A0A077ZKX5_TRITR Loading...

CbiA and ParBc and KorB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKX5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 531 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M83.5Confident93.3Very high193 Ų19334.6 Ų34.695%0.95116%0.164SC*.  0135.80-170.6174.9-71.600106.1S116M1-S116 CarbonylContact C-O 3.33Å
2A95Very high92.6Very high5 Ų535.3 Ų35.34%0.04119%0.186CC..  trans-67.7145-175.800000111.6S116 Y119 D120 I122A2-S116 VanDerWaalsContact CB-O 3.27Å; A2-S116 WeakPolarHBondContact CB-O 3.42Å; A2-S116 PolarHBondContact N-O 3.39Å; A2-Y119 WeakPolarHBondContact CA-O 3.33Å; A2-Y119 VanDerWaalsContact CB-O 3.28Å; A2-Y119 WeakPolarHBondContact CB-O 3.3Å; A2-Y119 PolarHBondContact N-O 3.47Å; A2-D120 VanDerWaalsContact CA-O 3.31Å; A2-D120 WeakPolarHBondContact CA-O 3.33Å; A2-I122 HydrophobicContact CB-CD1 4.06Å; A2-I122 HydrophobicContact CB-CG1 3.73Å
3R95.7Very high92.2Very high44 Ų4436.8 Ų36.817%0.16622%0.216CC..EExtended strand (participates in β ladder)trans-78.5117.4163-179.170.2171.4-179.1-6.5108.8I5 D120 F121 I122 D142 A143 E179 L253R3-I5 HydrophobicContact CG-CD1 4.05Å; R3-I5 HydrophobicContact CG-CG1 3.89Å; R3-D120 PolarHBondContact N-O 2.89Å; R3-F121 HydrophobicContact CB-CD1 4.33Å; R3-F121 HydrophobicContact CB-CE1 4.47Å; R3-F121 WeakPolarHBondContact O-CA 3.39Å; R3-I122 PolarHBondContact O-N 3.09Å; R3-D142 VanDerWaalsContact NH1-CB 3.27Å; R3-A143 VanDerWaalsContact NH2-CB 3.28Å; R3-E179 IonicContact CZ-OE2 3.39Å; R3-E179 IonicContact NE-OE2 3.35Å; R3-E179 IonicContact NH2-OE2 2.65Å; R3-E179 PolarHBondContact NH2-OE2 2.99Å; R3-L253 HydrophobicContact CB-CD2 4.43Å; R3-L253 HydrophobicContact CG-CD1 4.38Å; R3-L253 HydrophobicContact CG-CD2 3.81Å
4I98Very high92.1Very high16 Ų1634.3 Ų34.38%0.08220%0.201CC..EExtended strand (participates in β ladder)trans-97.2115.7-178.2-50.4175.5000109.2L112 I122 V124 A140 D142 A143I4-L112 HydrophobicContact CD1-CD1 4.17Å; I4-L112 HydrophobicContact CG2-CD1 4.33Å; I4-I122 CarbonylContact C-O 3.5Å; I4-I122 WeakPolarHBondContact CA-O 3.35Å; I4-I122 HydrophobicContact CB-CB 4.44Å; I4-I122 HydrophobicContact CD1-CD1 4.49Å; I4-I122 HydrophobicContact CG1-CB 4.11Å; I4-I122 HydrophobicContact CG1-CD1 4.27Å; I4-I122 HydrophobicContact CG1-CG1 4.42Å; I4-I122 HydrophobicContact CG2-CB 4.19Å; I4-I122 HydrophobicContact CG2-CG2 4.3Å; I4-V124 HydrophobicContact CG2-CG2 4.31Å; I4-A140 VanDerWaalsContact CD1-O 3.27Å; I4-A140 WeakPolarHBondContact CD1-O 3.2Å; I4-D142 PolarHBondContact N-OD2 2.85Å; I4-D142 PolarHBondContact O-N 3.47Å; I4-A143 PolarHBondContact O-N 2.84Å
5I98Very high92.2Very high0 Ų032.6 Ų32.60%019%0.194CC..EExtended strand (participates in β ladder)trans-120.4117.1-176.3-52.9175.7000109.9R3 F121 I122 L123 V124 A143 L145 E179 V249R3-I5 HydrophobicContact CG-CD1 4.05Å; R3-I5 HydrophobicContact CG-CG1 3.89Å; I5-F121 HydrophobicContact CD1-CD1 4.28Å; I5-F121 HydrophobicContact CD1-CE1 4.35Å; I5-I122 PolarHBondContact N-O 3.28Å; I5-L123 HydrophobicContact CB-CD2 3.91Å; I5-L123 HydrophobicContact CD1-CD2 4.36Å; I5-L123 HydrophobicContact CG1-CD2 4.47Å; I5-L123 WeakPolarHBondContact O-CA 3.43Å; I5-V124 PolarHBondContact O-N 3.16Å; I5-A143 WeakPolarHBondContact CA-O 3.44Å; I5-L145 HydrophobicContact CG2-CB 3.86Å; I5-E179 HydrophobicContact CD1-CG 4.36Å; I5-V249 HydrophobicContact CD1-CG1 4.46Å
6S98.3Very high92.5Very high0 Ų031.3 Ų31.30%019%0.185CC..EExtended strand (participates in β ladder)trans-82.6128.9170-78.30000111A137 S141 A143 I144 L145S6-A137 WeakPolarHBondContact OG-CB 3.38Å; S6-A137 PolarHBondContact OG-O 3.47Å; S6-S141 PolarHBondContact OG-OG 2.86Å; S6-A143 PolarHBondContact N-O 3.22Å; S6-I144 CarbonylContact O-C 3.56Å; S6-I144 VanDerWaalsContact O-CA 3.29Å; S6-I144 WeakPolarHBondContact O-CA 3.42Å; S6-L145 PolarHBondContact O-N 2.77Å
7V98.1Very high92.7Very high0 Ų031.1 Ų31.10%018%0.184CC..EExtended strand (participates in β ladder)trans-96.5104.2172.1-176.10000108.3K16 T19 T20 V124 C126 L145 P147V7-K16 HydrophobicContact CG1-CB 4.16Å; V7-T19 HydrophobicContact CG1-CG2 4.44Å; V7-T20 WeakPolarHBondContact CB-OG1 3.34Å; V7-T20 HydrophobicContact CG2-CG2 4.27Å; V7-T20 WeakPolarHBondContact CG2-OG1 3.44Å; V7-V124 PolarHBondContact N-O 3.06Å; V7-C126 WeakPolarHBondContact O-CB 3.4Å; V7-C126 PolarHBondContact O-N 2.92Å; V7-L145 WeakPolarHBondContact CA-O 3.27Å; V7-L145 HydrophobicContact CG1-CD2 4.26Å; V7-L145 HydrophobicContact CG2-CB 4.46Å; V7-P147 HydrophobicContact CG1-CG 3.58Å
8A96Very high93Very high1 Ų131.4 Ų31.41%0.00819%0.187CC..  trans-137.4145.1-167.900000114.6C126 F138 I144 L145 L161A8-C126 HydrophobicContact CB-CB 3.91Å; A8-F138 HydrophobicContact CB-CE1 3.46Å; A8-F138 VanDerWaalsContact CB-CE1 3.46Å; A8-F138 HydrophobicContact CB-CZ 3.56Å; A8-I144 HydrophobicContact CB-CG2 4.15Å; A8-L145 PolarHBondContact N-O 3.13Å; A8-L161 HydrophobicContact CB-CD1 4.28Å
9N91.6Very high93.3Very high7 Ų729.8 Ų29.84%0.03718%0.177CC..  trans-167.9134.6171.4-167.1-36.1000107.8K11 V14 K16 P147N9-K11 PolarHBondContact O-N 3.14Å; N9-K11 PolarHBondContact OD1-N 3.45Å; N9-V14 HydrophobicContact CB-CG2 3.66Å; N9-K16 HydrophobicContact CB-CD 4.15Å; N9-K16 HydrophobicContact CB-CG 4.36Å; N9-K16 PolarHBondContact O-NZ 3.1Å; N9-P147 PolarHBondContact ND2-O 2.82Å
10Q87.1Confident93.5Very high54 Ų5428.3 Ų28.325%0.25217%0.168SC..SBendtrans-59.8-34.3176.3-172.6-173.420.300112.2G12 P128 L130 Q160Q10-G12 PolarHBondContact O-N 2.95Å; Q10-P128 CarbonylContact O-C 3.56Å; Q10-P128 VanDerWaalsContact O-O 3.07Å; Q10-L130 HydrophobicContact CB-CD1 4.23Å; Q10-L130 HydrophobicContact CB-CG 4.32Å; Q10-L130 HydrophobicContact CG-CD1 4.12Å; Q10-L130 HydrophobicContact CG-CG 4.23Å; Q10-Q160 VanDerWaalsContact CD-OE1 3.3Å; Q10-Q160 VanDerWaalsContact OE1-CB 3.28Å; Q10-Q160 VanDerWaalsContact OE1-OE1 3.09Å
11K85Confident93.7Very high61 Ų6127.3 Ų27.327%0.26516%0.163SC..SBendtrans-73.7131.3-179.5-170.1-177.5176.7-161.50110.7N9 V14 K16 E151N9-K11 PolarHBondContact O-N 3.14Å; N9-K11 PolarHBondContact OD1-N 3.45Å; K11-V14 HydrophobicContact CB-CG1 3.69Å; K11-V14 HydrophobicContact CD-CG1 3.81Å; K11-V14 HydrophobicContact CG-CG1 3.83Å; K11-K16 PolarHBondContact O-NZ 3.02Å; K11-E151 IonicContact NZ-OE2 3.6Å
12G85.5Confident94.4Very high42 Ų4218.4 Ų18.443%0.43312%0.119SC..THydrogen-bonded Turntrans-68.6150.5168.400000112Q10 V14Q10-G12 PolarHBondContact O-N 2.95Å; G12-V14 VanDerWaalsContact C-N 3.32Å; G12-V14 PolarHBondContact O-N 2.87Å
13G86.9Confident94.6Very high56 Ų5618.1 Ų18.158%0.57712%0.117SC*.THydrogen-bonded Turntrans75.78.4172.900000116.5G15 M185G13-G15 PolarHBondContact O-N 3.45Å; G13-M185 WeakPolarHBondContact O-CE 3.32Å
14V91.2Very high94.7Very high1 Ų116 Ų161%0.00611%0.109CC..SBendtrans-80.12.2178.3-57.10000114.7N9 K11 G12 K16 P147 Q149 T184N9-V14 HydrophobicContact CB-CG2 3.66Å; K11-V14 HydrophobicContact CB-CG1 3.69Å; K11-V14 HydrophobicContact CD-CG1 3.81Å; K11-V14 HydrophobicContact CG-CG1 3.83Å; G12-V14 VanDerWaalsContact C-N 3.32Å; G12-V14 PolarHBondContact O-N 2.87Å; V14-K16 HydrophobicContact CG2-CG 3.81Å; V14-P147 HydrophobicContact CG2-CB 4.29Å; V14-Q149 HydrophobicContact CB-CB 4.15Å; V14-Q149 HydrophobicContact CG1-CB 3.96Å; V14-T184 PolarHBondContact O-OG1 3.26Å
15G93.7Very high94.7Very high9 Ų915.3 Ų15.39%0.09311%0.105CC..SBendtrans88.827.7-178.900000115.5G13 T19G13-G15 PolarHBondContact O-N 3.45Å; G15-T19 WeakPolarHBondContact O-CB 3.49Å; G15-T19 PolarHBondContact O-N 3.34Å; G15-T19 PolarHBondContact O-OG1 3.3Å
16K96.4Very high94.7Very high11 Ų1115.3 Ų15.35%0.04811%0.105CC..Hα-helixtrans-56-68.2172.7-63.1-170.2-67.5-84.70112V7 N9 K11 V14 T18 T19 T20 C126 P147V7-K16 HydrophobicContact CG1-CB 4.16Å; N9-K16 HydrophobicContact CB-CD 4.15Å; N9-K16 HydrophobicContact CB-CG 4.36Å; N9-K16 PolarHBondContact O-NZ 3.1Å; K11-K16 PolarHBondContact O-NZ 3.02Å; V14-K16 HydrophobicContact CG2-CG 3.81Å; K16-T18 VanDerWaalsContact C-N 3.28Å; K16-T18 PolarHBondContact O-N 3.35Å; K16-T19 CarbonylContact O-C 3.6Å; K16-T19 WeakPolarHBondContact O-CA 3.42Å; K16-T19 WeakPolarHBondContact O-CB 3.45Å; K16-T19 PolarHBondContact O-N 3.2Å; K16-T20 PolarHBondContact O-N 2.86Å; K16-T20 PolarHBondContact O-OG1 3.18Å; K16-C126 WeakPolarHBondContact CE-O 3.44Å; K16-P147 HydrophobicContact CG-CG 4.34Å
17T97Very high94.7Very high28 Ų2815.3 Ų15.317%0.17211%0.105CC..Hα-helixtrans-53.5-44.4177.5-53.20000112.9T19 T20 V21 N44 A45 D125T17-T19 VanDerWaalsContact C-N 3.26Å; T17-T19 PolarHBondContact O-N 2.64Å; T17-T20 PolarHBondContact O-N 3.04Å; T17-V21 HydrophobicContact CG2-CG2 4.28Å; T17-V21 WeakPolarHBondContact O-CB 3.38Å; T17-V21 WeakPolarHBondContact O-CG2 3.5Å; T17-V21 PolarHBondContact O-N 2.64Å; T17-N44 HydrophobicContact CG2-CB 3.73Å; T17-A45 HydrophobicContact CG2-CB 3.96Å; T17-A45 VanDerWaalsContact CG2-N 3.34Å; T17-D125 VanDerWaalsContact CA-OD1 3.27Å; T17-D125 WeakPolarHBondContact CA-OD1 3.42Å; T17-D125 VanDerWaalsContact CA-OD2 3.26Å; T17-D125 WeakPolarHBondContact CA-OD2 3.38Å; T17-D125 WeakPolarHBondContact CB-OD2 3.29Å; T17-D125 WeakPolarHBondContact CG2-OD2 3.47Å; T17-D125 PolarHBondContact N-OD1 2.86Å; T17-D125 VanDerWaalsContact N-OD1 3.11Å; T17-D125 PolarHBondContact OG1-OD2 2.89Å
18T97.1Very high94.7Very high38 Ų3815.6 Ų15.623%0.23311%0.107CC..Hα-helixtrans-58.6-41.4177.1-49.90000111K16 N22 L219 Y242K16-T18 VanDerWaalsContact C-N 3.28Å; K16-T18 PolarHBondContact O-N 3.35Å; T18-N22 WeakPolarHBondContact O-CB 3.28Å; T18-N22 PolarHBondContact O-N 3.15Å; T18-N22 PolarHBondContact O-ND2 3.48Å; T18-L219 HydrophobicContact CG2-CD1 3.83Å; T18-L219 HydrophobicContact CG2-CD2 3.76Å; T18-L219 HydrophobicContact CG2-CG 3.64Å; T18-Y242 HydrophobicContact CG2-CE2 4.36Å
19T97.9Very high94.7Very high0 Ų019.9 Ų19.90%013%0.127CC..Hα-helixtrans-69-49.3176.4-600000111.2V7 G15 K16 T17 V21 N22 L23 L145 L182 Y242 L245V7-T19 HydrophobicContact CG1-CG2 4.44Å; G15-T19 WeakPolarHBondContact O-CB 3.49Å; G15-T19 PolarHBondContact O-N 3.34Å; G15-T19 PolarHBondContact O-OG1 3.3Å; K16-T19 CarbonylContact O-C 3.6Å; K16-T19 WeakPolarHBondContact O-CA 3.42Å; K16-T19 WeakPolarHBondContact O-CB 3.45Å; K16-T19 PolarHBondContact O-N 3.2Å; T17-T19 VanDerWaalsContact C-N 3.26Å; T17-T19 PolarHBondContact O-N 2.64Å; T19-V21 PolarHBondContact O-N 3.1Å; T19-N22 PolarHBondContact O-N 3.08Å; T19-L23 WeakPolarHBondContact O-CB 3.49Å; T19-L23 PolarHBondContact O-N 3.28Å; T19-L145 HydrophobicContact CG2-CD1 4.47Å; T19-L145 HydrophobicContact CG2-CD2 3.9Å; T19-L182 HydrophobicContact CG2-CD2 3.59Å; T19-Y242 HydrophobicContact CG2-CE1 4.23Å; T19-Y242 PolarHBondContact N-OH 3.01Å; T19-Y242 PolarHBondContact OG1-OH 2.92Å; T19-L245 HydrophobicContact CG2-CD2 4.29Å
20T98.3Very high94.8Very high0 Ų023.1 Ų23.10%014%0.144CC..Hα-helixtrans-55.3-51.2-179.1-41.90000111.3V7 K16 T17 G24 L36 L123 D125V7-T20 WeakPolarHBondContact CB-OG1 3.34Å; V7-T20 HydrophobicContact CG2-CG2 4.27Å; V7-T20 WeakPolarHBondContact CG2-OG1 3.44Å; K16-T20 PolarHBondContact O-N 2.86Å; K16-T20 PolarHBondContact O-OG1 3.18Å; T17-T20 PolarHBondContact O-N 3.04Å; T20-G24 PolarHBondContact O-N 3.33Å; T20-L36 HydrophobicContact CG2-CD2 3.61Å; T20-L36 HydrophobicContact CG2-CG 4.24Å; T20-L123 HydrophobicContact CG2-CB 3.78Å; T20-D125 HydrophobicContact CG2-CB 3.96Å; T20-D125 PolarHBondContact OG1-OD1 3.34Å
21V98.1Very high95.2Very high8 Ų822.9 Ų22.95%0.04816%0.156CC..Hα-helixtrans-62.2-50.1-179.5168.20000111.9T17 T19 A25 L36 A45 L49 P228T17-V21 HydrophobicContact CG2-CG2 4.28Å; T17-V21 WeakPolarHBondContact O-CB 3.38Å; T17-V21 WeakPolarHBondContact O-CG2 3.5Å; T17-V21 PolarHBondContact O-N 2.64Å; T19-V21 PolarHBondContact O-N 3.1Å; V21-A25 WeakPolarHBondContact O-CB 3.14Å; V21-A25 PolarHBondContact O-N 3.13Å; V21-L36 HydrophobicContact CG2-CD2 4.33Å; V21-A45 HydrophobicContact CG2-CB 3.94Å; V21-L49 HydrophobicContact CG1-CD2 3.78Å; V21-L49 HydrophobicContact CG1-CG 4.39Å; V21-L49 HydrophobicContact CG2-CG 4.44Å; V21-P228 HydrophobicContact CG1-CB 4.3Å; V21-P228 HydrophobicContact CG1-CG 4.14Å
22N98.3Very high95.8Very high5 Ų523.4 Ų23.43%0.02716%0.158CC..Hα-helixtrans-78.7-36-172.1-68.1-64.1000112.7T18 T19 A25 C26 I229 Y242T18-N22 WeakPolarHBondContact O-CB 3.28Å; T18-N22 PolarHBondContact O-N 3.15Å; T18-N22 PolarHBondContact O-ND2 3.48Å; T19-N22 PolarHBondContact O-N 3.08Å; N22-A25 PolarHBondContact O-N 3.12Å; N22-C26 WeakPolarHBondContact O-CB 3.39Å; N22-C26 PolarHBondContact O-N 3.07Å; N22-C26 PolarHBondContact O-SG 3.16Å; N22-I229 HydrophobicContact CB-CG2 4.26Å; N22-I229 WeakPolarHBondContact OD1-CB 2.97Å; N22-I229 WeakPolarHBondContact OD1-CG2 2.96Å; N22-I229 PolarHBondContact OD1-N 3.37Å; N22-Y242 HydrophobicContact CB-CD1 3.7Å; N22-Y242 HydrophobicContact CB-CD2 3.62Å; N22-Y242 HydrophobicContact CB-CE1 4Å; N22-Y242 HydrophobicContact CB-CE2 3.9Å; N22-Y242 HydrophobicContact CB-CG 3.51Å
