L146 HydrophobicContact CG2-CD1 4.13Å; L146-H148 HydrophobicContact CD2-CB 3.85Å
147L90.1Very high79.7Confident1 Ų146.9 Ų46.91%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-86.1121.2170-11176.4000109.5V4 Y5 L6 V7 I52 L80 L133 C136 Y154V4-L147 HydrophobicContact CG1-CB 4.08Å; V4-L147 HydrophobicContact CG1-CD1 3.79Å; V4-L147 HydrophobicContact CG1-CG 4.41Å; Y5-L147 PolarHBondContact O-N 2.96Å; L6-L147 WeakPolarHBondContact CA-O 3.46Å; L6-L147 HydrophobicContact CD2-CB 3.75Å; V7-L147 PolarHBondContact N-O 3.08Å; V7-L147 VanDerWaalsContact N-O 3.11Å; I52-L147 HydrophobicContact CB-CD1 4.03Å; I52-L147 HydrophobicContact CB-CG 4.45Å; I52-L147 HydrophobicContact CD1-CD1 3.85Å; I52-L147 HydrophobicContact CG1-CD1 4.46Å; I52-L147 CarbonylContact O-C 3.48Å; I52-L147 WeakPolarHBondContact O-CA 3.39Å; L80-L147 HydrophobicContact CD1-CD2 4.37Å; L80-L147 HydrophobicContact CD1-CG 4.08Å; L80-L147 HydrophobicContact CD2-CD2 3.67Å; L80-L147 HydrophobicContact CD2-CG 4.27Å; L133-L147 HydrophobicContact CD1-CD2 4.18Å; C136-L147 WeakPolarHBondContact SG-CD1 3.38Å; L147-Y154 PolarHBondContact O-OH 3.47Å
148H85.7Confident78.3Confident0 Ų040.9 Ų40.90%024%0.237CC..EExtended strand (participates in β ladder)trans-115.6121-178.5-176-118000111.1V7 H9 I51 I52 S53 S54 T59 T62 L146 Y154V7-H148 PolarHBondContact O-CD2 3.08Å; H9-H148 VanDerWaalsContact CA-NE2 3.35Å; H9-H148 WeakPolarHBondContact CA-NE2 3.34Å; H9-H148 PolarHBondContact N-NE2 3.27Å; I51-H148 HydrophobicContact CG2-CB 4.47Å; I52-H148 PolarHBondContact O-N 3.38Å; S53-H148 CarbonylContact C-O 3.51Å; S53-H148 VanDerWaalsContact CA-O 3.26Å; S53-H148 WeakPolarHBondContact CA-O 3.41Å; S53-H148 PolarHBondContact OG-ND1 3.19Å; S54-H148 PolarHBondContact N-O 3.19Å; T59-H148 WeakPolarHBondContact CA-CE1 3.42Å; T59-H148 PolarHBondContact O-CE1 3.33Å; T59-H148 PolarHBondContact O-ND1 2.83Å; T59-H148 VanDerWaalsContact O-ND1 3.13Å; T62-H148 VanDerWaalsContact CB-CE1 3.45Å; T62-H148 WeakPolarHBondContact CB-CE1 3.33Å; T62-H148 VanDerWaalsContact CG2-NE2 3.34Å; T62-H148 WeakPolarHBondContact CG2-NE2 3.24Å; L146-H148 HydrophobicContact CD2-CB 3.85Å; H148-Y154 VanDerWaalsContact C-OH 3.32Å; H148-Y154 VanDerWaalsContact CA-OH 3.24Å; H148-Y154 WeakPolarHBondContact CA-OH 3.41Å
149G78.2Confident76.4Confident1 Ų138.3 Ų38.31%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-165.2-158.8-165.900000109.5V7 Y154V7-G149 PolarHBondContact O-N 2.95Å; G149-Y154 WeakPolarHBondContact CA-OH 3.23Å; G149-Y154 PolarHBondContact N-OH 2.85Å
150Q77.8Confident73.9Confident3 Ų341 Ų411%0.01424%0.24CC..  trans-122.4177.9-170.2-50.1-149.216.800112.8H9 R58 T59 E82 A152 A153 Y154H9-Q150 PolarHBondContact NE2-OE1 3.21Å; R58-Q150 VanDerWaalsContact CZ-OE1 3.27Å; R58-Q150 VanDerWaalsContact NE-CD 3.26Å; T59-Q150 HydrophobicContact CG2-CG 4.06Å; E82-Q150 HydrophobicContact CB-CB 3.64Å; E82-Q150 HydrophobicContact CB-CG 3.85Å; E82-Q150 HydrophobicContact CG-CB 3.84Å; E82-Q150 WeakPolarHBondContact OE2-CB 3.01Å; Q150-A152 PolarHBondContact O-N 3.27Å; Q150-A153 PolarHBondContact O-N 3Å; Q150-Y154 WeakPolarHBondContact O-CD2 3.33Å; Q150-Y154 PolarHBondContact O-N 3.4Å
151S69.7Low71.1Confident49 Ų4941.8 Ų41.834%0.34323%0.234SC..Hα-helixtrans-64.6-44.4-160.6-29.80000111.6R8 E82 Y154 V155R8-S151 PolarHBondContact NE-OG 3.41Å; R8-S151 VanDerWaalsContact NE-OG 3.11Å; E82-S151 PolarHBondContact OE2-N 3.44Å; S151-Y154 PolarHBondContact O-N 3.41Å; S151-V155 PolarHBondContact O-N 3.32Å
152A62.9Low68.4Low23 Ų2344.3 Ų44.319%0.1924%0.235CC..Hα-helixtrans-72.1-39.2-178.300000111.3E82 L83 L125 Q150 Y154 V155 C156E82-A152 WeakPolarHBondContact OE1-CB 3.4Å; E82-A152 PolarHBondContact OE1-N 3.13Å; E82-A152 PolarHBondContact OE2-N 3.47Å; L83-A152 HydrophobicContact CB-CB 4.06Å; L83-A152 HydrophobicContact CD2-CB 4.47Å; L125-A152 HydrophobicContact CD2-CB 3.85Å; Q150-A152 PolarHBondContact O-N 3.27Å; A152-Y154 PolarHBondContact O-N 3.43Å; A152-V155 WeakPolarHBondContact O-CB 3.31Å; A152-V155 PolarHBondContact O-N 2.99Å; A152-C156 PolarHBondContact O-N 3.4Å
153A61.1Low65.9Low2 Ų242.6 Ų42.62%0.01722%0.215CC..Hα-helixtrans-55.1-39.4175.400000112.2E82 L125 V129 Q150 C156 V157E82-A153 PolarHBondContact OE1-N 3.21Å; L125-A153 HydrophobicContact CD1-CB 4.34Å; V129-A153 HydrophobicContact CG1-CB 4.49Å; V129-A153 HydrophobicContact CG2-CB 3.79Å; Q150-A153 PolarHBondContact O-N 3Å; A153-C156 WeakPolarHBondContact O-CB 3.45Å; A153-C156 PolarHBondContact O-N 3.39Å; A153-V157 WeakPolarHBondContact O-CG2 3.42Å; A153-V157 PolarHBondContact O-N 2.99Å
154Y63.4Low63.2Low24 Ų2451.9 Ų51.99%0.09425%0.248CC..Hα-helixtrans-73.6-27.6177.8-65.7-48.5000114.9L6 V7 R8 L147 H148 G149 Q150 S151 A152 C156 V157 T158L6-Y154 HydrophobicContact CB-CD1 3.76Å; L6-Y154 HydrophobicContact CB-CE1 3.56Å; L6-Y154 HydrophobicContact CD1-CD1 3.85Å; L6-Y154 HydrophobicContact CD1-CE1 4.32Å; L6-Y154 HydrophobicContact CD2-CD1 3.95Å; L6-Y154 HydrophobicContact CD2-CE1 3.63Å; L6-Y154 HydrophobicContact CG-CD1 4.04Å; L6-Y154 HydrophobicContact CG-CE1 4Å; V7-Y154 