23L98.2Very high96.4Very high0 Ų026.5 Ų26.50%016%0.16CC..Hα-helixtrans-61.7-49.3171.4177.957.5000110.3T19 A25 C26 L27 L123 L145 L245 A246 V249T19-L23 WeakPolarHBondContact O-CB 3.49Å; T19-L23 PolarHBondContact O-N 3.28Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 3.03Å; L23-C26 PolarHBondContact O-N 2.75Å; L23-C26 VanDerWaalsContact O-N 3.16Å; L23-L27 HydrophobicContact CD1-CD1 4.09Å; L23-L27 HydrophobicContact CD1-CG 4.07Å; L23-L27 HydrophobicContact CG-CD1 3.99Å; L23-L27 HydrophobicContact CG-CG 4.41Å; L23-L27 WeakPolarHBondContact O-CG 3.41Å; L23-L27 PolarHBondContact O-N 3.26Å; L23-L123 HydrophobicContact CB-CD1 4.36Å; L23-L123 HydrophobicContact CD2-CD1 4.35Å; L23-L123 HydrophobicContact CG-CD1 4.17Å; L23-L145 HydrophobicContact CD2-CD1 3.86Å; L23-L245 HydrophobicContact CD1-CD2 4.45Å; L23-L245 HydrophobicContact CD1-CG 4.26Å; L23-A246 HydrophobicContact CD1-CB 3.96Å; L23-V249 HydrophobicContact CD1-CB 4.49Å; L23-V249 HydrophobicContact CD1-CG2 4.09Å; L23-V249 HydrophobicContact CD2-CG2 4.32Å
24G98.2Very high97Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-59.9-41.517900000112.8T20 C26 L27 A28T20-G24 PolarHBondContact O-N 3.33Å; G24-C26 PolarHBondContact O-N 2.89Å; G24-L27 PolarHBondContact O-N 3.19Å; G24-A28 WeakPolarHBondContact O-CB 3.36Å; G24-A28 PolarHBondContact O-N 2.88Å
25A98.2Very high97.3Very high0 Ų023.8 Ų23.80%013%0.132CC..Hα-helixtrans-65.9-36.9176.500000113.1V21 N22 L23 Q29 R79 L82 P228 I230V21-A25 WeakPolarHBondContact O-CB 3.14Å; V21-A25 PolarHBondContact O-N 3.13Å; N22-A25 PolarHBondContact O-N 3.12Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 3.03Å; A25-Q29 PolarHBondContact O-N 2.78Å; A25-R79 PolarHBondContact O-NH1 2.86Å; A25-L82 HydrophobicContact CB-CD2 4.19Å; A25-P228 HydrophobicContact CB-CB 3.43Å; A25-P228 VanDerWaalsContact CB-CB 3.43Å; A25-P228 HydrophobicContact CB-CG 3.49Å; A25-P228 VanDerWaalsContact CB-CG 3.49Å; A25-I230 HydrophobicContact CB-CD1 3.64Å; A25-I230 HydrophobicContact CB-CG1 4.07Å; A25-I230 VanDerWaalsContact O-CD1 3.27Å; A25-I230 WeakPolarHBondContact O-CD1 3.48Å
26C97.9Very high97.6Very high1 Ų123.4 Ų23.41%0.00713%0.128CC..Hα-helixtrans-71.4-42.1176.4-66.90000111.9N22 L23 G24 A28 Q29 D30 A246N22-C26 WeakPolarHBondContact O-CB 3.39Å; N22-C26 PolarHBondContact O-N 3.07Å; N22-C26 PolarHBondContact O-SG 3.16Å; L23-C26 PolarHBondContact O-N 2.75Å; L23-C26 VanDerWaalsContact O-N 3.16Å; G24-C26 PolarHBondContact O-N 2.89Å; C26-A28 VanDerWaalsContact C-N 3.3Å; C26-A28 PolarHBondContact O-N 3.43Å; C26-Q29 WeakPolarHBondContact O-CA 3.39Å; C26-Q29 VanDerWaalsContact O-CB 3.22Å; C26-Q29 WeakPolarHBondContact O-CB 3.42Å; C26-Q29 PolarHBondContact O-N 3.41Å; C26-Q29 VanDerWaalsContact O-N 3.1Å; C26-D30 PolarHBondContact O-N 3.06Å; C26-D30 VanDerWaalsContact O-N 3.1Å; C26-A246 HydrophobicContact CB-CB 3.46Å; C26-A246 VanDerWaalsContact CB-CB 3.46Å
27L97.7Very high97.7Very high0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-59.7-42173.2-70.9171.7000111.3L23 G24 Q29 D30 G31 K32 V34 F121 L123 A246 L250L23-L27 HydrophobicContact CD1-CD1 4.09Å; L23-L27 HydrophobicContact CD1-CG 4.07Å; L23-L27 HydrophobicContact CG-CD1 3.99Å; L23-L27 HydrophobicContact CG-CG 4.41Å; L23-L27 WeakPolarHBondContact O-CG 3.41Å; L23-L27 PolarHBondContact O-N 3.26Å; G24-L27 PolarHBondContact O-N 3.19Å; L27-Q29 VanDerWaalsContact C-N 3.33Å; L27-Q29 PolarHBondContact O-N 2.96Å; L27-D30 CarbonylContact O-C 3.44Å; L27-D30 PolarHBondContact O-N 3.19Å; L27-G31 PolarHBondContact O-N 3.41Å; L27-K32 HydrophobicContact CB-CB 4.44Å; L27-K32 WeakPolarHBondContact O-CB 3.27Å; L27-K32 PolarHBondContact O-N 2.79Å; L27-K32 VanDerWaalsContact O-N 3.14Å; L27-V34 HydrophobicContact CB-CG2 3.73Å; L27-F121 HydrophobicContact CD1-CD1 3.95Å; L27-F121 HydrophobicContact CD1-CD2 4.4Å; L27-F121 HydrophobicContact CD1-CE1 4.15Å; L27-F121 HydrophobicContact CD1-CG 4.05Å; L27-F121 HydrophobicContact CD2-CE2 4.36Å; L27-F121 HydrophobicContact CD2-CZ 4.2Å; L27-L123 HydrophobicContact CD1-CD1 4.4Å; L27-A246 HydrophobicContact CD2-CB 4.27Å; L27-A246 HydrophobicContact CG-CB 4.42Å; L27-L250 HydrophobicContact CD2-CD1 4.16Å; L27-L250 HydrophobicContact CD2-CD2 3.89Å; L27-L250 HydrophobicContact CD2-CG 3.74Å
28A97.8Very high97.7Very high5 Ų521.5 Ų21.54%0.04112%0.117CC..Hα-helixtrans-64.7-35.2174.100000113G24 C26 D30 G31 K32 V34 N81 L82G24-A28 WeakPolarHBondContact O-CB 3.36Å; G24-A28 PolarHBondContact O-N 2.88Å; C26-A28 VanDerWaalsContact C-N 3.3Å; C26-A28 PolarHBondContact O-N 3.43Å; A28-D30 PolarHBondContact O-N 3.42Å; A28-G31 PolarHBondContact O-N 3.43Å; A28-G31 VanDerWaalsContact O-N 3.12Å; A28-K32 WeakPolarHBondContact CA-O 3.47Å; A28-V34 HydrophobicContact CB-CG2 4.27Å; A28-N81 HydrophobicContact CB-CB 4.24Å; A28-L82 HydrophobicContact CB-CB 4.05Å; A28-L82 HydrophobicContact CB-CD1 4.38Å
29Q96.3Very high97.7Very high92 Ų9219.7 Ų19.743%0.4311%0.106SC..Hα-helixtrans-60.2-36.9172.7-165.5-178.2-36.100111.8A25 C26 L27 G31 I230A25-Q29 PolarHBondContact O-N 2.78Å; C26-Q29 WeakPolarHBondContact O-CA 3.39Å; C26-Q29 VanDerWaalsContact O-CB 3.22Å; C26-Q29 WeakPolarHBondContact O-CB 3.42Å; C26-Q29 PolarHBondContact O-N 3.41Å; C26-Q29 VanDerWaalsContact O-N 3.1Å; L27-Q29 VanDerWaalsContact C-N 3.33Å; L27-Q29 PolarHBondContact O-N 2.96Å; Q29-G31 PolarHBondContact O-N 2.92Å; Q29-I230 HydrophobicContact CB-CD1 4.4Å
30D94.8Very high97.6Very high75 Ų7520.5 Ų20.540%0.40111%0.11SC..THydrogen-bonded Turntrans-84.916.2178.7-69.6-8.8000112.5C26 L27 A28 L250C26-D30 PolarHBondContact O-N 3.06Å; C26-D30 VanDerWaalsContact O-N 3.1Å; L27-D30 CarbonylContact O-C 3.44Å; L27-D30 PolarHBondContact O-N 3.19Å; A28-D30 PolarHBondContact O-N 3.42Å; D30-L250 HydrophobicContact CB-CD1 4.14Å
31G95.6Very high97.3Very high48 Ų4821.2 Ų21.250%0.49512%0.117SC..THydrogen-bonded Turntrans86.75.4170.100000115.4L27 A28 Q29L27-G31 PolarHBondContact O-N 3.41Å; A28-G31 PolarHBondContact O-N 3.43Å; A28-G31 VanDerWaalsContact O-N 3.12Å; Q29-G31 PolarHBondContact O-N 2.92Å
32K97.4Very high97Very high72 Ų7226.3 Ų26.331%0.31314%0.14SC..  trans-80.5139.7177.4-58.9-61.7-173.2172.30111.4L27 A28 V34 N81 D120 F121 L250L27-K32 HydrophobicContact CB-CB 4.44Å; L27-K32 WeakPolarHBondContact O-CB 3.27Å; L27-K32 PolarHBondContact O-N 2.79Å; L27-K32 VanDerWaalsContact O-N 3.14Å; A28-K32 WeakPolarHBondContact CA-O 3.47Å; K32-V34 HydrophobicContact CB-CG2 4.26Å; K32-V34 PolarHBondContact O-N 3.26Å; K32-N81 VanDerWaalsContact O-CB 3.28Å; K32-N81 WeakPolarHBondContact O-CB 3.33Å; K32-D120 WeakPolarHBondContact CA-OD2 3.49Å; K32-D120 HydrophobicContact CB-CB 4.19Å; K32-D120 HydrophobicContact CD-CB 4.11Å; K32-F121 HydrophobicContact CB-CD2 3.96Å; K32-F121 HydrophobicContact CB-CE2 4.16Å; K32-F121 HydrophobicContact CD-CE2 4.02Å; K32-F121 HydrophobicContact CG-CD2 4.15Å; K32-F121 HydrophobicContact CG-CE2 3.81Å; K32-L250 HydrophobicContact CD-CD2 4.39Å; K32-L250 HydrophobicContact CG-CD2 4.11Å
33K98.2Very high96.9Very high108 Ų10826 Ų2647%0.4714%0.138SC..  trans-77.7115.4168.7-66.6-178.5-176.1176.30109.5E118 Y119 D120 F121K33-E118 VanDerWaalsContact CD-O 3.31Å; K33-E118 WeakPolarHBondContact CD-O 3.33Å; K33-Y119 HydrophobicContact CB-CD1 4.09Å; K33-D120 PolarHBondContact N-OD2 2.93Å; K33-D120 PolarHBondContact O-N 3.4Å; K33-F121 PolarHBondContact O-N 2.97Å
34V98.6Very high96.8Very high0 Ų029.4 Ų29.40%016%0.157CC..EExtended strand (participates in β ladder)trans-118.9129.4-175.5-172.60000110.7L27 A28 K32 L36 N81 L82 S83 F121 L123L27-V34 HydrophobicContact CB-CG2 3.73Å; A28-V34 HydrophobicContact CB-CG2 4.27Å; K32-V34 HydrophobicContact CB-CG2 4.26Å; K32-V34 PolarHBondContact O-N 3.26Å; V34-L36 HydrophobicContact CG1-CD1 4.15Å; V34-N81 PolarHBondContact N-O 2.75Å; V34-L82 HydrophobicContact CB-CD1 3.82Å; V34-L82 HydrophobicContact CG1-CD1 3.96Å; V34-S83 PolarHBondContact O-N 2.6Å; V34-F121 WeakPolarHBondContact CA-O 3.27Å; V34-F121 HydrophobicContact CG1-CB 4.3Å; V34-F121 HydrophobicContact CG2-CB 4.28Å; V34-L123 HydrophobicContact CG1-CD1 4.3Å; V34-L123 HydrophobicContact CG1-CG 4.25Å
35L98.7Very high96.8Very high0 Ų029.4 Ų29.40%016%0.157CC..EExtended strand (participates in β ladder)trans-106.1121165.8-177.662.1000109.4I37 I74 V85 V115 Y119 F121 I122 L123L35-I37 HydrophobicContact CG-CG1 4.39Å; L35-I74 HydrophobicContact CD1-CD1 4.33Å; L35-I74 HydrophobicContact CD1-CG1 4.08Å; L35-I74 HydrophobicContact CD1-CG2 4.24Å; L35-I74 HydrophobicContact CD2-CD1 4.26Å; L35-V85 HydrophobicContact CD1-CG2 4.18Å; L35-V85 HydrophobicContact CD2-CG2 4.39Å; L35-V115 HydrophobicContact CD2-CG2 4.25Å; L35-Y119 HydrophobicContact CB-CD1 3.75Å; L35-Y119 HydrophobicContact CB-CD2 4.01Å; L35-Y119 HydrophobicContact CB-CE1 3.77Å; L35-Y119 HydrophobicContact CB-CE2 4.05Å; L35-Y119 HydrophobicContact CB-CG 3.88Å; L35-Y119 HydrophobicContact CD1-CE1 4.45Å; L35-Y119 HydrophobicContact CD1-CE2 4.48Å; L35-Y119 HydrophobicContact CD2-CD2 4.26Å; L35-Y119 HydrophobicContact CD2-CE2 3.99Å; L35-Y119 HydrophobicContact CG-CE2 4.41Å; L35-F121 PolarHBondContact N-O 2.88Å; L35-I122 HydrophobicContact CB-CG1 4.2Å; L35-I122 HydrophobicContact CB-CG2 4.46Å; L35-I122 HydrophobicContact CD2-CD1 4.39Å; L35-I122 CarbonylContact O-C 3.53Å; L35-I122 VanDerWaalsContact O-CA 3.27Å; L35-I122 WeakPolarHBondContact O-CA 3.14Å; L35-L123 PolarHBondContact O-N 2.94Å
36L98.6Very high96.7Very high0 Ų029.4 Ų29.40%016%0.157CC..EExtended strand (participates in β ladder)trans-87.5143.7164.6-82.793.1000110.6T20 V21 V34 L49 L82 S83 I84 V85 L123T20-L36 HydrophobicContact CG2-CD2 3.61Å; T20-L36 HydrophobicContact CG2-CG 4.24Å; V21-L36 HydrophobicContact CG2-CD2 4.33Å; V34-L36 HydrophobicContact CG1-CD1 4.15Å; L36-L49 HydrophobicContact CD1-CD1 4.14Å; L36-L49 HydrophobicContact CD2-CD1 4.17Å; L36-L82 HydrophobicContact CD1-CD1 3.25Å; L36-L82 HydrophobicContact CD1-CG 4.12Å; L36-S83 PolarHBondContact N-O 3.36Å; L36-I84 HydrophobicContact CB-CB 4.34Å; L36-I84 HydrophobicContact CB-CD1 4.3Å; L36-I84 HydrophobicContact CB-CG1 4.12Å; L36-I84 CarbonylContact O-C 3.32Å; L36-I84 VanDerWaalsContact O-CA 3.25Å; L36-I84 WeakPolarHBondContact O-CA 3.47Å; L36-V85 PolarHBondContact O-N 3.43Å; L36-L123 CarbonylContact C-O 3.46Å; L36-L123 WeakPolarHBondContact CA-O 3.46Å; L36-L123 HydrophobicContact CG-CB 4.44Å
37I98.7Very high96.6Very high0 Ų031.4 Ų31.40%017%0.171CC..EExtended strand (participates in β ladder)trans-122.5112.3169.6-56.1179.7000107L35 S39 I60 I70 V85 L108 L112 I122 L123 V124 D125L35-I37 HydrophobicContact CG-CG1 4.39Å; I37-S39 PolarHBondContact O-N 3.4Å; I37-I60 HydrophobicContact CG2-CD1 3.66Å; I37-I60 HydrophobicContact CG2-CG1 4.03Å; I37-I70 HydrophobicContact CD1-CD1 4.45Å; I37-V85 HydrophobicContact CG1-CB 4.27Å; I37-V85 HydrophobicContact CG1-CG2 4.3Å; I37-V85 HydrophobicContact CG2-CB 4.34Å; I37-L108 HydrophobicContact CD1-CD1 4.25Å; I37-L112 HydrophobicContact CD1-CD1 4.01Å; I37-L112 HydrophobicContact CD1-CD2 3.37Å; I37-L112 HydrophobicContact CD1-CG 4.21Å; I37-I122 HydrophobicContact CD1-CG2 3.61Å; I37-I122 HydrophobicContact CG1-CG2 4.03Å; I37-L123 PolarHBondContact N-O 3Å; I37-V124 HydrophobicContact CB-CG1 4.33Å; I37-V124 HydrophobicContact CB-CG2 4.36Å; I37-V124 HydrophobicContact CD1-CG2 4.3Å; I37-V124 HydrophobicContact CG2-CG1 4.43Å; I37-D125 PolarHBondContact O-N 2.81Å
38D98.3Very high96.4Very high0 Ų031.6 Ų31.60%017%0.172CC..EExtended strand (participates in β ladder)trans-79.9113.8171.6-163.7-13.5000107.7D40 G43 N44 A45 T46 I60 I84 V85 A87D38-D40 PolarHBondContact OD1-N 2.94Å; D38-G43 WeakPolarHBondContact OD2-CA 3.23Å; D38-N44 PolarHBondContact OD2-N 2.97Å; D38-A45 HydrophobicContact CB-CB 4.06Å; D38-A45 PolarHBondContact OD2-N 3.23Å; D38-A45 VanDerWaalsContact OD2-N 3.14Å; D38-T46 WeakPolarHBondContact CB-OG1 3.41Å; D38-T46 WeakPolarHBondContact OD2-CB 3.3Å; D38-T46 PolarHBondContact OD2-N 3.28Å; D38-T46 PolarHBondContact OD2-OG1 3.17Å; D38-I60 VanDerWaalsContact O-CG2 3.24Å; D38-I60 WeakPolarHBondContact O-CG2 3.43Å; D38-I84 HydrophobicContact CB-CD1 4.48Å; D38-V85 PolarHBondContact N-O 2.88Å; D38-A87 HydrophobicContact CB-CB 3.87Å; D38-A87 WeakPolarHBondContact O-CB 3.37Å
39S96.6Very high96.3Very high0 Ų031.6 Ų31.60%017%0.172CC..  trans-113.213.9178.9-162.10000111.6I37 L91 D125 P127I37-S39 PolarHBondContact O-N 3.4Å; S39-L91 WeakPolarHBondContact O-CD2 3.46Å; S39-D125 WeakPolarHBondContact CA-O 3.32Å; S39-D125 VanDerWaalsContact CB-O 3.31Å; S39-D125 WeakPolarHBondContact CB-O 3.32Å; S39-D125 PolarHBondContact N-O 2.87Å; S39-P127 WeakPolarHBondContact O-CD 3.49Å
40D95.1Very high96.3Very high16 Ų1629.3 Ų29.39%0.08617%0.173CC..SBendtrans-99.7127.1173.1-168.9-28.6000109.4D38 Q42 G43 A87 P127 P128D38-D40 PolarHBondContact OD1-N 2.94Å; D40-Q42 PolarHBondContact O-N 3Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.47Å; D40-Q42 WeakPolarHBondContact OD1-CG 3.38Å; D40-Q42 PolarHBondContact OD1-N 3.47Å; D40-G43 WeakPolarHBondContact O-CA 3.35Å; D40-G43 PolarHBondContact O-N 3.18Å; D40-A87 WeakPolarHBondContact O-CB 3.35Å; D40-P127 HydrophobicContact CB-CB 4.36Å; D40-P128 WeakPolarHBondContact OD2-CD 3.4Å