VanDerWaalsContact C-OH 3.29Å; V7-Y154 PolarHBondContact N-OH 3.34Å; V7-Y154 WeakPolarHBondContact O-CE2 3.27Å; V7-Y154 VanDerWaalsContact O-CZ 3.32Å; V7-Y154 PolarHBondContact O-OH 3.43Å; R8-Y154 HydrophobicContact CB-CE2 4.29Å; L147-Y154 PolarHBondContact O-OH 3.47Å; H148-Y154 VanDerWaalsContact C-OH 3.32Å; H148-Y154 VanDerWaalsContact CA-OH 3.24Å; H148-Y154 WeakPolarHBondContact CA-OH 3.41Å; G149-Y154 WeakPolarHBondContact CA-OH 3.23Å; G149-Y154 PolarHBondContact N-OH 2.85Å; Q150-Y154 WeakPolarHBondContact O-CD2 3.33Å; Q150-Y154 PolarHBondContact O-N 3.4Å; S151-Y154 PolarHBondContact O-N 3.41Å; A152-Y154 PolarHBondContact O-N 3.43Å; Y154-C156 VanDerWaalsContact C-N 3.29Å; Y154-V157 PolarHBondContact O-N 3.48Å; Y154-T158 WeakPolarHBondContact O-CG2 3.43Å; Y154-T158 PolarHBondContact O-N 3.48Å; Y154-T158 PolarHBondContact O-OG1 3.26Å
155V59Low60.9Low62 Ų6249.5 Ų49.538%0.37624%0.242SC..Hα-helixtrans-59.4-46.9171.7175.70000109S151 A152 V157 T158 V159 L178S151-V155 PolarHBondContact O-N 3.32Å; A152-V155 WeakPolarHBondContact O-CB 3.31Å; A152-V155 PolarHBondContact O-N 2.99Å; V155-V157 PolarHBondContact O-N 3.49Å; V155-T158 PolarHBondContact O-N 3.07Å; V155-T158 PolarHBondContact O-OG1 3.4Å; V155-T158 VanDerWaalsContact O-OG1 3.06Å; V155-V159 WeakPolarHBondContact O-CG2 3.43Å; V155-V159 PolarHBondContact O-N 3.31Å; V155-L178 HydrophobicContact CG1-CD1 4.23Å
156C56.8Low58.5Low12 Ų1251.6 Ų51.68%0.08125%0.252CS..Hα-helixtrans-58.2-46.9175.3-630000112.4A152 A153 Y154 T158 V159 L160A152-C156 PolarHBondContact O-N 3.4Å; A153-C156 WeakPolarHBondContact O-CB 3.45Å; A153-C156 PolarHBondContact O-N 3.39Å; Y154-C156 VanDerWaalsContact C-N 3.29Å; C156-T158 PolarHBondContact O-N 3.39Å; C156-V159 PolarHBondContact O-N 3.02Å; C156-L160 WeakPolarHBondContact O-CG 3.29Å; C156-L160 PolarHBondContact O-N 2.78Å
157V56.8Low55.8Low2 Ų257 Ų571%0.01227%0.273CS..Hα-helixtrans-64.1-42.1-179.4179.20000112.2L6 V129 L133 A153 Y154 V155 V159 L160 F161 A163L6-V157 HydrophobicContact CD1-CB 4.18Å; L6-V157 HydrophobicContact CD1-CG1 3.66Å; L6-V157 HydrophobicContact CD2-CG1 4.25Å; V129-V157 HydrophobicContact CG1-CG2 3.4Å; V129-V157 VanDerWaalsContact CG1-CG2 3.4Å; L133-V157 HydrophobicContact CD2-CG1 4.11Å; A153-V157 WeakPolarHBondContact O-CG2 3.42Å; A153-V157 PolarHBondContact O-N 2.99Å; Y154-V157 PolarHBondContact O-N 3.48Å; V155-V157 PolarHBondContact O-N 3.49Å; V157-V159 VanDerWaalsContact C-N 3.35Å; V157-V159 PolarHBondContact O-N 2.91Å; V157-L160 PolarHBondContact O-N 3.02Å; V157-F161 PolarHBondContact O-N 3.49Å; V157-A163 HydrophobicContact CG1-CB 4.28Å