41A92Very high96.3Very high16 Ų1626.8 Ų26.813%0.13216%0.16CC..THydrogen-bonded Turntrans-60.7-17.6177.800000113.3G43 L91 A92A41-G43 PolarHBondContact O-N 3.2Å; A41-L91 HydrophobicContact CB-CB 4Å; A41-L91 HydrophobicContact CB-CG 4.47Å; A41-A92 HydrophobicContact CB-CB 3.93Å
42Q93Very high96.2Very high114 Ų11432.6 Ų32.653%0.53317%0.167SC..THydrogen-bonded Turntrans-68.1-22.9169.6-63.3-55.6-6100112.7D40 N44 K53D40-Q42 PolarHBondContact O-N 3Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.47Å; D40-Q42 WeakPolarHBondContact OD1-CG 3.38Å; D40-Q42 PolarHBondContact OD1-N 3.47Å; Q42-N44 VanDerWaalsContact C-N 3.32Å; Q42-N44 PolarHBondContact O-N 3Å; Q42-K53 PolarHBondContact O-NZ 3.37Å
43G95.1Very high95.8Very high0 Ų032.1 Ų32.10%017%0.165CC..  trans64.131.2176.600000113.8D38 D40 A41 T46 S47 K53D38-G43 WeakPolarHBondContact OD2-CA 3.23Å; D40-G43 WeakPolarHBondContact O-CA 3.35Å; D40-G43 PolarHBondContact O-N 3.18Å; A41-G43 PolarHBondContact O-N 3.2Å; G43-T46 WeakPolarHBondContact O-CB 3.14Å; G43-T46 PolarHBondContact O-N 3.09Å; G43-S47 PolarHBondContact O-N 2.9Å; G43-S47 VanDerWaalsContact O-N 3.17Å; G43-S47 PolarHBondContact O-OG 3.4Å; G43-K53 VanDerWaalsContact C-CE 3.49Å; G43-K53 WeakPolarHBondContact O-CE 3.31Å; G43-K53 PolarHBondContact O-NZ 3.06Å
44N96.1Very high95.5Very high71 Ų7132.8 Ų32.838%0.3818%0.18SC..Hα-helixtrans-69.9-35.1-170.2-71.7-35000112.2T17 D38 Q42 T46 S47 G48T17-N44 HydrophobicContact CG2-CB 3.73Å; D38-N44 PolarHBondContact OD2-N 2.97Å; Q42-N44 VanDerWaalsContact C-N 3.32Å; Q42-N44 PolarHBondContact O-N 3Å; N44-T46 VanDerWaalsContact C-N 3.33Å; N44-S47 PolarHBondContact O-OG 3.21Å; N44-G48 PolarHBondContact O-N 2.88Å
45A97.4Very high95.2Very high0 Ų037.3 Ų37.30%020%0.204CC..Hα-helixtrans-65.8-40.4175.100000110.8T17 V21 D38 G48 L49 I84 D125T17-A45 HydrophobicContact CG2-CB 3.96Å; T17-A45 VanDerWaalsContact CG2-N 3.34Å; V21-A45 HydrophobicContact CG2-CB 3.94Å; D38-A45 HydrophobicContact CB-CB 4.06Å; D38-A45 PolarHBondContact OD2-N 3.23Å; D38-A45 VanDerWaalsContact OD2-N 3.14Å; A45-G48 PolarHBondContact O-N 2.89Å; A45-G48 VanDerWaalsContact O-N 3.14Å; A45-L49 PolarHBondContact O-N 3.46Å; A45-L49 VanDerWaalsContact O-N 3.07Å; A45-I84 HydrophobicContact CB-CD1 4.42Å; A45-D125 HydrophobicContact CB-CB 4.38Å
46T97.2Very high94.9Very high0 Ų038.3 Ų38.30%021%0.21CC..Hα-helixtrans-54.7-55.8176.3-57.10000111.2D38 G43 N44 G48 L49 V51 K53 P86 A87D38-T46 WeakPolarHBondContact CB-OG1 3.41Å; D38-T46 WeakPolarHBondContact OD2-CB 3.3Å; D38-T46 PolarHBondContact OD2-N 3.28Å; D38-T46 PolarHBondContact OD2-OG1 3.17Å; G43-T46 WeakPolarHBondContact O-CB 3.14Å; G43-T46 PolarHBondContact O-N 3.09Å; N44-T46 VanDerWaalsContact C-N 3.33Å; T46-G48 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 2.93Å; T46-L49 PolarHBondContact O-N 3.37Å; T46-V51 HydrophobicContact CG2-CB 3.78Å; T46-V51 HydrophobicContact CG2-CG1 3.81Å; T46-V51 WeakPolarHBondContact O-CB 3.35Å; T46-V51 PolarHBondContact O-N 3.31Å; T46-K53 HydrophobicContact CG2-CG 4.26Å; T46-P86 HydrophobicContact CG2-CB 3.54Å; T46-P86 WeakPolarHBondContact OG1-CA 3.43Å; T46-A87 PolarHBondContact OG1-N 3.4Å
47S95.4Very high94.6Very high43 Ų4347.8 Ų47.830%0.30125%0.252SS..Hα-helixtrans-66.8-34.1176.243.70000112.8G43 N44 L49 G50 K53 G226G43-S47 PolarHBondContact O-N 2.9Å; G43-S47 VanDerWaalsContact O-N 3.17Å; G43-S47 PolarHBondContact O-OG 3.4Å; N44-S47 PolarHBondContact O-OG 3.21Å; S47-L49 PolarHBondContact O-N 3.38Å; S47-G50 PolarHBondContact O-N 2.98Å; S47-K53 PolarHBondContact OG-NZ 3.48Å; S47-G226 WeakPolarHBondContact O-CA 3.22Å
48G94.3Very high94.4Very high3 Ų350.9 Ų50.93%0.03127%0.266CS..Hα-helixtrans-64.1-22179.500000114.2N44 A45 T46 G226 K227N44-G48 PolarHBondContact O-N 2.88Å; A45-G48 PolarHBondContact O-N 2.89Å; A45-G48 VanDerWaalsContact O-N 3.14Å; T46-G48 VanDerWaalsContact C-N 3.33Å; T46-G48 PolarHBondContact O-N 2.93Å; G48-G226 CarbonylContact O-C 3.53Å; G48-K227 CarbonylContact O-C 3.13Å; G48-K227 PolarHBondContact O-N 3.2Å; G48-K227 VanDerWaalsContact O-N 3.15Å
49L96Very high94.3Very high6 Ų651 Ų513%0.03127%0.266CS..THydrogen-bonded Turntrans-98.59.9173.2-65.8-179.7000113.9V21 L36 A45 T46 S47 T77 L82 I84 G226 P228V21-L49 HydrophobicContact CG1-CD2 3.78Å; V21-L49 HydrophobicContact CG1-CG 4.39Å; V21-L49 HydrophobicContact CG2-CG 4.44Å; L36-L49 HydrophobicContact CD1-CD1 4.14Å; L36-L49 HydrophobicContact CD2-CD1 4.17Å; A45-L49 PolarHBondContact O-N 3.46Å; A45-L49 VanDerWaalsContact O-N 3.07Å; T46-L49 PolarHBondContact O-N 3.37Å; S47-L49 PolarHBondContact O-N 3.38Å; L49-T77 HydrophobicContact CB-CG2 4.11Å; L49-T77 HydrophobicContact CD1-CG2 3.9Å; L49-L82 HydrophobicContact CD1-CD2 4.33Å; L49-L82 HydrophobicContact CD2-CD2 3.82Å; L49-I84 HydrophobicContact CD1-CB 4.11Å; L49-I84 HydrophobicContact CD1-CD1 3.71Å; L49-I84 HydrophobicContact CD1-CG1 4.45Å; L49-G226 CarbonylContact C-O 3.55Å; L49-P228 HydrophobicContact CD2-CG 3.69Å
50G94.8Very high94.3Very high44 Ų4451 Ų5145%0.45427%0.266SS..THydrogen-bonded Turntrans83.97.3175.100000114.7S47 R52 G226S47-G50 PolarHBondContact O-N 2.98Å; G50-R52 PolarHBondContact O-N 2.95Å; G50-G226 WeakPolarHBondContact CA-O 2.86Å; G50-G226 PolarHBondContact N-O 2.95Å; G50-G226 VanDerWaalsContact N-O 3.13Å
51V95Very high94.4Very high22 Ų2251.4 Ų51.413%0.13327%0.267CS..  trans-78.7121.7173.9-1790000109.1T46 K53 V56 I75 I84T46-V51 HydrophobicContact CG2-CB 3.78Å; T46-V51 HydrophobicContact CG2-CG1 3.81Å; T46-V51 WeakPolarHBondContact O-CB 3.35Å; T46-V51 PolarHBondContact O-N 3.31Å; V51-K53 PolarHBondContact O-N 3.02Å; V51-V56 HydrophobicContact CG1-CG2 3.76Å; V51-I75 HydrophobicContact CG1-CD1 3.93Å; V51-I75 HydrophobicContact CG2-CG2 4.12Å; V51-I84 HydrophobicContact CG2-CG2 3.92Å
52R93.1Very high94.5Very high169 Ų16951.7 Ų51.764%0.63827%0.266SS*.  trans-80.3112.5177.4-57.2-168.9-53.71777.5109.3G50 P54 D55G50-R52 PolarHBondContact O-N 2.95Å; R52-P54 VanDerWaalsContact C-N 3.3Å; R52-P54 VanDerWaalsContact O-N 3.17Å; R52-D55 WeakPolarHBondContact CB-OD2 3.16Å; R52-D55 IonicContact CZ-OD1 2.96Å; R52-D55 IonicContact CZ-OD2 3.95Å; R52-D55 IonicContact NE-OD2 3.37Å; R52-D55 PolarHBondContact NE-OD2 3.04Å; R52-D55 VanDerWaalsContact NH2-CG 3.33Å; R52-D55 IonicContact NH2-OD1 2.89Å; R52-D55 PolarHBondContact NH2-OD1 3.21Å; R52-D55 IonicContact NH2-OD2 3.17Å; R52-D55 PolarHBondContact NH2-OD2 3.23Å; R52-D55 WeakPolarHBondContact O-CB 3.47Å; R52-D55 PolarHBondContact O-N 3.27Å
53K90.6Very high94.7Very high62 Ų6246.6 Ų46.627%0.2724%0.243SC..G310 helixtrans-48.8-39.8179.9-61.4170.3-173.2166.90114.6Q42 G43 T46 S47 V51 D55 V56Q42-K53 PolarHBondContact O-NZ 3.37Å; G43-K53 VanDerWaalsContact C-CE 3.49Å; G43-K53 WeakPolarHBondContact O-CE 3.31Å; G43-K53 PolarHBondContact O-NZ 3.06Å; T46-K53 HydrophobicContact CG2-CG 4.26Å; S47-K53 PolarHBondContact OG-NZ 3.48Å; V51-K53 PolarHBondContact O-N 3.02Å; K53-D55 PolarHBondContact O-N 3.18Å; K53-V56 WeakPolarHBondContact O-CB 3.47Å; K53-V56 PolarHBondContact O-N 3.41Å; K53-V56 VanDerWaalsContact O-N 3.13Å
54P90.3Very high94.7Very high122 Ų12246.6 Ų46.679%0.79224%0.243SC*.G310 helixtrans-63.9-19.9177.5-24.436.1000115R52R52-P54 VanDerWaalsContact C-N 3.3Å; R52-P54 VanDerWaalsContact O-N 3.17Å
55D92.1Very high94.6Very high95 Ų9543.8 Ų43.851%0.50823%0.229SC..G310 helixtrans-90.2-7.8178.5-58.3-28000112.6R52 K53 K57R52-D55 WeakPolarHBondContact CB-OD2 3.16Å; R52-D55 IonicContact CZ-OD1 2.96Å; R52-D55 IonicContact CZ-OD2 3.95Å; R52-D55 IonicContact NE-OD2 3.37Å; R52-D55 PolarHBondContact NE-OD2 3.04Å; R52-D55 VanDerWaalsContact NH2-CG 3.33Å; R52-D55 IonicContact NH2-OD1 2.89Å; R52-D55 PolarHBondContact NH2-OD1 3.21Å; R52-D55 IonicContact NH2-OD2 3.17Å; R52-D55 PolarHBondContact NH2-OD2 3.23Å; R52-D55 WeakPolarHBondContact O-CB 3.47Å; R52-D55 PolarHBondContact O-N 3.27Å; K53-D55 PolarHBondContact O-N 3.18Å; D55-K57 PolarHBondContact O-N 3.42Å
56V93.1Very high94.3Very high21 Ų2147.9 Ų47.913%0.12725%0.25CS..  trans-75.8116.3-1791780000109V51 K53 Q58 D59 I75 P86 T88V51-V56 HydrophobicContact CG1-CG2 3.76Å; K53-V56 WeakPolarHBondContact O-CB 3.47Å; K53-V56 PolarHBondContact O-N 3.41Å; K53-V56 VanDerWaalsContact O-N 3.13Å; V56-Q58 VanDerWaalsContact CG1-O 3.25Å; V56-Q58 WeakPolarHBondContact CG1-O 3.35Å; V56-D59 HydrophobicContact CG1-CB 3.77Å; V56-I75 HydrophobicContact CG2-CD1 4.36Å; V56-P86 HydrophobicContact CB-CG 4.5Å; V56-P86 HydrophobicContact CG1-CB 4.03Å; V56-P86 HydrophobicContact CG1-CG 3.47Å; V56-P86 VanDerWaalsContact CG1-CG 3.47Å; V56-P86 HydrophobicContact CG2-CB 4.01Å; V56-P86 HydrophobicContact CG2-CG 4.15Å; V56-T88 HydrophobicContact CB-CG2 3.9Å; V56-T88 HydrophobicContact CG1-CG2 3.87Å
57K92.1Very high93.8Very high200 Ų20054.7 Ų54.787%0.8728%0.282SS*.SBendtrans-88.2-37.3-179.5-66.3-175.9-178.6178.80113.5D55D55-K57 PolarHBondContact O-N 3.42Å
58Q94Very high93.7Very high64 Ų6453.9 Ų53.930%0.29928%0.276SS..SBendtrans-135.8141.1176.2-69.2168.7-39.700107.9V56 D62 T73V56-Q58 VanDerWaalsContact CG1-O 3.25Å; V56-Q58 WeakPolarHBondContact CG1-O 3.35Å; Q58-D62 WeakPolarHBondContact CA-OD2 3.28Å; Q58-D62 HydrophobicContact CB-CB 4.39Å; Q58-T73 HydrophobicContact CB-CG2 3.9Å
59D96.1Very high93.8Very high2 Ų255.2 Ų55.21%0.01128%0.284CS..  trans-138.1-171.1-175.976.90.5000111.3V56 Y61 D62 V63 P86 T88V56-D59 HydrophobicContact CG1-CB 3.77Å; D59-Y61 PolarHBondContact O-N 3.14Å; D59-Y61 WeakPolarHBondContact OD1-CA 3.2Å; D59-Y61 WeakPolarHBondContact OD1-CB 3.45Å; D59-Y61 PolarHBondContact OD1-N 3.22Å; D59-D62 PolarHBondContact N-OD2 2.96Å; D59-D62 WeakPolarHBondContact O-CB 3.42Å; D59-D62 PolarHBondContact O-N 3.35Å; D59-D62 VanDerWaalsContact O-N 3.08Å; D59-D62 PolarHBondContact OD1-N 3.33Å; D59-V63 PolarHBondContact O-N 3.12Å; D59-P86 HydrophobicContact CB-CG 4.1Å; D59-P86 WeakPolarHBondContact CB-O 3.48Å; D59-T88 HydrophobicContact CB-CG2 4.22Å; D59-T88 WeakPolarHBondContact OD2-CA 3.34Å; D59-T88 WeakPolarHBondContact OD2-CB 3.49Å; D59-T88 VanDerWaalsContact OD2-CG2 3.31Å; D59-T88 WeakPolarHBondContact OD2-CG2 3.28Å; D59-T88 PolarHBondContact OD2-N 3.27Å; D59-T88 PolarHBondContact OD2-OG1 2.86Å
60I97.5Very high93.9Very high0 Ų055 Ų550%028%0.283CS..Hα-helixtrans-59.9-26.4178.3-168.958.1000113.3I37 D38 D62 V63 L64 V85 P86 A87 L91 L108I37-I60 HydrophobicContact CG2-CD1 3.66Å; I37-I60 HydrophobicContact CG2-CG1 4.03Å; D38-I60 VanDerWaalsContact O-CG2 3.24Å; D38-I60 WeakPolarHBondContact O-CG2 3.43Å; I60-D62 VanDerWaalsContact C-N 3.33Å; I60-V63 HydrophobicContact CD1-CB 4.27Å; I60-V63 PolarHBondContact O-N 3.12Å; I60-L64 HydrophobicContact CD1-CG 4.27Å; I60-L64 HydrophobicContact CG1-CD1 4Å; I60-L64 HydrophobicContact CG1-CG 4.19Å; I60-L64 WeakPolarHBondContact O-CB 3.31Å; I60-L64 VanDerWaalsContact O-CG 3.27Å; I60-L64 WeakPolarHBondContact O-CG 3.26Å; I60-L64 PolarHBondContact O-N 3.43Å; I60-V85 HydrophobicContact CB-CG1 4.02Å; I60-V85 HydrophobicContact CD1-CG1 4.05Å; I60-P86 PolarHBondContact N-O 3.1Å; I60-A87 HydrophobicContact CG2-CB 3.9Å; I60-L91 HydrophobicContact CG2-CD1 3.78Å; I60-L91 HydrophobicContact CG2-CD2 3.47Å; I60-L91 VanDerWaalsContact CG2-CD2 3.47Å; I60-L91 HydrophobicContact CG2-CG 4.14Å; I60-L108 HydrophobicContact CD1-CD1 3.95Å
61Y96.4Very high94Very high26 Ų2657.7 Ų57.710%0.10228%0.282CS..Hα-helixtrans-63.6-42.5174.7165.3-82.1000110D59 V63 L64 V65 Q90 A94 E97D59-Y61 PolarHBondContact O-N 3.14Å; D59-Y61 WeakPolarHBondContact OD1-CA 3.2Å; D59-Y61 WeakPolarHBondContact OD1-CB 3.45Å; D59-Y61 PolarHBondContact OD1-N 3.22Å; Y61-V63 VanDerWaalsContact C-N 3.31Å; Y61-V63 PolarHBondContact O-N 3.13Å; Y61-L64 PolarHBondContact O-N 3.34Å; Y61-V65 HydrophobicContact CD2-CB 4.45Å; Y61-V65 HydrophobicContact CD2-CG2 3.89Å; Y61-V65 HydrophobicContact CE1-CB 4.3Å; Y61-V65 HydrophobicContact CE2-CB 4.16Å; Y61-V65 HydrophobicContact CE2-CG1 4.33Å; Y61-V65 HydrophobicContact CE2-CG2 3.78Å; Y61-V65 HydrophobicContact CG-CG2 4.4Å; Y61-V65 WeakPolarHBondContact O-CB 3.19Å; Y61-V65 PolarHBondContact O-N 2.96Å; Y61-Q90 HydrophobicContact CD1-CB 4.45Å; Y61-Q90 WeakPolarHBondContact CD2-O 3.46Å; Y61-Q90 HydrophobicContact CG-CB 4.31Å; Y61-A94 HydrophobicContact CD2-CB 3.92Å; Y61-A94 HydrophobicContact CE2-CB 4.43Å; Y61-E97 PolarHBondContact OH-OE1 2.83Å; Y61-E97 PolarHBondContact OH-OE2 3.26Å
62D96Very high94.1Very high21 Ų2162.8 Ų62.811%0.11231%0.305CS..Hα-helixtrans-64.2-36.6178.3-65.7-69.3000112.7Q58 D59 I60 N66 E67 V68Q58-D62 WeakPolarHBondContact CA-OD2 3.28Å; Q58-D62 HydrophobicContact CB-CB 4.39Å; D59-D62 PolarHBondContact N-OD2 2.96Å; D59-D62 WeakPolarHBondContact O-CB 3.42Å; D59-D62 PolarHBondContact O-N 3.35Å; D59-D62 VanDerWaalsContact O-N 3.08Å; D59-D62 PolarHBondContact OD1-N 3.33Å; I60-D62 VanDerWaalsContact C-N 3.33Å; D62-N66 HydrophobicContact CB-CB 4.42Å; D62-N66 CarbonylContact O-C 3.41Å; D62-N66 VanDerWaalsContact O-CA 3.3Å; D62-N66 WeakPolarHBondContact O-CA 3.19Å; D62-N66 WeakPolarHBondContact O-CB 3.43Å; D62-N66 PolarHBondContact O-N 3.49Å; D62-N66 PolarHBondContact OD1-ND2 3.4Å; D62-E67 PolarHBondContact O-N 3.03Å; D62-V68 HydrophobicContact CB-CB 3.95Å; D62-V68 HydrophobicContact CB-CG2 3.82Å; D62-V68 PolarHBondContact O-N 3.38Å; D62-V68 VanDerWaalsContact O-N 3.15Å
63V95.9Very high94.3Very high7 Ų754.8 Ų54.84%0.04228%0.275CS..Hα-helixtrans-65.1-47.8174.4-179.50000110.4D59 I60 Y61 I70 T73 A111D59-V63 PolarHBondContact O-N 3.12Å; I60-V63 HydrophobicContact CD1-CB 4.27Å; I60-V63 PolarHBondContact O-N 3.12Å; Y61-V63 VanDerWaalsContact C-N 3.31Å; Y61-V63 PolarHBondContact O-N 3.13Å; V63-I70 HydrophobicContact CG1-CB 4.19Å; V63-I70 HydrophobicContact CG1-CG1 4.42Å; V63-I70 HydrophobicContact CG2-CB 4.29Å; V63-I70 HydrophobicContact CG2-CG1 4.24Å; V63-T73 HydrophobicContact CG2-CG2 3.52Å; V63-A111 HydrophobicContact CG1-CB 3.37Å
64L95.3Very high94.7Very high0 Ų053.7 Ų53.70%027%0.271CS..Hα-helixtrans-75.7-33.1-174.9-67.1178.9000113.2I60 Y61 L91 R107 L108 L133I60-L64 HydrophobicContact CD1-CG 4.27Å; I60-L64 HydrophobicContact CG1-CD1 4Å; I60-L64 HydrophobicContact CG1-CG 4.19Å; I60-L64 WeakPolarHBondContact O-CB 3.31Å; I60-L64 VanDerWaalsContact O-CG 3.27Å; I60-L64 WeakPolarHBondContact O-CG 3.26Å; I60-L64 PolarHBondContact O-N 3.43Å; Y61-L64 PolarHBondContact O-N 3.34Å; L64-L91 HydrophobicContact CD1-CD1 4.32Å; L64-R107 HydrophobicContact CD2-CB 4.24Å; L64-R107 WeakPolarHBondContact O-CD 3.49Å; L64-R107 PolarHBondContact O-NE 2.86Å; L64-R107 PolarHBondContact O-NH2 3.28Å; L64-L108 HydrophobicContact CD2-CB 3.87Å; L64-L108 HydrophobicContact CD2-CD1 4.47Å; L64-L133 HydrophobicContact CD1-CD2 3.64Å
65V93.2Very high95Very high13 Ų1350.6 Ų50.68%0.07925%0.248CC..THydrogen-bonded Turntrans-110.8-46.5-171.5-1790000111.4Y61 A94 E97 M101Y61-V65 HydrophobicContact CD2-CB 4.45Å; Y61-V65 HydrophobicContact CD2-CG2 3.89Å; Y61-V65 HydrophobicContact CE1-CB 4.3Å; Y61-V65 HydrophobicContact CE2-CB 4.16Å; Y61-V65 HydrophobicContact CE2-CG1 4.33Å; Y61-V65 HydrophobicContact CE2-CG2 3.78Å; Y61-V65 HydrophobicContact CG-CG2 4.4Å; Y61-V65 WeakPolarHBondContact O-CB 3.19Å; Y61-V65 PolarHBondContact O-N 2.96Å; V65-A94 HydrophobicContact CG2-CB 3.94Å; V65-E97 HydrophobicContact CG1-CB 4.17Å; V65-E97 VanDerWaalsContact CG1-OE2 3.24Å; V65-E97 WeakPolarHBondContact CG1-OE2 3.35Å; V65-M101 WeakPolarHBondContact O-CE 3.5Å
66N91.2Very high95.2Very high86 Ų8654.7 Ų54.746%0.4626%0.261SS..SBendtrans-91.50-172.7-64-31.7000114.4D62 V68D62-N66 HydrophobicContact CB-CB 4.42Å; D62-N66 CarbonylContact O-C 3.41Å; D62-N66 VanDerWaalsContact O-CA 3.3Å; D62-N66 WeakPolarHBondContact O-CA 3.19Å; D62-N66 WeakPolarHBondContact O-CB 3.43Å; D62-N66 PolarHBondContact O-N 3.49Å; D62-N66 PolarHBondContact OD1-ND2 3.4Å; N66-V68 HydrophobicContact CB-CG2 4.18Å; N66-V68 PolarHBondContact O-N 3.35Å
67E87.5Confident95.2Very high142 Ų14254.8 Ų54.866%0.66426%0.261SS*.  trans5928.4-178.9-60.2-177.6179.300113.2D62 R107D62-E67 PolarHBondContact O-N 3.03Å; E67-R107 IonicContact OE1-CZ 3.33Å; E67-R107 IonicContact OE1-NH1 3.97Å; E67-R107 PolarHBondContact OE1-NH1 3.35Å; E67-R107 IonicContact OE1-NH2 3.63Å; E67-R107 PolarHBondContact OE1-NH2 2.88Å
68V93.4Very high95.1Very high27 Ų2750.2 Ų50.216%0.16426%0.255CS..  trans-67.1133.5170.1172.80000108.5D62 N66 I70 E72 T73D62-V68 HydrophobicContact CB-CB 3.95Å; D62-V68 HydrophobicContact CB-CG2 3.82Å; D62-V68 PolarHBondContact O-N 3.38Å; D62-V68 VanDerWaalsContact O-N 3.15Å; N66-V68 HydrophobicContact CB-CG2 4.18Å; N66-V68 PolarHBondContact O-N 3.35Å; V68-I70 PolarHBondContact O-N 3.07Å; V68-E72 HydrophobicContact CG1-CB 4.1Å; V68-T73 HydrophobicContact CG1-CG2 3.95Å
69S96.7Very high95.1Very high31 Ų3149.2 Ų49.222%0.21725%0.248CC..  trans-56.9131.2174.8170.80000109.4K71 E72 E114S69-K71 PolarHBondContact O-N 3.18Å; S69-K71 PolarHBondContact OG-N 3.12Å; S69-E72 PolarHBondContact O-N 2.75Å; S69-E114 PolarHBondContact OG-OE2 3.21Å
70I97.7Very high95Very high0 Ų056.8 Ų56.80%028%0.283CS..Hα-helixtrans-57.2-28.2-179.5-165.6166.2000111.9I37 V63 V68 E72 T73 I74 V85 A111 L112 E114 V115I37-I70 HydrophobicContact CD1-CD1 4.45Å; V63-I70 HydrophobicContact CG1-CB 4.19Å; V63-I70 HydrophobicContact CG1-CG1 4.42Å; V63-I70 HydrophobicContact CG2-CB 4.29Å; V63-I70 HydrophobicContact CG2-CG1 4.24Å; V68-I70 PolarHBondContact O-N 3.07Å; I70-E72 PolarHBondContact O-N 2.86Å; I70-T73 PolarHBondContact O-N 3.47Å; I70-T73 PolarHBondContact O-OG1 3.33Å; I70-I74 WeakPolarHBondContact O-CG1 3.09Å; I70-I74 PolarHBondContact O-N 3.38Å; I70-V85 HydrophobicContact CD1-CG2 4.14Å; I70-V85 HydrophobicContact CG1-CG2 3.87Å; I70-A111 HydrophobicContact CB-CB 4.27Å; I70-A111 HydrophobicContact CD1-CB 4.41Å; I70-A111 VanDerWaalsContact CG2-O 3.25Å; I70-A111 WeakPolarHBondContact CG2-O 3.39Å; I70-L112 HydrophobicContact CD1-CD2 3.47Å; I70-L112 VanDerWaalsContact CD1-CD2 3.47Å; I70-L112 HydrophobicContact CD1-CG 4.31Å; I70-E114 HydrophobicContact CG2-CB 4.2Å; I70-V115 HydrophobicContact CD1-CG2 4.47Å; I70-V115 HydrophobicContact CG2-CB 4.42Å; I70-V115 HydrophobicContact CG2-CG1 3.73Å; I70-V115 HydrophobicContact CG2-CG2 3.8Å
71K97.5Very high95Very high101 Ų10159.4 Ų59.444%0.43930%0.298SS..Hα-helixtrans-58.8-33.2177.8-63.4-167.8-171-139.50113.1S69 T73 E114 V115 E118S69-K71 PolarHBondContact O-N 3.18Å; S69-K71 PolarHBondContact OG-N 3.12Å; K71-T73 VanDerWaalsContact C-N 3.27Å; K71-T73 PolarHBondContact O-N 2.87Å; K71-E114 WeakPolarHBondContact CE-O 3.34Å; K71-E114 PolarHBondContact NZ-O 3.25Å; K71-V115 HydrophobicContact CD-CG1 4.26Å; K71-V115 HydrophobicContact CG-CG1 3.53Å; K71-E118 IonicContact NZ-OE1 2.71Å; K71-E118 PolarHBondContact NZ-OE1 3.38Å
72E96.8Very high95.1Very high129 Ų12958.3 Ų58.360%0.60329%0.294SS*.Hα-helixtrans-75.3-19.5-179.7-59.4-174.7174.500112.5V68 S69 I70V68-E72 HydrophobicContact CG1-CB 4.1Å; S69-E72 PolarHBondContact O-N 2.75Å; I70-E72 PolarHBondContact O-N 2.86Å
73T97.1Very high95.2Very high2 Ų257.9 Ų57.91%0.01229%0.292CS..Hα-helixtrans-95.7-12.1-177.172.10000113.7Q58 V63 V68 I70 K71 I75 V85 P86Q58-T73 HydrophobicContact CB-CG2 3.9Å; V63-T73 HydrophobicContact CG2-CG2 3.52Å; V68-T73 HydrophobicContact CG1-CG2 3.95Å; I70-T73 PolarHBondContact O-N 3.47Å; I70-T73 PolarHBondContact O-OG1 3.33Å; K71-T73 VanDerWaalsContact C-N 3.27Å; K71-T73 PolarHBondContact O-N 2.87Å; T73-I75 PolarHBondContact O-N 3.04Å; T73-V85 WeakPolarHBondContact OG1-CG1 3.48Å; T73-P86 WeakPolarHBondContact O-CD 3.33Å
74I98Very high95.3Very high39 Ų3957.6 Ų57.620%0.229%0.29CS..  trans-72.1121.6-177.5-68.6170.2000110.7L35 I70 V85 V115 Y119L35-I74 HydrophobicContact CD1-CD1 4.33Å; L35-I74 HydrophobicContact CD1-CG1 4.08Å; L35-I74 HydrophobicContact CD1-CG2 4.24Å; L35-I74 HydrophobicContact CD2-CD1 4.26Å; I70-I74 WeakPolarHBondContact O-CG1 3.09Å; I70-I74 PolarHBondContact O-N 3.38Å; I74-V85 HydrophobicContact CG1-CG2 3.88Å; I74-V115 HydrophobicContact CD1-CG1 3.99Å; I74-Y119 HydrophobicContact CD1-CE2 4.38Å
75I97.1Very high95.5Very high57 Ų5757.6 Ų57.629%0.29229%0.29SS..EExtended strand (participates in β ladder)trans-108.7129.2175-58.1178.1000109.4V51 V56 T73 S83 I84 P86V51-I75 HydrophobicContact CG1-CD1 3.93Å; V51-I75 HydrophobicContact CG2-CG2 4.12Å; V56-I75 HydrophobicContact CG2-CD1 4.36Å; T73-I75 PolarHBondContact O-N 3.04Å; I75-S83 WeakPolarHBondContact O-CA 3.28Å; I75-I84 HydrophobicContact CB-CG2 4.22Å; I75-I84 PolarHBondContact N-O 3.42Å; I75-I84 PolarHBondContact O-N 3.48Å; I75-P86 HydrophobicContact CD1-CB 4.46Å; I75-P86 HydrophobicContact CD1-CG 3.84Å
76K95.7Very high95.7Very high180 Ų18057 Ų5778%0.78329%0.286SS*.EExtended strand (participates in β ladder)trans-73.2133.9170.6-67-171.2178.8-1750110.1
77T94.1Very high96Very high23 Ų2352.9 Ų52.914%0.14127%0.265CS..  trans-85.2-179.7176.775.40000111.1L49 R79 L82 I84L49-T77 HydrophobicContact CB-CG2 4.11Å; L49-T77 HydrophobicContact CD1-CG2 3.9Å; T77-R79 PolarHBondContact O-N 3.45Å; T77-R79 PolarHBondContact OG1-N 3.36Å; T77-R79 PolarHBondContact OG1-O 3.16Å; T77-L82 WeakPolarHBondContact CB-O 3.17Å; T77-L82 HydrophobicContact CG2-CG 4.26Å; T77-L82 WeakPolarHBondContact CG2-O 3.34Å; T77-L82 PolarHBondContact N-O 3.19Å; T77-L82 VanDerWaalsContact N-O 3.14Å; T77-L82 WeakPolarHBondContact OG1-CB 3.38Å; T77-L82 PolarHBondContact OG1-O 3.41Å; T77-I84 HydrophobicContact CG2-CB 4.4Å; T77-I84 HydrophobicContact CG2-CG2 3.97Å
78S90.5Very high96.2Very high104 Ų10446.9 Ų46.973%0.72724%0.238SC*.SBendtrans-69-12.6172.960.60000113.9
79R92.9Very high96.1Very high43 Ų4352 Ų5216%0.16226%0.263CS..SBendtrans-102133.2-178.8178.3166.9-86.5-102.4-3.9110.5A25 T77 L82 D231A25-R79 PolarHBondContact O-NH1 2.86Å; T77-R79 PolarHBondContact O-N 3.45Å; T77-R79 PolarHBondContact OG1-N 3.36Å; T77-R79 PolarHBondContact OG1-O 3.16Å; R79-L82 HydrophobicContact CB-CB 4.15Å; R79-L82 HydrophobicContact CB-CD2 4.3Å; R79-L82 HydrophobicContact CG-CB 4.2Å; R79-L82 PolarHBondContact O-N 3.15Å; R79-D231 IonicContact CZ-OD1 3.45Å; R79-D231 IonicContact CZ-OD2 3.45Å; R79-D231 IonicContact NE-OD1 2.75Å; R79-D231 PolarHBondContact NE-OD1 2.89Å; R79-D231 IonicContact NE-OD2 3.44Å; R79-D231 PolarHBondContact NE-OD2 2.79Å; R79-D231 VanDerWaalsContact NH2-CG 3.28Å; R79-D231 IonicContact NH2-OD1 3.66Å; R79-D231 PolarHBondContact NH2-OD1 2.79Å; R79-D231 IonicContact NH2-OD2 2.71Å; R79-D231 PolarHBondContact NH2-OD2 3.19Å
80E94.7Very high95.7Very high161 Ų16156.2 Ų56.275%0.75228%0.28SS*.THydrogen-bonded Turntrans-60146.4174.2-170.8175.9-176.800110.5L82E80-L82 PolarHBondContact O-N 3.09Å; E80-L82 VanDerWaalsContact O-N 3.1Å
81N97.2Very high95.5Very high56 Ų5656.2 Ų56.230%0.29928%0.28SS..THydrogen-bonded Turntrans61.68.6-177-57.6-38.6000116A28 K32 V34A28-N81 HydrophobicContact CB-CB 4.24Å; K32-N81 VanDerWaalsContact O-CB 3.28Å; K32-N81 WeakPolarHBondContact O-CB 3.33Å; V34-N81 PolarHBondContact N-O 2.75Å
82L98.2Very high95Very high3 Ų354.2 Ų54.22%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-118.6114.7177.3-168.966.9000111.4A25 A28 V34 L36 L49 T77 R79 E80A25-L82 HydrophobicContact CB-CD2 4.19Å; A28-L82 HydrophobicContact CB-CB 4.05Å; A28-L82 HydrophobicContact CB-CD1 4.38Å; V34-L82 HydrophobicContact CB-CD1 3.82Å; V34-L82 HydrophobicContact CG1-CD1 3.96Å; L36-L82 HydrophobicContact CD1-CD1 3.25Å; L36-L82 HydrophobicContact CD1-CG 4.12Å; L49-L82 HydrophobicContact CD1-CD2 4.33Å; L49-L82 HydrophobicContact CD2-CD2 3.82Å; T77-L82 WeakPolarHBondContact CB-O 3.17Å; T77-L82 HydrophobicContact CG2-CG 4.26Å; T77-L82 WeakPolarHBondContact CG2-O 3.34Å; T77-L82 PolarHBondContact N-O 3.19Å; T77-L82 VanDerWaalsContact N-O 3.14Å; T77-L82 WeakPolarHBondContact OG1-CB 3.38Å; T77-L82 PolarHBondContact OG1-O 3.41Å; R79-L82 HydrophobicContact CB-CB 4.15Å; R79-L82 HydrophobicContact CB-CD2 4.3Å; R79-L82 HydrophobicContact CG-CB 4.2Å; R79-L82 PolarHBondContact O-N 3.15Å; E80-L82 PolarHBondContact O-N 3.09Å; E80-L82 VanDerWaalsContact O-N 3.1Å
83S98.4Very high94.5Very high12 Ų1249.3 Ų49.38%0.08427%0.266CS..EExtended strand (participates in β ladder)trans-116.3161175-63.20000110.7V34 L36 I75 Y119V34-S83 PolarHBondContact O-N 2.6Å; L36-S83 PolarHBondContact N-O 3.36Å; I75-S83 WeakPolarHBondContact O-CA 3.28Å; S83-Y119 PolarHBondContact OG-OH 3.17Å
84I98.5Very high94.2Very high0 Ų049.2 Ų49.20%027%0.265CS..EExtended strand (participates in β ladder)trans-138138.2175.8-175159.5000111.9L36 D38 A45 L49 V51 I75 T77L36-I84 HydrophobicContact CB-CB 4.34Å; L36-I84 HydrophobicContact CB-CD1 4.3Å; L36-I84 HydrophobicContact CB-CG1 4.12Å; L36-I84 CarbonylContact O-C 3.32Å; L36-I84 VanDerWaalsContact O-CA 3.25Å; L36-I84 WeakPolarHBondContact O-CA 3.47Å; D38-I84 HydrophobicContact CB-CD1 4.48Å; A45-I84 HydrophobicContact CB-CD1 4.42Å; L49-I84 HydrophobicContact CD1-CB 4.11Å; L49-I84 HydrophobicContact CD1-CD1 3.71Å; L49-I84 HydrophobicContact CD1-CG1 4.45Å; V51-I84 HydrophobicContact CG2-CG2 3.92Å; I75-I84 HydrophobicContact CB-CG2 4.22Å; I75-I84 PolarHBondContact N-O 3.42Å; I75-I84 PolarHBondContact O-N 3.48Å; T77-I84 HydrophobicContact CG2-CB 4.4Å; T77-I84 HydrophobicContact CG2-CG2 3.97Å
85V98.5Very high93.6Very high0 Ų049.6 Ų49.60%027%0.266CS..EExtended strand (participates in β ladder)trans-89.8113.5155.7179.50000107.1L35 L36 I37 D38 I60 I70 T73 I74L35-V85 HydrophobicContact CD1-CG2 4.18Å; L35-V85 HydrophobicContact CD2-CG2 4.39Å; L36-V85 PolarHBondContact O-N 3.43Å; I37-V85 HydrophobicContact CG1-CB 4.27Å; I37-V85 HydrophobicContact CG1-CG2 4.3Å; I37-V85 HydrophobicContact CG2-CB 4.34Å; D38-V85 PolarHBondContact N-O 2.88Å; I60-V85 HydrophobicContact CB-CG1 4.02Å; I60-V85 HydrophobicContact CD1-CG1 4.05Å; I70-V85 HydrophobicContact CD1-CG2 4.14Å; I70-V85 HydrophobicContact CG1-CG2 3.87Å; T73-V85 WeakPolarHBondContact OG1-CG1 3.48Å; I74-V85 HydrophobicContact CG1-CG2 3.88Å