158T57.5Low52.8Low45 Ų4567.1 Ų67.128%0.27632%0.317SS..Hα-helixtrans-71.4-27.4-177.553.60000114.3Y154 V155 C156 L160 I165Y154-T158 WeakPolarHBondContact O-CG2 3.43Å; Y154-T158 PolarHBondContact O-N 3.48Å; Y154-T158 PolarHBondContact O-OG1 3.26Å; V155-T158 PolarHBondContact O-N 3.07Å; V155-T158 PolarHBondContact O-OG1 3.4Å; V155-T158 VanDerWaalsContact O-OG1 3.06Å; C156-T158 PolarHBondContact O-N 3.39Å; T158-L160 VanDerWaalsContact C-N 3.31Å; T158-I165 HydrophobicContact CG2-CD1 3.38Å; T158-I165 HydrophobicContact CG2-CG1 4.08Å
159V51.7Low50.2Low88 Ų8869.4 Ų69.453%0.53334%0.336SS..Hα-helixtrans-72-31.6174.8173.10000110.6V155 C156 V157 L178V155-V159 WeakPolarHBondContact O-CG2 3.43Å; V155-V159 PolarHBondContact O-N 3.31Å; C156-V159 PolarHBondContact O-N 3.02Å; V157-V159 VanDerWaalsContact C-N 3.35Å; V157-V159 PolarHBondContact O-N 2.91Å; V159-L178 HydrophobicContact CG2-CB 4.38Å; V159-L178 HydrophobicContact CG2-CD1 3.59Å
160L39.8Very low47.9Very low89 Ų8971.7 Ų71.747%0.46635%0.351SS..Hα-helixtrans-95.1-31.1-174.6-64.2173.1000113.8N130 C156 V157 T158N130-L160 WeakPolarHBondContact ND2-CD1 3.38Å; N130-L160 WeakPolarHBondContact OD1-CD1 3.4Å; C156-L160 WeakPolarHBondContact O-CG 3.29Å; C156-L160 PolarHBondContact O-N 2.78Å; V157-L160 PolarHBondContact O-N 3.02Å; T158-L160 VanDerWaalsContact C-N 3.31Å
161F32.6Very low45.5Very low104 Ų10475.3 Ų75.346%0.45639%0.389SS..SBendtrans-131.9140-175.8-69.4-88.4000111.5L133 V157 A163L133-F161 HydrophobicContact CD2-CD2 3.41Å; L133-F161 VanDerWaalsContact CD2-CD2 3.41Å; L133-F161 HydrophobicContact CD2-CE2 3.61Å; L133-F161 HydrophobicContact CD2-CG 3.98Å; L133-F161 HydrophobicContact CD2-CZ 4.3Å; V157-F161 PolarHBondContact O-N 3.49Å; F161-A163 PolarHBondContact O-N 3.09Å
162R35Very low43.4Very low260 Ų26080.4 Ų80.498%0.98140%0.401SS*.  trans-66.957.5167.4-77.6-178.3162.9179.8-3.4111
163A37Very low41.5Very low28 Ų2890.8 Ų90.823%0.23144%0.435CS..  trans-77.5127.1176.600000109.9L6 V157 F161 I165L6-A163 HydrophobicContact CD1-CB 3.61Å; L6-A163 HydrophobicContact CG-CB 4.31Å; V157-A163 HydrophobicContact CG1-CB 4.28Å; F161-A163 PolarHBondContact O-N 3.09Å; A163-I165 PolarHBondContact O-N 3.18Å
164W35.6Very low39.9Very low207 Ų20795.3 Ų95.378%0.78446%0.458SS*.  trans-76.399.8173.4-108.372.6000108.9