86P98.2Very high93.2Very high0 Ų053.3 Ų53.30%029%0.285CS..  trans-76.5168.3-172.533.2-36.8000112.2T46 V56 D59 I60 T73 I75T46-P86 HydrophobicContact CG2-CB 3.54Å; T46-P86 WeakPolarHBondContact OG1-CA 3.43Å; V56-P86 HydrophobicContact CB-CG 4.5Å; V56-P86 HydrophobicContact CG1-CB 4.03Å; V56-P86 HydrophobicContact CG1-CG 3.47Å; V56-P86 VanDerWaalsContact CG1-CG 3.47Å; V56-P86 HydrophobicContact CG2-CB 4.01Å; V56-P86 HydrophobicContact CG2-CG 4.15Å; D59-P86 HydrophobicContact CB-CG 4.1Å; D59-P86 WeakPolarHBondContact CB-O 3.48Å; I60-P86 PolarHBondContact N-O 3.1Å; T73-P86 WeakPolarHBondContact O-CD 3.33Å; I75-P86 HydrophobicContact CD1-CB 4.46Å; I75-P86 HydrophobicContact CD1-CG 3.84Å
87A96.6Very high92.9Very high0 Ų048.5 Ų48.50%027%0.266CS..  trans-127.9140.8165.700000111.2D38 D40 T46 I60 L91D38-A87 HydrophobicContact CB-CB 3.87Å; D38-A87 WeakPolarHBondContact O-CB 3.37Å; D40-A87 WeakPolarHBondContact O-CB 3.35Å; T46-A87 PolarHBondContact OG1-N 3.4Å; I60-A87 HydrophobicContact CG2-CB 3.9Å; A87-L91 HydrophobicContact CB-CD2 3.97Å
88T93.1Very high92.7Very high17 Ų1747.4 Ų47.410%0.10426%0.259CS..  trans-116.8174.2170750000110.8V56 D59 Q90 L91V56-T88 HydrophobicContact CB-CG2 3.9Å; V56-T88 HydrophobicContact CG1-CG2 3.87Å; D59-T88 HydrophobicContact CB-CG2 4.22Å; D59-T88 WeakPolarHBondContact OD2-CA 3.34Å; D59-T88 WeakPolarHBondContact OD2-CB 3.49Å; D59-T88 VanDerWaalsContact OD2-CG2 3.31Å; D59-T88 WeakPolarHBondContact OD2-CG2 3.28Å; D59-T88 PolarHBondContact OD2-N 3.27Å; D59-T88 PolarHBondContact OD2-OG1 2.86Å; T88-Q90 PolarHBondContact O-N 3.47Å; T88-Q90 PolarHBondContact OG1-N 2.87Å; T88-L91 WeakPolarHBondContact O-CB 3.47Å; T88-L91 PolarHBondContact O-N 3.06Å; T88-L91 VanDerWaalsContact O-N 3.11Å
89L90.7Very high92.6Very high133 Ų13346 Ų4670%0.69625%0.246SC*.G310 helixtrans-58.2-21.3178.7-172.762.5000113L91 A92L89-L91 PolarHBondContact O-N 3.06Å; L89-A92 WeakPolarHBondContact O-CB 3.48Å; L89-A92 PolarHBondContact O-N 3.44Å
90Q88Confident92.3Very high120 Ų12049 Ų4956%0.56127%0.274SS*.G310 helixtrans-59.3-30.7177.5-61.9-17333.600112.3Y61 T88 A92 G93Y61-Q90 HydrophobicContact CD1-CB 4.45Å; Y61-Q90 WeakPolarHBondContact CD2-O 3.46Å; Y61-Q90 HydrophobicContact CG-CB 4.31Å; T88-Q90 PolarHBondContact O-N 3.47Å; T88-Q90 PolarHBondContact OG1-N 2.87Å; Q90-A92 PolarHBondContact O-N 3.41Å; Q90-G93 PolarHBondContact O-N 2.85Å
91L93.1Very high92Very high0 Ų043.4 Ų43.40%025%0.248CC..G310 helixtrans-57.6-22.8177.9-171.861.5000113.6S39 A41 I60 L64 A87 T88 L89 G93 A94 L133S39-L91 WeakPolarHBondContact O-CD2 3.46Å; A41-L91 HydrophobicContact CB-CB 4Å; A41-L91 HydrophobicContact CB-CG 4.47Å; I60-L91 HydrophobicContact CG2-CD1 3.78Å; I60-L91 HydrophobicContact CG2-CD2 3.47Å; I60-L91 VanDerWaalsContact CG2-CD2 3.47Å; I60-L91 HydrophobicContact CG2-CG 4.14Å; L64-L91 HydrophobicContact CD1-CD1 4.32Å; A87-L91 HydrophobicContact CB-CD2 3.97Å; T88-L91 WeakPolarHBondContact O-CB 3.47Å; T88-L91 PolarHBondContact O-N 3.06Å; T88-L91 VanDerWaalsContact O-N 3.11Å; L89-L91 PolarHBondContact O-N 3.06Å; L91-G93 PolarHBondContact O-N 3.27Å; L91-A94 HydrophobicContact CD1-CB 3.82Å; L91-A94 VanDerWaalsContact O-CB 3.3Å; L91-A94 WeakPolarHBondContact O-CB 3.48Å; L91-A94 PolarHBondContact O-N 3.17Å; L91-L133 HydrophobicContact CD1-CD1 4.29Å; L91-L133 HydrophobicContact CD1-CD2 3.71Å; L91-L133 HydrophobicContact CD2-CD1 4.2Å; L91-L133 HydrophobicContact CG-CD1 3.91Å; L91-L133 HydrophobicContact CG-CD2 4.26Å
92A88Confident91.4Very high60 Ų6049 Ų4950%0.49628%0.275SS..G310 helixtrans-60.1-27.4173.700000112.9A41 L89 Q90A41-A92 HydrophobicContact CB-CB 3.93Å; L89-A92 WeakPolarHBondContact O-CB 3.48Å; L89-A92 PolarHBondContact O-N 3.44Å; Q90-A92 PolarHBondContact O-N 3.41Å
93G86.9Confident91Very high25 Ų2551.9 Ų51.926%0.25830%0.299SS..G310 helixtrans-76.2-22.7175.200000114.1Q90 L91 E95 I96 E97Q90-G93 PolarHBondContact O-N 2.85Å; L91-G93 PolarHBondContact O-N 3.27Å; G93-E95 VanDerWaalsContact C-N 3.29Å; G93-E95 PolarHBondContact O-N 3.23Å; G93-I96 PolarHBondContact O-N 2.88Å; G93-I96 VanDerWaalsContact O-N 3.09Å; G93-E97 PolarHBondContact O-N 3.49Å
94A90.1Very high90.7Very high0 Ų055 Ų550%031%0.309CS..Hα-helixtrans-59.8-36.7-174.700000112.9Y61 V65 L91 I96 E97 L98 L133Y61-A94 HydrophobicContact CD2-CB 3.92Å; Y61-A94 HydrophobicContact CE2-CB 4.43Å; V65-A94 HydrophobicContact CG2-CB 3.94Å; L91-A94 HydrophobicContact CD1-CB 3.82Å; L91-A94 VanDerWaalsContact O-CB 3.3Å; L91-A94 WeakPolarHBondContact O-CB 3.48Å; L91-A94 PolarHBondContact O-N 3.17Å; A94-I96 VanDerWaalsContact C-N 3.25Å; A94-I96 PolarHBondContact O-N 2.99Å; A94-E97 PolarHBondContact O-N 3.43Å; A94-L98 HydrophobicContact CB-CD1 4.25Å; A94-L98 WeakPolarHBondContact O-CB 3.36Å; A94-L98 WeakPolarHBondContact O-CD1 3.44Å; A94-L98 WeakPolarHBondContact O-CG 3.41Å; A94-L98 PolarHBondContact O-N 3.3Å; A94-L133 HydrophobicContact CB-CD2 4.09Å
95E86Confident90.6Very high48 Ų4856.4 Ų56.422%0.22432%0.315CS..Hα-helixtrans-57.5-39.3178.7-73.3-73.6173.500112.1G93 T99 H132 L133G93-E95 VanDerWaalsContact C-N 3.29Å; G93-E95 PolarHBondContact O-N 3.23Å; E95-T99 PolarHBondContact O-OG1 3.37Å; E95-H132 VanDerWaalsContact CD-N 3.34Å; E95-H132 PolarHBondContact O-CD2 3.03Å; E95-H132 PolarHBondContact OE1-N 3.02Å; E95-H132 VanDerWaalsContact OE1-N 3.1Å; E95-H132 VanDerWaalsContact OE2-CB 3.26Å; E95-H132 WeakPolarHBondContact OE2-CB 3.46Å; E95-H132 IonicContact OE2-CD2 3.1Å; E95-H132 PolarHBondContact OE2-CD2 3.39Å; E95-H132 IonicContact OE2-CG 2.68Å; E95-H132 PolarHBondContact OE2-N 3.08Å; E95-L133 HydrophobicContact CG-CD1 4.3Å; E95-L133 HydrophobicContact CG-CG 4.25Å; E95-L133 WeakPolarHBondContact OE1-CG 3.46Å; E95-L133 PolarHBondContact OE1-N 3.07Å
96I87.9Confident90.4Very high134 Ų13458.1 Ų58.169%0.68733%0.327SS*.Hα-helixtrans-74.4-45.6179.2-60.4174.4000110.1G93 A94 T99G93-I96 PolarHBondContact O-N 2.88Å; G93-I96 VanDerWaalsContact O-N 3.09Å; A94-I96 VanDerWaalsContact C-N 3.25Å; A94-I96 PolarHBondContact O-N 2.99Å; I96-T99 VanDerWaalsContact O-CB 3.31Å; I96-T99 WeakPolarHBondContact O-CB 3.49Å; I96-T99 PolarHBondContact O-N 3.31Å
97E89.7Confident90.3Very high79 Ų7959.8 Ų59.837%0.36933%0.333SS..Hα-helixtrans-68.5-44.5-175.5-68.1-177.4-124.400111.9Y61 V65 G93 A94 T99 S100 M101Y61-E97 PolarHBondContact OH-OE1 2.83Å; Y61-E97 PolarHBondContact OH-OE2 3.26Å; V65-E97 HydrophobicContact CG1-CB 4.17Å; V65-E97 VanDerWaalsContact CG1-OE2 3.24Å; V65-E97 WeakPolarHBondContact CG1-OE2 3.35Å; G93-E97 PolarHBondContact O-N 3.49Å; A94-E97 PolarHBondContact O-N 3.43Å; E97-T99 PolarHBondContact O-N 2.54Å; E97-T99 VanDerWaalsContact O-N 3.14Å; E97-S100 PolarHBondContact O-N 2.83Å; E97-S100 VanDerWaalsContact O-N 3.07Å; E97-S100 PolarHBondContact O-OG 3.43Å; E97-M101 WeakPolarHBondContact O-CG 2.94Å
98L90.6Very high90.3Very high0 Ų059.8 Ų59.80%033%0.333CS..Hα-helixtrans-56.1-32.2177.2-73.7170.9000112.1A94 S100 M101 R104 H132 L133A94-L98 HydrophobicContact CB-CD1 4.25Å; A94-L98 WeakPolarHBondContact O-CB 3.36Å; A94-L98 WeakPolarHBondContact O-CD1 3.44Å; A94-L98 WeakPolarHBondContact O-CG 3.41Å; A94-L98 PolarHBondContact O-N 3.3Å; L98-S100 PolarHBondContact O-N 3.27Å; L98-S100 VanDerWaalsContact O-N 3.11Å; L98-M101 HydrophobicContact CD2-SD 3.93Å; L98-M101 PolarHBondContact O-N 3.18Å; L98-R104 HydrophobicContact CB-CB 4.32Å; L98-R104 HydrophobicContact CD2-CB 4.33Å; L98-R104 WeakPolarHBondContact O-CB 3.5Å; L98-R104 WeakPolarHBondContact O-CD 3.32Å; L98-H132 HydrophobicContact CB-CB 4.23Å; L98-H132 HydrophobicContact CD1-CB 3.84Å; L98-L133 HydrophobicContact CD1-CD2 4.34Å
99T87.9Confident90.5Very high76 Ų7663.4 Ų63.447%0.46635%0.348SS..Hα-helixtrans-53-36.4178.5-61.70000112.1E95 I96 E97 R104E95-T99 PolarHBondContact O-OG1 3.37Å; I96-T99 VanDerWaalsContact O-CB 3.31Å; I96-T99 WeakPolarHBondContact O-CB 3.49Å; I96-T99 PolarHBondContact O-N 3.31Å; E97-T99 PolarHBondContact O-N 2.54Å; E97-T99 VanDerWaalsContact O-N 3.14Å; T99-R104 PolarHBondContact O-NH1 3.19Å
100S85.6Confident90.8Very high106 Ų10660.9 Ų60.974%0.74134%0.341SS*.THydrogen-bonded Turntrans-89.1-9.2-176.969.70000114.6E97 L98E97-S100 PolarHBondContact O-N 2.83Å; E97-S100 VanDerWaalsContact O-N 3.07Å; E97-S100 PolarHBondContact O-OG 3.43Å; L98-S100 PolarHBondContact O-N 3.27Å; L98-S100 VanDerWaalsContact O-N 3.11Å
101M88.5Confident91.2Very high43 Ų4355.6 Ų55.621%0.21232%0.318CS..SBendtrans-88.4147.5-172.2-59.3-179.69400112.5V65 E97 L98 R104 R107V65-M101 WeakPolarHBondContact O-CE 3.5Å; E97-M101 WeakPolarHBondContact O-CG 2.94Å; L98-M101 HydrophobicContact CD2-SD 3.93Å; L98-M101 PolarHBondContact O-N 3.18Å; M101-R104 HydrophobicContact CB-CB 4.22Å; M101-R107 VanDerWaalsContact CE-NH2 3.29Å
102M85.2Confident91.4Very high174 Ų17455.7 Ų55.786%0.85732%0.318SS*.THydrogen-bonded Turntrans-74.8145.1170-70.8-17468.500111R104M102-R104 PolarHBondContact O-N 3.37Å; M102-R104 VanDerWaalsContact O-N 3.1Å
103A89Confident91.8Very high63 Ų6356 Ų5652%0.52132%0.321SS..THydrogen-bonded Turntrans51.132.6-179.100000113.2E105 S106 R107A103-E105 PolarHBondContact O-N 3.47Å; A103-E105 VanDerWaalsContact O-N 3.12Å; A103-S106 PolarHBondContact O-N 3.14Å; A103-S106 PolarHBondContact O-OG 3.06Å; A103-R107 WeakPolarHBondContact O-CG 3.47Å
104R93.3Very high92.3Very high78 Ų7858.5 Ų58.529%0.29433%0.326SS..G310 helixtrans-57.6-27.6-174.964.5-172.5175.2-143.1-5.4113L98 T99 M101 M102 H132 N136L98-R104 HydrophobicContact CB-CB 4.32Å; L98-R104 HydrophobicContact CD2-CB 4.33Å; L98-R104 WeakPolarHBondContact O-CB 3.5Å; L98-R104 WeakPolarHBondContact O-CD 3.32Å; T99-R104 PolarHBondContact O-NH1 3.19Å; M101-R104 HydrophobicContact CB-CB 4.22Å; M102-R104 PolarHBondContact O-N 3.37Å; M102-R104 VanDerWaalsContact O-N 3.1Å; R104-H132 PolarHBondContact NE-CE1 3.47Å; R104-N136 VanDerWaalsContact O-CG 3.31Å; R104-N136 PolarHBondContact O-ND2 2.97Å; R104-N136 PolarHBondContact O-OD1 2.96Å; R104-N136 VanDerWaalsContact O-OD1 3.13Å
105E94.8Very high92.6Very high29 Ų2958.5 Ų58.514%0.13633%0.326CS..G310 helixtrans-76.6-20.3179.6-61.783.3-17600113.5A103 I135 N136 T139 F172A103-E105 PolarHBondContact O-N 3.47Å; A103-E105 VanDerWaalsContact O-N 3.12Å; E105-I135 HydrophobicContact CB-CG2 3.81Å; E105-I135 HydrophobicContact CG-CG2 3.64Å; E105-N136 WeakPolarHBondContact O-CA 3.26Å; E105-N136 PolarHBondContact O-OD1 3.22Å; E105-T139 WeakPolarHBondContact O-CB 3.19Å; E105-T139 WeakPolarHBondContact O-CG2 3.33Å; E105-T139 PolarHBondContact O-OG1 3.49Å; E105-F172 HydrophobicContact CB-CD1 3.97Å; E105-F172 HydrophobicContact CB-CD2 4.47Å; E105-F172 HydrophobicContact CB-CE1 3.83Å; E105-F172 HydrophobicContact CB-CE2 4.35Å; E105-F172 HydrophobicContact CB-CG 4.3Å; E105-F172 HydrophobicContact CB-CZ 4.04Å; E105-F172 HydrophobicContact CG-CD1 4.43Å; E105-F172 HydrophobicContact CG-CE1 3.82Å; E105-F172 HydrophobicContact CG-CE2 3.96Å; E105-F172 HydrophobicContact CG-CZ 3.57Å
106S95.4Very high93.1Very high35 Ų3556.9 Ų56.925%0.24532%0.32CS..G310 helixtrans-11111.1-174.864.40000114.1A103 K109 S110A103-S106 PolarHBondContact O-N 3.14Å; A103-S106 PolarHBondContact O-OG 3.06Å; S106-K109 WeakPolarHBondContact O-CB 3.5Å; S106-K109 PolarHBondContact O-N 2.91Å; S106-S110 PolarHBondContact O-N 3.25Å; S106-S110 PolarHBondContact O-OG 2.84Å
107R95.7Very high93.5Very high35 Ų3556.1 Ų56.113%0.13232%0.317CS..Hα-helixtrans-66.8-43.2-174.1-63.2-171.862.7102.6-9.6112L64 E67 M101 A103 K109 S110 A111 N136L64-R107 HydrophobicContact CD2-CB 4.24Å; L64-R107 WeakPolarHBondContact O-CD 3.49Å; L64-R107 PolarHBondContact O-NE 2.86Å; L64-R107 PolarHBondContact O-NH2 3.28Å; E67-R107 IonicContact OE1-CZ 3.33Å; E67-R107 IonicContact OE1-NH1 3.97Å; E67-R107 PolarHBondContact OE1-NH1 3.35Å; E67-R107 IonicContact OE1-NH2 3.63Å; E67-R107 PolarHBondContact OE1-NH2 2.88Å; M101-R107 VanDerWaalsContact CE-NH2 3.29Å; A103-R107 WeakPolarHBondContact O-CG 3.47Å; R107-K109 VanDerWaalsContact C-N 3.31Å; R107-K109 PolarHBondContact O-N 3.34Å; R107-S110 PolarHBondContact O-N 3.05Å; R107-A111 PolarHBondContact O-N 3.5Å; R107-N136 PolarHBondContact N-OD1 3.29Å; R107-N136 VanDerWaalsContact N-OD1 3.11Å