165I44.6Very low38.1Very low40 Ų4097.7 Ų97.721%0.20548%0.483CS..BIsolated β-bridgetrans-69.5132.4170.3-59.6167.8000108.2L6 T158 A163 R167L6-I165 HydrophobicContact CB-CG1 4.49Å; L6-I165 HydrophobicContact CD1-CG1 4.25Å; T158-I165 HydrophobicContact CG2-CD1 3.38Å; T158-I165 HydrophobicContact CG2-CG1 4.08Å; A163-I165 PolarHBondContact O-N 3.18Å; I165-R167 HydrophobicContact CB-CG 3.93Å; I165-R167 VanDerWaalsContact CD1-NH2 3.29Å; I165-R167 HydrophobicContact CG2-CB 4.39Å; I165-R167 HydrophobicContact CG2-CG 3.65Å; I165-R167 PolarHBondContact O-N 2.95Å
166I41.2Very low36.5Very low44 Ų4496.5 Ų96.523%0.22648%0.484CS..  trans-67.379.1166-57.4174.8000107.5Y5 R42 L46Y5-I166 HydrophobicContact CD1-CD1 3.82Å; Y5-I166 HydrophobicContact CD1-CG1 3.98Å; R42-I166 HydrophobicContact CG-CG2 4.28Å; L46-I166 HydrophobicContact CD1-CD1 3.53Å; L46-I166 HydrophobicContact CD1-CG1 4.29Å
167R35Very low35.3Very low114 Ų114100.6 Ų100.643%0.4351%0.512SS..  trans-90.7-12-172-103.4173.1-169.3-176.68.7114.2I165I165-R167 HydrophobicContact CB-CG 3.93Å; I165-R167 VanDerWaalsContact CD1-NH2 3.29Å; I165-R167 HydrophobicContact CG2-CB 4.39Å; I165-R167 HydrophobicContact CG2-CG 3.65Å; I165-R167 PolarHBondContact O-N 2.95Å
168K27Very low33.9Very low213 Ų213106.6 Ų106.693%0.92654%0.544SS*.SBendtrans-90.9-9.7-169.2-83.8-159.9175-171.80116.4
169A30.4Very low32.4Very low48 Ų48112.6 Ų112.640%0.39757%0.566SS.*SBendtrans-88.2-25.4-175.300000115
170C30.8Very low31.2Very low48 Ų48114.4 Ų114.432%0.32458%0.579SS.*SBendtrans-117.69.5-164.2-64.10000116.7W172C170-W172 VanDerWaalsContact C-N 3.26Å; C170-W172 PolarHBondContact O-N 3Å; C170-W172 PolarHBondContact O-NE1 2.63Å
171G26.7Very low30.6Very low80 Ų80118.9 Ų118.983%0.82560%0.598SS**  trans6914.9175.100000116.1
172W25.8Very low30.1Very low156 Ų156117 Ų11759%0.59161%0.608SS**  trans-89.3114.5175.6-64.578.3000110.5R8 C170R8-W172 VanDerWaalsContact NH1-CZ3 3.32Å; C170-W172 VanDerWaalsContact C-N 3.26Å; C170-W172 PolarHBondContact O-N 3Å; C170-W172 PolarHBondContact O-NE1 2.63Å
173R22.6Very low29.6Very low241 Ų241111.5 Ų111.591%0.90960%0.603SS**  trans-81.7128.8162.9-77.3-175.5-174.5-139.61.8108.7A175R173-A175 PolarHBondContact O-N 2.98Å
174L28.7Very low29Very low96 Ų96115.2 Ų115.250%0.50363%0.628SS.*  trans-70.8119.5155.8-118.886.4000107.3G176L174-G176 PolarHBondContact O-N 3.34Å; L174-G176 VanDerWaalsContact O-N 3.15Å
175A25.9Very low28.4Very low74 Ų74116.3 Ų116.361%0.61263%0.632SS**SBendtrans-67.5103.7156.200000107.2R173 W187R173-A175 PolarHBondContact O-N 2.98Å; A175-W187 HydrophobicContact CB-CH2 3.78Å; A175-W187 HydrophobicContact CB-CZ3 3.9Å