108L97.5Very high93.8Very high0 Ų056.5 Ų56.50%032%0.319CS..Hα-helixtrans-62.7-38.9173.4-173.355.2000112.1I37 I60 L64 S110 A111 L112 V124 N136 A140I37-L108 HydrophobicContact CD1-CD1 4.25Å; I60-L108 HydrophobicContact CD1-CD1 3.95Å; L64-L108 HydrophobicContact CD2-CB 3.87Å; L64-L108 HydrophobicContact CD2-CD1 4.47Å; L108-S110 VanDerWaalsContact C-N 3.35Å; L108-S110 PolarHBondContact O-N 2.93Å; L108-A111 PolarHBondContact O-N 3.45Å; L108-L112 HydrophobicContact CD1-CD1 4.06Å; L108-L112 HydrophobicContact CD1-CD2 4.49Å; L108-L112 HydrophobicContact CD1-CG 4Å; L108-L112 HydrophobicContact CD2-CD1 4.43Å; L108-L112 HydrophobicContact CG-CD1 3.84Å; L108-L112 HydrophobicContact CG-CG 4.22Å; L108-L112 WeakPolarHBondContact O-CB 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 2.82Å; L108-V124 HydrophobicContact CD2-CG1 4.42Å; L108-N136 HydrophobicContact CB-CB 4.01Å; L108-N136 PolarHBondContact N-OD1 3.26Å; L108-N136 VanDerWaalsContact N-OD1 3.14Å; L108-A140 HydrophobicContact CB-CB 4.15Å; L108-A140 HydrophobicContact CD2-CB 4.27Å; L108-A140 HydrophobicContact CG-CB 3.99Å
109K97.4Very high94.2Very high94 Ų9457.8 Ų57.841%0.40932%0.324SS..Hα-helixtrans-60.9-45.2178-174.1178.6-169.7155.10111.3S106 R107 L112 A113 T139 A140S106-K109 WeakPolarHBondContact O-CB 3.5Å; S106-K109 PolarHBondContact O-N 2.91Å; R107-K109 VanDerWaalsContact C-N 3.31Å; R107-K109 PolarHBondContact O-N 3.34Å; K109-L112 PolarHBondContact O-N 3.42Å; K109-A113 PolarHBondContact O-N 3.09Å; K109-T139 HydrophobicContact CD-CG2 4.19Å; K109-T139 WeakPolarHBondContact CD-O 3.25Å; K109-A140 HydrophobicContact CB-CB 3.87Å
110S95.9Very high94.6Very high79 Ų7957.4 Ų57.455%0.55232%0.319SS*.Hα-helixtrans-62.5-43.9176.3-61.90000111.9S106 R107 L108 A113S106-S110 PolarHBondContact O-N 3.25Å; S106-S110 PolarHBondContact O-OG 2.84Å; R107-S110 PolarHBondContact O-N 3.05Å; L108-S110 VanDerWaalsContact C-N 3.35Å; L108-S110 PolarHBondContact O-N 2.93Å; S110-A113 WeakPolarHBondContact O-CB 3.2Å; S110-A113 PolarHBondContact O-N 2.78Å
111A97.1Very high95.2Very high9 Ų952.7 Ų52.77%0.07429%0.285CS..Hα-helixtrans-64-43.2178.400000112.2V63 I70 R107 L108 A113 E114V63-A111 HydrophobicContact CG1-CB 3.37Å; I70-A111 HydrophobicContact CB-CB 4.27Å; I70-A111 HydrophobicContact CD1-CB 4.41Å; I70-A111 VanDerWaalsContact CG2-O 3.25Å; I70-A111 WeakPolarHBondContact CG2-O 3.39Å; R107-A111 PolarHBondContact O-N 3.5Å; L108-A111 PolarHBondContact O-N 3.45Å; A111-A113 PolarHBondContact O-N 3.1Å; A111-E114 WeakPolarHBondContact O-CB 3.45Å; A111-E114 PolarHBondContact O-N 2.98Å; A111-E114 VanDerWaalsContact O-N 3.15Å
112L97.8Very high95.7Very high2 Ų250.6 Ų50.61%0.0128%0.275CS..Hα-helixtrans-68-22.1-178.7-69.6175.2000113.9I4 I37 I70 L108 K109 E114 V115 S116 I122 A140I4-L112 HydrophobicContact CD1-CD1 4.17Å; I4-L112 HydrophobicContact CG2-CD1 4.33Å; I37-L112 HydrophobicContact CD1-CD1 4.01Å; I37-L112 HydrophobicContact CD1-CD2 3.37Å; I37-L112 HydrophobicContact CD1-CG 4.21Å; I70-L112 HydrophobicContact CD1-CD2 3.47Å; I70-L112 VanDerWaalsContact CD1-CD2 3.47Å; I70-L112 HydrophobicContact CD1-CG 4.31Å; L108-L112 HydrophobicContact CD1-CD1 4.06Å; L108-L112 HydrophobicContact CD1-CD2 4.49Å; L108-L112 HydrophobicContact CD1-CG 4Å; L108-L112 HydrophobicContact CD2-CD1 4.43Å; L108-L112 HydrophobicContact CG-CD1 3.84Å; L108-L112 HydrophobicContact CG-CG 4.22Å; L108-L112 WeakPolarHBondContact O-CB 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 2.82Å; K109-L112 PolarHBondContact O-N 3.42Å; L112-E114 PolarHBondContact O-N 3.09Å; L112-E114 VanDerWaalsContact O-N 3.13Å; L112-V115 HydrophobicContact CD2-CG2 4.18Å; L112-V115 PolarHBondContact O-N 3.26Å; L112-V115 VanDerWaalsContact O-N 3.11Å; L112-S116 WeakPolarHBondContact O-CB 3.38Å; L112-S116 PolarHBondContact O-N 2.96Å; L112-I122 HydrophobicContact CD1-CG2 4.48Å; L112-I122 HydrophobicContact CD2-CD1 3.91Å; L112-I122 HydrophobicContact CD2-CG2 4.26Å; L112-A140 HydrophobicContact CD1-CB 4.02Å
113A96.2Very high96.3Very high66 Ų6642.3 Ų42.355%0.54523%0.234SC..THydrogen-bonded Turntrans-59.4-22.2173.400000112.9K109 S110 A111K109-A113 PolarHBondContact O-N 3.09Å; S110-A113 WeakPolarHBondContact O-CB 3.2Å; S110-A113 PolarHBondContact O-N 2.78Å; A111-A113 PolarHBondContact O-N 3.1Å
114E96.3Very high96.8Very high78 Ų7839.3 Ų39.336%0.36421%0.21SC..THydrogen-bonded Turntrans-75-22.8177.7-63.6-179.2-119.200114.1S69 I70 K71 A111 L112S69-E114 PolarHBondContact OG-OE2 3.21Å; I70-E114 HydrophobicContact CG2-CB 4.2Å; K71-E114 WeakPolarHBondContact CE-O 3.34Å; K71-E114 PolarHBondContact NZ-O 3.25Å; A111-E114 WeakPolarHBondContact O-CB 3.45Å; A111-E114 PolarHBondContact O-N 2.98Å; A111-E114 VanDerWaalsContact O-N 3.15Å; L112-E114 PolarHBondContact O-N 3.09Å; L112-E114 VanDerWaalsContact O-N 3.13Å
115V97.3Very high97Very high0 Ų035.6 Ų35.60%020%0.195CC..THydrogen-bonded Turntrans-131.2-8.1-168.8-65.50000114.3L35 I70 K71 I74 L112 D117 E118 Y119L35-V115 HydrophobicContact CD2-CG2 4.25Å; I70-V115 HydrophobicContact CD1-CG2 4.47Å; I70-V115 HydrophobicContact CG2-CB 4.42Å; I70-V115 HydrophobicContact CG2-CG1 3.73Å; I70-V115 HydrophobicContact CG2-CG2 3.8Å; K71-V115 HydrophobicContact CD-CG1 4.26Å; K71-V115 HydrophobicContact CG-CG1 3.53Å; I74-V115 HydrophobicContact CD1-CG1 3.99Å; L112-V115 HydrophobicContact CD2-CG2 4.18Å; L112-V115 PolarHBondContact O-N 3.26Å; L112-V115 VanDerWaalsContact O-N 3.11Å; V115-D117 PolarHBondContact O-N 3.3Å; V115-D117 VanDerWaalsContact O-N 3.07Å; V115-E118 WeakPolarHBondContact O-CB 3.46Å; V115-E118 PolarHBondContact O-N 3Å; V115-Y119 HydrophobicContact CB-CE2 4.39Å; V115-Y119 WeakPolarHBondContact O-CD2 3.39Å
116S95.2Very high97.1Very high14 Ų1434.2 Ų34.210%0.09819%0.189CC..THydrogen-bonded Turntrans-57.2-26.6-17566.60000114.1M1 A2 L112M1-S116 CarbonylContact C-O 3.33Å; A2-S116 VanDerWaalsContact CB-O 3.27Å; A2-S116 WeakPolarHBondContact CB-O 3.42Å; A2-S116 PolarHBondContact N-O 3.39Å; L112-S116 WeakPolarHBondContact O-CB 3.38Å; L112-S116 PolarHBondContact O-N 2.96Å
117D96.4Very high97.1Very high119 Ų11933 Ų3364%0.63618%0.18SC*.THydrogen-bonded Turntrans-86.5-7.8-179.838.8-41.8000113.3V115V115-D117 PolarHBondContact O-N 3.3Å; V115-D117 VanDerWaalsContact O-N 3.07Å
118E96.8Very high96.8Very high87 Ų8734.2 Ų34.241%0.40719%0.192SC..THydrogen-bonded Turntrans-92.3-14.9177.8-58.4-175.4-150.200113.7K33 K71 V115K33-E118 VanDerWaalsContact CD-O 3.31Å; K33-E118 WeakPolarHBondContact CD-O 3.33Å; K71-E118 IonicContact NZ-OE1 2.71Å; K71-E118 PolarHBondContact NZ-OE1 3.38Å; V115-E118 WeakPolarHBondContact O-CB 3.46Å; V115-E118 PolarHBondContact O-N 3Å
119Y98.1Very high96.4Very high26 Ų2636.4 Ų36.410%0.10221%0.208CC..  trans-122.6155.5-175.1-64.7-85.3000111.8A2 K33 L35 I74 S83 V115A2-Y119 WeakPolarHBondContact CA-O 3.33Å; A2-Y119 VanDerWaalsContact CB-O 3.28Å; A2-Y119 WeakPolarHBondContact CB-O 3.3Å; A2-Y119 PolarHBondContact N-O 3.47Å; K33-Y119 HydrophobicContact CB-CD1 4.09Å; L35-Y119 HydrophobicContact CB-CD1 3.75Å; L35-Y119 HydrophobicContact CB-CD2 4.01Å; L35-Y119 HydrophobicContact CB-CE1 3.77Å; L35-Y119 HydrophobicContact CB-CE2 4.05Å; L35-Y119 HydrophobicContact CB-CG 3.88Å; L35-Y119 HydrophobicContact CD1-CE1 4.45Å; L35-Y119 HydrophobicContact CD1-CE2 4.48Å; L35-Y119 HydrophobicContact CD2-CD2 4.26Å; L35-Y119 HydrophobicContact CD2-CE2 3.99Å; L35-Y119 HydrophobicContact CG-CE2 4.41Å; I74-Y119 HydrophobicContact CD1-CE2 4.38Å; S83-Y119 PolarHBondContact OG-OH 3.17Å; V115-Y119 HydrophobicContact CB-CE2 4.39Å; V115-Y119 WeakPolarHBondContact O-CD2 3.39Å
120D97.2Very high95.6Very high68 Ų6834.1 Ų34.136%0.36420%0.2SC..SBendtrans-86.6-35.4169.4-60-55.2000110.4A2 R3 K32 K33A2-D120 VanDerWaalsContact CA-O 3.31Å; A2-D120 WeakPolarHBondContact CA-O 3.33Å; R3-D120 PolarHBondContact N-O 2.89Å; K32-D120 WeakPolarHBondContact CA-OD2 3.49Å; K32-D120 HydrophobicContact CB-CB 4.19Å; K32-D120 HydrophobicContact CD-CB 4.11Å; K33-D120 PolarHBondContact N-OD2 2.93Å; K33-D120 PolarHBondContact O-N 3.4Å
121F98Very high95.3Very high7 Ų731.4 Ų31.43%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-134.6141.8-179.6-71.5-97.7000111.8R3 I5 L27 K32 K33 V34 L35 V249 L250 L253R3-F121 HydrophobicContact CB-CD1 4.33Å; R3-F121 HydrophobicContact CB-CE1 4.47Å; R3-F121 WeakPolarHBondContact O-CA 3.39Å; I5-F121 HydrophobicContact CD1-CD1 4.28Å; I5-F121 HydrophobicContact CD1-CE1 4.35Å; L27-F121 HydrophobicContact CD1-CD1 3.95Å; L27-F121 HydrophobicContact CD1-CD2 4.4Å; L27-F121 HydrophobicContact CD1-CE1 4.15Å; L27-F121 HydrophobicContact CD1-CG 4.05Å; L27-F121 HydrophobicContact CD2-CE2 4.36Å; L27-F121 HydrophobicContact CD2-CZ 4.2Å; K32-F121 HydrophobicContact CB-CD2 3.96Å; K32-F121 HydrophobicContact CB-CE2 4.16Å; K32-F121 HydrophobicContact CD-CE2 4.02Å; K32-F121 HydrophobicContact CG-CD2 4.15Å; K32-F121 HydrophobicContact CG-CE2 3.81Å; K33-F121 PolarHBondContact O-N 2.97Å; V34-F121 WeakPolarHBondContact CA-O 3.27Å; V34-F121 HydrophobicContact CG1-CB 4.3Å; V34-F121 HydrophobicContact CG2-CB 4.28Å; L35-F121 PolarHBondContact N-O 2.88Å; F121-V249 HydrophobicContact CE1-CG1 4.21Å; F121-L250 HydrophobicContact CE2-CD2 4.03Å; F121-L250 HydrophobicContact CZ-CD2 3.89Å; F121-L253 HydrophobicContact CD1-CD1 4.41Å; F121-L253 HydrophobicContact CE1-CD1 3.17Å; F121-L253 HydrophobicContact CE2-CD1 4.48Å; F121-L253 HydrophobicContact CZ-CD1 3.21Å
122I98.6Very high95.1Very high0 Ų032.4 Ų32.40%019%0.187CC..EExtended strand (participates in β ladder)trans-122.7118.4165.2-55.2-175.4000107.9A2 R3 I4 I5 L35 I37 L112 V124A2-I122 HydrophobicContact CB-CD1 4.06Å; A2-I122 HydrophobicContact CB-CG1 3.73Å; R3-I122 PolarHBondContact O-N 3.09Å; I4-I122 CarbonylContact C-O 3.5Å; I4-I122 WeakPolarHBondContact CA-O 3.35Å; I4-I122 HydrophobicContact CB-CB 4.44Å; I4-I122 HydrophobicContact CD1-CD1 4.49Å; I4-I122 HydrophobicContact CG1-CB 4.11Å; I4-I122 HydrophobicContact CG1-CD1 4.27Å; I4-I122 HydrophobicContact CG1-CG1 4.42Å; I4-I122 HydrophobicContact CG2-CB 4.19Å; I4-I122 HydrophobicContact CG2-CG2 4.3Å; I5-I122 PolarHBondContact N-O 3.28Å; L35-I122 HydrophobicContact CB-CG1 4.2Å; L35-I122 HydrophobicContact CB-CG2 4.46Å; L35-I122 HydrophobicContact CD2-CD1 4.39Å; L35-I122 CarbonylContact O-C 3.53Å; L35-I122 VanDerWaalsContact O-CA 3.27Å; L35-I122 WeakPolarHBondContact O-CA 3.14Å; I37-I122 HydrophobicContact CD1-CG2 3.61Å; I37-I122 HydrophobicContact CG1-CG2 4.03Å; L112-I122 HydrophobicContact CD1-CG2 4.48Å; L112-I122 HydrophobicContact CD2-CD1 3.91Å; L112-I122 HydrophobicContact CD2-CG2 4.26Å; I122-V124 HydrophobicContact CG2-CG2 4.49Å
123L98.7Very high95Very high0 Ų032.6 Ų32.60%019%0.188CC..EExtended strand (participates in β ladder)trans-105.9123.8178-56.4-176.9000109.8I5 T20 L23 L27 V34 L35 L36 I37I5-L123 HydrophobicContact CB-CD2 3.91Å; I5-L123 HydrophobicContact CD1-CD2 4.36Å; I5-L123 HydrophobicContact CG1-CD2 4.47Å; I5-L123 WeakPolarHBondContact O-CA 3.43Å; T20-L123 HydrophobicContact CG2-CB 3.78Å; L23-L123 HydrophobicContact CB-CD1 4.36Å; L23-L123 HydrophobicContact CD2-CD1 4.35Å; L23-L123 HydrophobicContact CG-CD1 4.17Å; L27-L123 HydrophobicContact CD1-CD1 4.4Å; V34-L123 HydrophobicContact CG1-CD1 4.3Å; V34-L123 HydrophobicContact CG1-CG 4.25Å; L35-L123 PolarHBondContact O-N 2.94Å; L36-L123 CarbonylContact C-O 3.46Å; L36-L123 WeakPolarHBondContact CA-O 3.46Å; L36-L123 HydrophobicContact CG-CB 4.44Å; I37-L123 PolarHBondContact N-O 3Å
124V98.7Very high94.9Very high0 Ų029.6 Ų29.60%016%0.163CC..EExtended strand (participates in β ladder)trans-105.3116.6179.9-169.80000109.9I4 I5 V7 I37 L108 I122 C126 A137I4-V124 HydrophobicContact CG2-CG2 4.31Å; I5-V124 PolarHBondContact O-N 3.16Å; V7-V124 PolarHBondContact N-O 3.06Å; I37-V124 HydrophobicContact CB-CG1 4.33Å; I37-V124 HydrophobicContact CB-CG2 4.36Å; I37-V124 HydrophobicContact CD1-CG2 4.3Å; I37-V124 HydrophobicContact CG2-CG1 4.43Å; L108-V124 HydrophobicContact CD2-CG1 4.42Å; I122-V124 HydrophobicContact CG2-CG2 4.49Å; V124-C126 PolarHBondContact O-N 3.13Å; V124-A137 HydrophobicContact CB-CB 4.47Å; V124-A137 HydrophobicContact CG1-CB 3.76Å
125D98.3Very high94.9Very high0 Ų027.5 Ų27.50%015%0.154CC..EExtended strand (participates in β ladder)trans-81.8104.9174-163.830.9000109.7T17 T20 I37 S39 A45T17-D125 VanDerWaalsContact CA-OD1 3.27Å; T17-D125 WeakPolarHBondContact CA-OD1 3.42Å; T17-D125 VanDerWaalsContact CA-OD2 3.26Å; T17-D125 WeakPolarHBondContact CA-OD2 3.38Å; T17-D125 WeakPolarHBondContact CB-OD2 3.29Å; T17-D125 WeakPolarHBondContact CG2-OD2 3.47Å; T17-D125 PolarHBondContact N-OD1 2.86Å; T17-D125 VanDerWaalsContact N-OD1 3.11Å; T17-D125 PolarHBondContact OG1-OD2 2.89Å; T20-D125 HydrophobicContact CG2-CB 3.96Å; T20-D125 PolarHBondContact OG1-OD1 3.34Å; I37-D125 PolarHBondContact O-N 2.81Å; S39-D125 WeakPolarHBondContact CA-O 3.32Å; S39-D125 VanDerWaalsContact CB-O 3.31Å; S39-D125 WeakPolarHBondContact CB-O 3.32Å; S39-D125 PolarHBondContact N-O 2.87Å; A45-D125 HydrophobicContact CB-CB 4.38Å
126C97.1Very high94.9Very high0 Ų027.5 Ų27.50%015%0.154CC..  trans-84.3147.8-176.6-64.90000112.4V7 A8 K16 V124 A137V7-C126 WeakPolarHBondContact O-CB 3.4Å; V7-C126 PolarHBondContact O-N 2.92Å; A8-C126 HydrophobicContact CB-CB 3.91Å; K16-C126 WeakPolarHBondContact CE-O 3.44Å; V124-C126 PolarHBondContact O-N 3.13Å; C126-A137 WeakPolarHBondContact SG-CB 3.43Å
127P94.9Very high95Very high9 Ų926.8 Ų26.86%0.05815%0.149CC..  trans-67.1163.7174.328.4-33000112S39 D40 S129 L133S39-P127 WeakPolarHBondContact O-CD 3.49Å; D40-P127 HydrophobicContact CB-CB 4.36Å; P127-S129 PolarHBondContact O-N 2.81Å; P127-L133 HydrophobicContact CG-CB 4Å; P127-L133 HydrophobicContact CG-CD1 4.39Å
128P90.6Very high95.1Very high60 Ų6021.1 Ų21.139%0.3912%0.119SC..SBendtrans-76.544.1173.335.4-37.3000112.4Q10 D40Q10-P128 CarbonylContact O-C 3.56Å; Q10-P128 VanDerWaalsContact O-O 3.07Å; D40-P128 WeakPolarHBondContact OD2-CD 3.4Å
129S87Confident95.1Very high47 Ų4717.1 Ų17.133%0.32910%0.1SC..SBendtrans-143159.4179.3670000110P127 T134P127-S129 PolarHBondContact O-N 2.81Å; S129-T134 WeakPolarHBondContact O-CB 3.49Å; S129-T134 PolarHBondContact O-OG1 3.45Å
130L81.4Confident95.1Very high46 Ų4616.2 Ų16.224%0.24110%0.098CC..  trans-108.141.7176.2-61.4170.3000110.1Q10 T134 Q160 L161 T164Q10-L130 HydrophobicContact CB-CD1 4.23Å; Q10-L130 HydrophobicContact CB-CG 4.32Å; Q10-L130 HydrophobicContact CG-CD1 4.12Å; Q10-L130 HydrophobicContact CG-CG 4.23Å; L130-T134 HydrophobicContact CD2-CG2 4.21Å; L130-Q160 HydrophobicContact CD1-CB 3.86Å; L130-L161 HydrophobicContact CD2-CD1 4.04Å; L130-T164 HydrophobicContact CD2-CG2 4.22Å
131G89.3Confident95.1Very high21 Ų2113 Ų1322%0.2168%0.081CC..SBendtrans-89.9-164.2-178.900000114.4L133 T134 I135G131-L133 VanDerWaalsContact C-N 3.29Å; G131-L133 PolarHBondContact O-N 2.78Å; G131-T134 PolarHBondContact O-N 3.33Å; G131-I135 WeakPolarHBondContact O-CG1 3.21Å; G131-I135 PolarHBondContact O-N 3.02Å
132H92.9Very high95Very high31 Ų3115.5 Ų15.514%0.14410%0.095CC..Hα-helixtrans-61.4-33.7-178.9-70.6-63.6000113.1E95 L98 R104 I135 N136E95-H132 VanDerWaalsContact CD-N 3.34Å; E95-H132 PolarHBondContact O-CD2 3.03Å; E95-H132 PolarHBondContact OE1-N 3.02Å; E95-H132 VanDerWaalsContact OE1-N 3.1Å; E95-H132 VanDerWaalsContact OE2-CB 3.26Å; E95-H132 WeakPolarHBondContact OE2-CB 3.46Å; E95-H132 IonicContact OE2-CD2 3.1Å; E95-H132 PolarHBondContact OE2-CD2 3.39Å; E95-H132 IonicContact OE2-CG 2.68Å; E95-H132 PolarHBondContact OE2-N 3.08Å; L98-H132 HydrophobicContact CB-CB 4.23Å; L98-H132 HydrophobicContact CD1-CB 3.84Å; R104-H132 PolarHBondContact NE-CE1 3.47Å; H132-I135 PolarHBondContact O-N 3.31Å; H132-N136 WeakPolarHBondContact O-CB 3.33Å; H132-N136 PolarHBondContact O-N 3.44Å; H132-N136 PolarHBondContact O-ND2 3.35Å
133L95.2Very high94.9Very high6 Ų615.5 Ų15.53%0.03110%0.095CC..Hα-helixtrans-63.8-45.4177.4-65.9177.5000111.5L64 L91 A94 E95 L98 P127 G131 N136 A137L64-L133 HydrophobicContact CD1-CD2 3.64Å; L91-L133 HydrophobicContact CD1-CD1 4.29Å; L91-L133 HydrophobicContact CD1-CD2 3.71Å; L91-L133 HydrophobicContact CD2-CD1 4.2Å; L91-L133 HydrophobicContact CG-CD1 3.91Å; L91-L133 HydrophobicContact CG-CD2 4.26Å; A94-L133 HydrophobicContact CB-CD2 4.09Å; E95-L133 HydrophobicContact CG-CD1 4.3Å; E95-L133 HydrophobicContact CG-CG 4.25Å; E95-L133 WeakPolarHBondContact OE1-CG 3.46Å; E95-L133 PolarHBondContact OE1-N 3.07Å; L98-L133 HydrophobicContact CD1-CD2 4.34Å; P127-L133 HydrophobicContact CG-CB 4Å; P127-L133 HydrophobicContact CG-CD1 4.39Å; G131-L133 VanDerWaalsContact C-N 3.29Å; G131-L133 PolarHBondContact O-N 2.78Å; L133-N136 PolarHBondContact O-N 3.21Å; L133-A137 PolarHBondContact O-N 3.31Å
134T95.6Very high94.8Very high2 Ų215.5 Ų15.51%0.01210%0.095CC..Hα-helixtrans-68.6-38.3177.1-59.90000111.8S129 L130 G131 N136 A137 F138S129-T134 WeakPolarHBondContact O-CB 3.49Å; S129-T134 PolarHBondContact O-OG1 3.45Å; L130-T134 HydrophobicContact CD2-CG2 4.21Å; G131-T134 PolarHBondContact O-N 3.33Å; T134-N136 VanDerWaalsContact C-N 3.34Å; T134-N136 PolarHBondContact O-N 3.44Å; T134-A137 WeakPolarHBondContact O-CB 3.39Å; T134-A137 PolarHBondContact O-N 3.13Å; T134-F138 HydrophobicContact CG2-CD1 4.33Å; T134-F138 HydrophobicContact CG2-CD2 4.11Å; T134-F138 HydrophobicContact CG2-CE1 3.83Å; T134-F138 HydrophobicContact CG2-CE2 3.58Å; T134-F138 HydrophobicContact CG2-CG 4.46Å; T134-F138 HydrophobicContact CG2-CZ 3.41Å; T134-F138 VanDerWaalsContact CG2-CZ 3.41Å; T134-F138 VanDerWaalsContact O-CG 3.3Å; T134-F138 WeakPolarHBondContact O-CG 3.2Å; T134-F138 PolarHBondContact O-N 2.97Å
135I95.7Very high94.7Very high34 Ų3415.5 Ų15.517%0.17410%0.095CC..Hα-helixtrans-64-39.5175-67.2167.2000111.2E105 G131 H132 F138 T139 V168E105-I135 HydrophobicContact CB-CG2 3.81Å; E105-I135 HydrophobicContact CG-CG2 3.64Å; G131-I135 WeakPolarHBondContact O-CG1 3.21Å; G131-I135 PolarHBondContact O-N 3.02Å; H132-I135 PolarHBondContact O-N 3.31Å; I135-F138 PolarHBondContact O-N 3.37Å; I135-T139 VanDerWaalsContact O-CB 3.31Å; I135-T139 WeakPolarHBondContact O-CB 3.28Å; I135-T139 PolarHBondContact O-N 2.92Å; I135-T139 PolarHBondContact O-OG1 3.05Å; I135-V168 HydrophobicContact CG2-CG2 4.35Å
136N96.8Very high94.6Very high0 Ų015.5 Ų15.50%010%0.095CC..Hα-helixtrans-62-46.3174.1-92.8-87.1000111.8R104 E105 R107 L108 H132 L133 T134 F138 T139 A140R104-N136 VanDerWaalsContact O-CG 3.31Å; R104-N136 PolarHBondContact O-ND2 2.97Å; R104-N136 PolarHBondContact O-OD1 2.96Å; R104-N136 VanDerWaalsContact O-OD1 3.13Å; E105-N136 WeakPolarHBondContact O-CA 3.26Å; E105-N136 PolarHBondContact O-OD1 3.22Å; R107-N136 PolarHBondContact N-OD1 3.29Å; R107-N136 VanDerWaalsContact N-OD1 3.11Å; L108-N136 HydrophobicContact CB-CB 4.01Å; L108-N136 PolarHBondContact N-OD1 3.26Å; L108-N136 VanDerWaalsContact N-OD1 3.14Å; H132-N136 WeakPolarHBondContact O-CB 3.33Å; H132-N136 PolarHBondContact O-N 3.44Å; H132-N136 PolarHBondContact O-ND2 3.35Å; L133-N136 PolarHBondContact O-N 3.21Å; T134-N136 VanDerWaalsContact C-N 3.34Å; T134-N136 PolarHBondContact O-N 3.44Å; N136-F138 PolarHBondContact O-N 3.47Å; N136-T139 PolarHBondContact O-N 2.9Å; N136-A140 WeakPolarHBondContact O-CB 3.47Å; N136-A140 PolarHBondContact O-N 2.93Å; N136-A140 VanDerWaalsContact O-N 3.08Å
137A97.7Very high94.5Very high0 Ų015.5 Ų15.50%010%0.095CC..Hα-helixtrans-56.3-49.4176.100000111.4S6 V124 C126 L133 T134 A140 S141S6-A137 WeakPolarHBondContact OG-CB 3.38Å; S6-A137 PolarHBondContact OG-O 3.47Å; V124-A137 HydrophobicContact CB-CB 4.47Å; V124-A137 HydrophobicContact CG1-CB 3.76Å; C126-A137 WeakPolarHBondContact SG-CB 3.43Å; L133-A137 PolarHBondContact O-N 3.31Å; T134-A137 WeakPolarHBondContact O-CB 3.39Å; T134-A137 PolarHBondContact O-N 3.13Å; A137-A140 PolarHBondContact O-N 2.92Å; A137-S141 WeakPolarHBondContact O-CB 3.48Å; A137-S141 PolarHBondContact O-N 2.93Å; A137-S141 PolarHBondContact O-OG 3.14Å
138F97.7Very high94.3Very high0 Ų015.1 Ų15.10%09%0.092CC..Hα-helixtrans-68.3-38.2-179.2-67.7-3.7000113.1A8 T134 I135 N136 A140 S141 I144 L161 T164 V165 V168 N173 L176A8-F138 HydrophobicContact CB-CE1 3.46Å; A8-F138 VanDerWaalsContact CB-CE1 3.46Å; A8-F138 HydrophobicContact CB-CZ 3.56Å; T134-F138 HydrophobicContact CG2-CD1 4.33Å; T134-F138 HydrophobicContact CG2-CD2 4.11Å; T134-F138 HydrophobicContact CG2-CE1 3.83Å; T134-F138 HydrophobicContact CG2-CE2 3.58Å; T134-F138 HydrophobicContact CG2-CG 4.46Å; T134-F138 HydrophobicContact CG2-CZ 3.41Å; T134-F138 VanDerWaalsContact CG2-CZ 3.41Å; T134-F138 VanDerWaalsContact O-CG 3.3Å; T134-F138 WeakPolarHBondContact O-CG 3.2Å; T134-F138 PolarHBondContact O-N 2.97Å; I135-F138 PolarHBondContact O-N 3.37Å; N136-F138 PolarHBondContact O-N 3.47Å; F138-A140 PolarHBondContact O-N 3.35Å; F138-S141 PolarHBondContact O-N 2.97Å; F138-I144 HydrophobicContact CD1-CD1 3.69Å; F138-I144 HydrophobicContact CD1-CG1 4.05Å; F138-I144 HydrophobicContact CD2-CD1 4.1Å; F138-I144 HydrophobicContact CE1-CD1 3.64Å; F138-I144 HydrophobicContact CE1-CG1 4.03Å; F138-I144 HydrophobicContact CE1-CG2 4.39Å; F138-I144 HydrophobicContact CE2-CD1 4.06Å; F138-I144 HydrophobicContact CG-CD1 3.94Å; F138-I144 HydrophobicContact CZ-CD1 3.85Å; F138-L161 HydrophobicContact CE2-CD1 4Å; F138-L161 HydrophobicContact CZ-CD1 3.65Å; F138-T164 HydrophobicContact CD2-CG2 4.09Å; F138-T164 HydrophobicContact CE2-CG2 3.94Å; F138-V165 HydrophobicContact CD2-CG2 4.44Å; F138-V165 HydrophobicContact CE2-CG2 4.06Å; F138-V168 HydrophobicContact CB-CB 4.29Å; F138-V168 HydrophobicContact CB-CG1 3.83Å; F138-V168 HydrophobicContact CB-CG2 4.08Å; F138-V168 HydrophobicContact CD2-CG2 4.21Å; F138-N173 PolarHBondContact O-ND2 2.8Å; F138-L176 HydrophobicContact CB-CD2 3.8Å; F138-L176 HydrophobicContact CG-CD2 4.31Å
139T97.5Very high94.3Very high2 Ų213 Ų131%0.0128%0.077CC..Hα-helixtrans-63.9-31.8176.4-61.40000111.8E105 K109 I135 N136 F172 N173E105-T139 WeakPolarHBondContact O-CB 3.19Å; E105-T139 WeakPolarHBondContact O-CG2 3.33Å; E105-T139 PolarHBondContact O-OG1 3.49Å; K109-T139 HydrophobicContact CD-CG2 4.19Å; K109-T139 WeakPolarHBondContact CD-O 3.25Å; I135-T139 VanDerWaalsContact O-CB 3.31Å; I135-T139 WeakPolarHBondContact O-CB 3.28Å; I135-T139 PolarHBondContact O-N 2.92Å; I135-T139 PolarHBondContact O-OG1 3.05Å; N136-T139 PolarHBondContact O-N 2.9Å; T139-F172 HydrophobicContact CG2-CB 3.89Å; T139-N173 PolarHBondContact O-ND2 3.07Å
140A97.6Very high94.1Very high7 Ų711.1 Ų11.16%0.0586%0.064CC..Hα-helixtrans-89.3-14.7-179.600000114.7I4 L108 K109 L112 N136 A137 F138I4-A140 VanDerWaalsContact CD1-O 3.27Å; I4-A140 WeakPolarHBondContact CD1-O 3.2Å; L108-A140 HydrophobicContact CB-CB 4.15Å; L108-A140 HydrophobicContact CD2-CB 4.27Å; L108-A140 HydrophobicContact CG-CB 3.99Å; K109-A140 HydrophobicContact CB-CB 3.87Å; L112-A140 HydrophobicContact CD1-CB 4.02Å; N136-A140 WeakPolarHBondContact O-CB 3.47Å; N136-A140 PolarHBondContact O-N 2.93Å; N136-A140 VanDerWaalsContact O-N 3.08Å; A137-A140 PolarHBondContact O-N 2.92Å; F138-A140 PolarHBondContact O-N 3.35Å
141S98Very high93.9Very high1 Ų111.8 Ų11.81%0.0077%0.066CC..  trans-92.3150.1-172.6-61.30000113.4S6 A137 F138 N173 L176S6-S141 PolarHBondContact OG-OG 2.86Å; A137-S141 WeakPolarHBondContact O-CB 3.48Å; A137-S141 PolarHBondContact O-N 2.93Å; A137-S141 PolarHBondContact O-OG 3.14Å; F138-S141 PolarHBondContact O-N 2.97Å; S141-N173 PolarHBondContact O-ND2 3.06Å; S141-L176 WeakPolarHBondContact O-CD1 3.3Å
142D96.2Very high92.8Very high60 Ų6019.2 Ų19.232%0.3219%0.088SC..SBendtrans-81-33.5167.8-52.1-59.6000110.8R3 I4 E177R3-D142 VanDerWaalsContact NH1-CB 3.27Å; I4-D142 PolarHBondContact N-OD2 2.85Å; I4-D142 PolarHBondContact O-N 3.47Å; D142-E177 PolarHBondContact O-N 3.16Å
143A95.8Very high91.3Very high0 Ų023.6 Ų23.60%010%0.104CC..EExtended strand (participates in β ladder)trans-150.3169.9179.100000114.7R3 I4 I5 S6 E177 E179R3-A143 VanDerWaalsContact NH2-CB 3.28Å; I4-A143 PolarHBondContact O-N 2.84Å; I5-A143 WeakPolarHBondContact CA-O 3.44Å; S6-A143 PolarHBondContact N-O 3.22Å; A143-E177 CarbonylContact C-O 3.39Å; A143-E177 WeakPolarHBondContact CA-O 3.43Å; A143-E177 HydrophobicContact CB-CB 4.44Å; A143-E177 WeakPolarHBondContact CB-O 3.48Å; A143-E179 HydrophobicContact CB-CB 3.74Å; A143-E179 WeakPolarHBondContact CB-OE2 3.25Å
144I96.3Very high89.7Confident0 Ų023.6 Ų23.60%011%0.106CC..EExtended strand (participates in β ladder)trans-122.3127.3179.8-57.7171.5000110.1S6 A8 F138 I146 V165 L176 E177 I178 E179S6-I144 CarbonylContact O-C 3.56Å; S6-I144 VanDerWaalsContact O-CA 3.29Å; S6-I144 WeakPolarHBondContact O-CA 3.42Å; A8-I144 HydrophobicContact CB-CG2 4.15Å; F138-I144 HydrophobicContact CD1-CD1 3.69Å; F138-I144 HydrophobicContact CD1-CG1 4.05Å; F138-I144 HydrophobicContact CD2-CD1 4.1Å; F138-I144 HydrophobicContact CE1-CD1 3.64Å; F138-I144 HydrophobicContact CE1-CG1 4.03Å; F138-I144 HydrophobicContact CE1-CG2 4.39Å; F138-I144 HydrophobicContact CE2-CD1 4.06Å; F138-I144 HydrophobicContact CG-CD1 3.94Å; F138-I144 HydrophobicContact CZ-CD1 3.85Å; I144-I146 HydrophobicContact CG2-CG1 3.84Å; I144-V165 HydrophobicContact CD1-CB 4.37Å; I144-V165 HydrophobicContact CD1-CG1 4.18Å; I144-V165 HydrophobicContact CD1-CG2 3.34Å; I144-L176 HydrophobicContact CD1-CD1 4.02Å; I144-L176 HydrophobicContact CD1-CD2 3.87Å; I144-L176 HydrophobicContact CD1-CG 4.04Å; I144-L176 HydrophobicContact CG1-CD1 3.81Å; I144-L176 HydrophobicContact CG1-CG 4.32Å; I144-E177 PolarHBondContact N-O 3.44Å; I144-I178 HydrophobicContact CB-CD1 4.13Å; I144-I178 HydrophobicContact CD1-CD1 4.46Å; I144-E179 WeakPolarHBondContact O-CB 3.17Å; I144-E179 PolarHBondContact O-N 3.34Å
145L97Very high88.4Confident0 Ų025.6 Ų25.60%012%0.116CC..EExtended strand (participates in β ladder)trans-95.2127.3165.3-172.2157.5000108.7I5 S6 V7 A8 T19 L23 P147 G180 L182 Y209I5-L145 HydrophobicContact CG2-CB 3.86Å; S6-L145 PolarHBondContact O-N 2.77Å; V7-L145 WeakPolarHBondContact CA-O 3.27Å; V7-L145 HydrophobicContact CG1-CD2 4.26Å; V7-L145 HydrophobicContact CG2-CB 4.46Å; A8-L145 PolarHBondContact N-O 3.13Å; T19-L145 HydrophobicContact CG2-CD1 4.47Å; T19-L145 HydrophobicContact CG2-CD2 3.9Å; L23-L145 HydrophobicContact CD2-CD1 3.86Å; L145-P147 HydrophobicContact CD2-CG 3.84Å; L145-P147 WeakPolarHBondContact O-CD 3.49Å; L145-G180 WeakPolarHBondContact CA-O 3.33Å; L145-L182 HydrophobicContact CD2-CB 4.05Å; L145-L182 HydrophobicContact CD2-CD2 4.45Å; L145-Y209 HydrophobicContact CD1-CE2 3.87Å; L145-Y209 HydrophobicContact CG-CE2 3.97Å