176G25.5Very low27.5Very low38 Ų38122.2 Ų122.239%0.39266%0.662SS.*  trans92.6110.2169.400000115.4L174 L178L174-G176 PolarHBondContact O-N 3.34Å; L174-G176 VanDerWaalsContact O-N 3.15Å; G176-L178 PolarHBondContact O-N 3.07Å
177S30.7Very low26.7Very low97 Ų97129.3 Ų129.368%0.67869%0.686SS**  trans-59.3118.7146.9158.50000107.8K179S177-K179 PolarHBondContact O-N 2.96Å
178L28.1Very low26.1Very low129 Ų129129.7 Ų129.768%0.67570%0.701SS**  trans-66.885.8162.4-78.6163.8000107.9V155 V159 G176V155-L178 HydrophobicContact CG1-CD1 4.23Å; V159-L178 HydrophobicContact CG2-CB 4.38Å; V159-L178 HydrophobicContact CG2-CD1 3.59Å; G176-L178 PolarHBondContact O-N 3.07Å
179K25.6Very low25.9Very low170 Ų170125.5 Ų125.574%0.73970%0.696SS**  trans-83.1129.8154-82.9-171.2177.3-175.80106.5S177 Q181S177-K179 PolarHBondContact O-N 2.96Å; K179-Q181 VanDerWaalsContact C-N 3.28Å; K179-Q181 PolarHBondContact O-N 3.27Å
180P26.8Very low26Very low126 Ų126131.5 Ų131.582%0.81872%0.72SS**  trans-80.782.2173.932.8-29.7000107.8
181Q26Very low26.2Very low184 Ų184141.3 Ų141.386%0.8676%0.761SS**  trans-148.8112.9159.5-70.4-160-0.100110.1K179K179-Q181 VanDerWaalsContact C-N 3.28Å; K179-Q181 PolarHBondContact O-N 3.27Å
182G23.7Very low26.2Very low65 Ų65144.4 Ų144.467%0.6776%0.758SS**  trans54.8123.4136.300000119
183T24.7Very low26.2Very low143 Ų143143.8 Ų143.888%0.87777%0.767SS**  trans81.4121152.4670000117.9
184S23.8Very low26.4Very low106 Ų106138.4 Ų138.474%0.74176%0.759SS**  trans-0.3128.516657.90000118.5
185R23.7Very low26.3Very low231 Ų231140.9 Ų140.987%0.87277%0.774SS**  trans-156.8110.4139.5-106.4165.4-138.6-132.66.4110.5
186I24.8Very low26.3Very low163 Ų163145.1 Ų145.184%0.83678%0.784SS**PPolyproline II helixtrans-62.9125.5164.7-64.8163.1000106.8
187W23.3Very low26.4Very low194 Ų194152.2 Ų152.274%0.73581%0.81SS**PPolyproline II helixtrans-82.3126178.1-66.683.4000109.7A175A175-W187 HydrophobicContact CB-CH2 3.78Å; A175-W187 HydrophobicContact CB-CZ3 3.9Å
188T23.1Very low26.1Very low121 Ų121156.1 Ų156.174%0.74282%0.819SS**PPolyproline II helixtrans-101.2146.4165.420.10000109.4
189P23Very low25.9Very low126 Ų126158.2 Ų158.282%0.81883%0.83SS**PPolyproline II helixtrans-77.8137.417732.2-31000110
190L31.6Very low25.9Very low173 Ų173157.3 Ų157.391%0.90684%0.838SS**PPolyproline II helixtrans-91.3117.9171.7-87.4160000109.9
191H36.5Very low25.8Very low255 Ų255160.1 Ų160.1100%1.18184%0.84SS**  trans-72.90137.5-75.5-46000109.6

Retrieved 191 of 191 residues in 78.1 ms (Link to these results)

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