146I95.3Very high87Confident0 Ų029.9 Ų29.90%014%0.135CC..EExtended strand (participates in β ladder)trans-111.7101.3-176.5-51.9175.2000110.4I144 V148 L158 L161 L162 I178 G180 V181 L182I144-I146 HydrophobicContact CG2-CG1 3.84Å; I146-V148 HydrophobicContact CG2-CG2 3.87Å; I146-V148 PolarHBondContact O-N 3.26Å; I146-L158 HydrophobicContact CD1-CD1 4.22Å; I146-L158 HydrophobicContact CG2-CD1 3.91Å; I146-L161 HydrophobicContact CB-CD2 4.35Å; I146-L161 HydrophobicContact CD1-CD2 3.71Å; I146-L161 HydrophobicContact CG1-CD2 3.82Å; I146-L161 HydrophobicContact CG2-CD2 3.62Å; I146-L162 HydrophobicContact CD1-CD2 4.47Å; I146-I178 HydrophobicContact CD1-CD1 3.92Å; I146-I178 HydrophobicContact CD1-CG2 4.13Å; I146-G180 PolarHBondContact N-O 3.01Å; I146-V181 HydrophobicContact CB-CG2 4.32Å; I146-V181 HydrophobicContact CD1-CG2 4.49Å; I146-V181 CarbonylContact O-C 3.55Å; I146-V181 WeakPolarHBondContact O-CA 3.27Å; I146-L182 PolarHBondContact O-N 3.38Å
147P95.2Very high85.7Confident0 Ų030.5 Ų30.50%014%0.142CC..EExtended strand (participates in β ladder)trans-71.5126.8169.5-16.631.7000110.4V7 N9 V14 K16 L145 L182 T184V7-P147 HydrophobicContact CG1-CG 3.58Å; N9-P147 PolarHBondContact ND2-O 2.82Å; V14-P147 HydrophobicContact CG2-CB 4.29Å; K16-P147 HydrophobicContact CG-CG 4.34Å; L145-P147 HydrophobicContact CD2-CG 3.84Å; L145-P147 WeakPolarHBondContact O-CD 3.49Å; P147-L182 CarbonylContact C-O 3.4Å; P147-L182 WeakPolarHBondContact CA-O 3.29Å; P147-T184 HydrophobicContact CB-CG2 3.95Å
148V92.1Very high84.9Confident0 Ų030.7 Ų30.70%014%0.143CC..EExtended strand (participates in β ladder)trans-122.9114.4-179.5179.30000109.3I146 A154 V181 L182 L183 T184 V200I146-V148 HydrophobicContact CG2-CG2 3.87Å; I146-V148 PolarHBondContact O-N 3.26Å; V148-A154 HydrophobicContact CG1-CB 3.7Å; V148-V181 HydrophobicContact CB-CG1 4.25Å; V148-V181 HydrophobicContact CG2-CG1 3.55Å; V148-L182 PolarHBondContact N-O 2.89Å; V148-L183 WeakPolarHBondContact O-CA 3.43Å; V148-T184 PolarHBondContact O-N 3.42Å; V148-T184 PolarHBondContact O-OG1 3Å; V148-V200 HydrophobicContact CG1-CG2 4.09Å
149Q90.1Very high84Confident17 Ų1733.5 Ų33.58%0.07916%0.162CC..EExtended strand (participates in β ladder)trans-70.4129176.6-172.4-177.59.600110.2V14 E151 A154 T184 M185V14-Q149 HydrophobicContact CB-CB 4.15Å; V14-Q149 HydrophobicContact CG1-CB 3.96Å; Q149-E151 HydrophobicContact CG-CB 4.49Å; Q149-E151 HydrophobicContact CG-CG 4.13Å; Q149-E151 PolarHBondContact NE2-OE1 3.26Å; Q149-E151 PolarHBondContact NE2-OE2 3.12Å; Q149-E151 VanDerWaalsContact NE2-OE2 3.1Å; Q149-E151 PolarHBondContact O-N 3.47Å; Q149-A154 VanDerWaalsContact O-CB 3.31Å; Q149-A154 WeakPolarHBondContact O-CB 3.33Å; Q149-T184 WeakPolarHBondContact CA-O 3.13Å; Q149-T184 PolarHBondContact N-OG1 3.41Å; Q149-M185 HydrophobicContact CG-CB 4.15Å; Q149-M185 HydrophobicContact CG-CG 4.47Å; Q149-M185 HydrophobicContact CG-SD 4.22Å
150C82.1Confident83.3Confident6 Ų637.3 Ų37.34%0.04118%0.18CC..SBendtrans-7463.2-179.1-56.20000113.4T184 Y186 V196C150-T184 PolarHBondContact N-O 2.91Å; C150-Y186 HydrophobicContact CB-CD2 4.14Å; C150-V196 HydrophobicContact CB-CG1 4.48Å
151E78.2Confident82.9Confident61 Ų6137 Ų3729%0.28518%0.177SC..SBendtrans-134167.7177.8-73179.4-175.200111.2K11 Q149 Y153 A154 R215K11-E151 IonicContact NZ-OE2 3.6Å; Q149-E151 HydrophobicContact CG-CB 4.49Å; Q149-E151 HydrophobicContact CG-CG 4.13Å; Q149-E151 PolarHBondContact NE2-OE1 3.26Å; Q149-E151 PolarHBondContact NE2-OE2 3.12Å; Q149-E151 VanDerWaalsContact NE2-OE2 3.1Å; Q149-E151 PolarHBondContact O-N 3.47Å; E151-Y153 VanDerWaalsContact C-N 3.28Å; E151-Y153 PolarHBondContact O-N 3.46Å; E151-A154 WeakPolarHBondContact O-CB 3.47Å; E151-A154 PolarHBondContact O-N 2.86Å; E151-R215 IonicContact OE1-CZ 3.88Å; E151-R215 IonicContact OE1-NH2 3.38Å; E151-R215 PolarHBondContact OE1-NH2 3.38Å
152Y66.2Low82.5Confident176 Ų17637.9 Ų37.969%0.6918%0.182SC*.THydrogen-bonded Turntrans-49.3-40.3-170-170.4-97.4000115.2A154 L192Y152-A154 VanDerWaalsContact C-N 3.3Å; Y152-A154 PolarHBondContact O-N 3.02Å; Y152-L192 HydrophobicContact CD2-CD1 4.02Å
153Y60.8Low82.1Confident123 Ų12338.4 Ų38.448%0.48219%0.185SC..THydrogen-bonded Turntrans-88.315.9-177.8-60.5-70.2000114.4E151 L155E151-Y153 VanDerWaalsContact C-N 3.28Å; E151-Y153 PolarHBondContact O-N 3.46Å; Y153-L155 VanDerWaalsContact C-N 3.31Å; Y153-L155 PolarHBondContact O-N 3.03Å
154A61.1Low81.8Confident7 Ų739.4 Ų39.46%0.05819%0.191CC..THydrogen-bonded Turntrans-57.1-41.4-175.600000113.7V148 Q149 E151 Y152 V196V148-A154 HydrophobicContact CG1-CB 3.7Å; Q149-A154 VanDerWaalsContact O-CB 3.31Å; Q149-A154 WeakPolarHBondContact O-CB 3.33Å; E151-A154 WeakPolarHBondContact O-CB 3.47Å; E151-A154 PolarHBondContact O-N 2.86Å; Y152-A154 VanDerWaalsContact C-N 3.3Å; Y152-A154 PolarHBondContact O-N 3.02Å; A154-V196 HydrophobicContact CB-CG1 3.53Å
155L69.3Low81.6Confident44 Ų4439.6 Ų39.623%0.2319%0.192CC..THydrogen-bonded Turntrans-89.7-22.5-170.8-64.7170.5000113.8Y153 L158 E199 V200Y153-L155 VanDerWaalsContact C-N 3.31Å; Y153-L155 PolarHBondContact O-N 3.03Å; L155-L158 HydrophobicContact CD2-CD2 4.03Å; L155-L158 VanDerWaalsContact O-CB 3.31Å; L155-L158 WeakPolarHBondContact O-CB 3.18Å; L155-L158 PolarHBondContact O-N 3.07Å; L155-E199 HydrophobicContact CD1-CB 3.95Å; L155-E199 HydrophobicContact CD1-CG 3.38Å; L155-E199 VanDerWaalsContact CD1-OE1 3.25Å; L155-E199 WeakPolarHBondContact CD1-OE1 3.47Å; L155-E199 WeakPolarHBondContact CD1-OE2 3.48Å; L155-V200 HydrophobicContact CD2-CG2 3.74Å
156E66.7Low81.3Confident123 Ų12343.6 Ų43.658%0.57521%0.207SC*.Hα-helixtrans-66.1-49.5-178.8-172.4178.6174.100111L158 S159E156-L158 PolarHBondContact O-N 3.29Å; E156-S159 PolarHBondContact O-N 2.86Å; E156-S159 PolarHBondContact O-OG 2.92Å
157G69Low81Confident13 Ų1348.3 Ų48.313%0.13423%0.232CC..Hα-helixtrans-66.6-18.7178.900000114.1L161G157-L161 PolarHBondContact O-N 3.27Å
158L80.4Confident80.9Confident5 Ų548.4 Ų48.43%0.02623%0.232CC..Hα-helixtrans-71.4-38.5177.9-172.366.9000112.3I146 L155 E156 Q160 L161 L162 Y203 F204I146-L158 HydrophobicContact CD1-CD1 4.22Å; I146-L158 HydrophobicContact CG2-CD1 3.91Å; L155-L158 HydrophobicContact CD2-CD2 4.03Å; L155-L158 VanDerWaalsContact O-CB 3.31Å; L155-L158 WeakPolarHBondContact O-CB 3.18Å; L155-L158 PolarHBondContact O-N 3.07Å; E156-L158 PolarHBondContact O-N 3.29Å; L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 3.27Å; L158-L161 HydrophobicContact CD1-CD2 4.42Å; L158-L161 WeakPolarHBondContact O-CB 3.34Å; L158-L161 PolarHBondContact O-N 3.35Å; L158-L162 HydrophobicContact CG-CD1 4.13Å; L158-L162 HydrophobicContact CG-CG 4.34Å; L158-L162 WeakPolarHBondContact O-CG 3.25Å; L158-L162 PolarHBondContact O-N 2.86Å; L158-Y203 HydrophobicContact CD2-CD1 4.41Å; L158-Y203 HydrophobicContact CD2-CE1 4.45Å; L158-F204 HydrophobicContact CD1-CE2 3.89Å; L158-F204 HydrophobicContact CD1-CZ 3.63Å; L158-F204 HydrophobicContact CD2-CD2 4.37Å; L158-F204 HydrophobicContact CD2-CE2 3.18Å; L158-F204 HydrophobicContact CD2-CZ 3.43Å; L158-F204 VanDerWaalsContact CD2-CZ 3.43Å; L158-F204 HydrophobicContact CG-CE2 3.99Å; L158-F204 HydrophobicContact CG-CZ 3.8Å
159S79.5Confident80.9Confident59 Ų5951.5 Ų51.541%0.41325%0.247SC..Hα-helixtrans-59.5-42.9-179.266.40000112.1E156 L162 N163E156-S159 PolarHBondContact O-N 2.86Å; E156-S159 PolarHBondContact O-OG 2.92Å; S159-L162 PolarHBondContact O-N 3.2Å; S159-N163 VanDerWaalsContact O-CG 3.25Å; S159-N163 PolarHBondContact O-N 3.46Å; S159-N163 PolarHBondContact O-ND2 3.15Å
160Q81.8Confident81Confident82 Ų8258.2 Ų58.238%0.38328%0.276SS..Hα-helixtrans-68.4-41.9178-59.1-171.136.100111.3Q10 L130 L158 N163 T164Q10-Q160 VanDerWaalsContact CD-OE1 3.3Å; Q10-Q160 VanDerWaalsContact OE1-CB 3.28Å; Q10-Q160 VanDerWaalsContact OE1-OE1 3.09Å; L130-Q160 HydrophobicContact CD1-CB 3.86Å; L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 3.27Å; Q160-N163 WeakPolarHBondContact O-CB 3.38Å; Q160-N163 PolarHBondContact O-N 3.03Å; Q160-T164 PolarHBondContact O-N 3.16Å; Q160-T164 PolarHBondContact O-OG1 2.94Å
161L89.6Confident81.4Confident0 Ų063.3 Ų63.30%030%0.299CS..Hα-helixtrans-57.2-50.9173.4176.565.6000111.2A8 L130 F138 I146 G157 L158 N163 T164 V165A8-L161 HydrophobicContact CB-CD1 4.28Å; L130-L161 HydrophobicContact CD2-CD1 4.04Å; F138-L161 HydrophobicContact CE2-CD1 4Å; F138-L161 HydrophobicContact CZ-CD1 3.65Å; I146-L161 HydrophobicContact CB-CD2 4.35Å; I146-L161 HydrophobicContact CD1-CD2 3.71Å; I146-L161 HydrophobicContact CG1-CD2 3.82Å; I146-L161 HydrophobicContact CG2-CD2 3.62Å; G157-L161 PolarHBondContact O-N 3.27Å; L158-L161 HydrophobicContact CD1-CD2 4.42Å; L158-L161 WeakPolarHBondContact O-CB 3.34Å; L158-L161 PolarHBondContact O-N 3.35Å; L161-N163 VanDerWaalsContact C-N 3.3Å; L161-N163 PolarHBondContact O-N 3.31Å; L161-T164 WeakPolarHBondContact O-CB 3.44Å; L161-T164 PolarHBondContact O-N 3Å; L161-V165 WeakPolarHBondContact O-CG2 3.14Å; L161-V165 PolarHBondContact O-N 2.91Å
162L89.6Confident82.2Confident19 Ų1964.4 Ų64.410%0.09930%0.303CS..Hα-helixtrans-62.7-36-179.7-67.2177.8000112.5I146 L158 S159 V165 R166 I178 Y203 F204I146-L162 HydrophobicContact CD1-CD2 4.47Å; L158-L162 HydrophobicContact CG-CD1 4.13Å; L158-L162 HydrophobicContact CG-CG 4.34Å; L158-L162 WeakPolarHBondContact O-CG 3.25Å; L158-L162 PolarHBondContact O-N 2.86Å; S159-L162 PolarHBondContact O-N 3.2Å; L162-V165 PolarHBondContact O-N 3.46Å; L162-R166 WeakPolarHBondContact O-CG 3.33Å; L162-R166 PolarHBondContact O-N 3.28Å; L162-R166 PolarHBondContact O-NE 3.34Å; L162-I178 HydrophobicContact CD2-CD1 4.46Å; L162-Y203 HydrophobicContact CD1-CE1 3.78Å; L162-F204 HydrophobicContact CD1-CZ 4.26Å; L162-F204 HydrophobicContact CD2-CE1 4.37Å; L162-F204 HydrophobicContact CD2-CZ 4.47Å
163N87.8Confident83.5Confident72 Ų7257 Ų5739%0.38528%0.275SS..Hα-helixtrans-60.7-45.4171.5-72.7-17.1000111.3S159 Q160 L161 R166 L167S159-N163 VanDerWaalsContact O-CG 3.25Å; S159-N163 PolarHBondContact O-N 3.46Å; S159-N163 PolarHBondContact O-ND2 3.15Å; Q160-N163 WeakPolarHBondContact O-CB 3.38Å; Q160-N163 PolarHBondContact O-N 3.03Å; L161-N163 VanDerWaalsContact C-N 3.3Å; L161-N163 PolarHBondContact O-N 3.31Å; N163-R166 PolarHBondContact O-N 2.9Å; N163-R166 PolarHBondContact OD1-NH1 3.39Å; N163-R166 PolarHBondContact OD1-NH2 3.06Å; N163-L167 WeakPolarHBondContact O-CG 3.47Å; N163-L167 PolarHBondContact O-N 2.99Å
164T89.1Confident85.1Confident20 Ų2056.4 Ų56.412%0.12329%0.286CS..Hα-helixtrans-63.2-43176.3-61.50000111.9L130 F138 Q160 L161 R166 L167 V168L130-T164 HydrophobicContact CD2-CG2 4.22Å; F138-T164 HydrophobicContact CD2-CG2 4.09Å; F138-T164 HydrophobicContact CE2-CG2 3.94Å; Q160-T164 PolarHBondContact O-N 3.16Å; Q160-T164 PolarHBondContact O-OG1 2.94Å; L161-T164 WeakPolarHBondContact O-CB 3.44Å; L161-T164 PolarHBondContact O-N 3Å; T164-R166 VanDerWaalsContact C-N 3.31Å; T164-R166 PolarHBondContact O-N 3.26Å; T164-L167 PolarHBondContact O-N 3.08Å; T164-V168 HydrophobicContact CG2-CG2 4.49Å; T164-V168 WeakPolarHBondContact O-CG2 3.14Å; T164-V168 PolarHBondContact O-N 3.4Å
165V92.5Very high86.5Confident4 Ų458.4 Ų58.42%0.02431%0.307CS..Hα-helixtrans-56.4-46.8175175.40000110.6F138 I144 L161 L162 L167 V168 Q169 L176 I178F138-V165 HydrophobicContact CD2-CG2 4.44Å; F138-V165 HydrophobicContact CE2-CG2 4.06Å; I144-V165 HydrophobicContact CD1-CB 4.37Å; I144-V165 HydrophobicContact CD1-CG1 4.18Å; I144-V165 HydrophobicContact CD1-CG2 3.34Å; L161-V165 WeakPolarHBondContact O-CG2 3.14Å; L161-V165 PolarHBondContact O-N 2.91Å; L162-V165 PolarHBondContact O-N 3.46Å; V165-L167 PolarHBondContact O-N 2.98Å; V165-V168 PolarHBondContact O-N 3.24Å; V165-Q169 HydrophobicContact CG1-CG 4.34Å; V165-Q169 WeakPolarHBondContact O-CB 3.36Å; V165-Q169 WeakPolarHBondContact O-CG 3.36Å; V165-Q169 PolarHBondContact O-N 3.35Å; V165-L176 HydrophobicContact CG1-CD2 4.12Å; V165-L176 HydrophobicContact CG1-CG 4.49Å; V165-I178 HydrophobicContact CG1-CD1 4.23Å; V165-I178 HydrophobicContact CG2-CD1 4.35Å
166R90.7Very high87.7Confident84 Ų8456.3 Ų56.332%0.31730%0.297SS..Hα-helixtrans-63.6-38.1178.4-77.2-178.4-84.5133.4-19.3113.3L162 N163 T164 K170 E360L162-R166 WeakPolarHBondContact O-CG 3.33Å; L162-R166 PolarHBondContact O-N 3.28Å; L162-R166 PolarHBondContact O-NE 3.34Å; N163-R166 PolarHBondContact O-N 2.9Å; N163-R166 PolarHBondContact OD1-NH1 3.39Å; N163-R166 PolarHBondContact OD1-NH2 3.06Å; T164-R166 VanDerWaalsContact C-N 3.31Å; T164-R166 PolarHBondContact O-N 3.26Å; R166-K170 WeakPolarHBondContact O-CB 3.29Å; R166-K170 PolarHBondContact O-N 2.91Å; R166-E360 VanDerWaalsContact CZ-CD 3.42Å; R166-E360 IonicContact CZ-OE1 2.79Å; R166-E360 IonicContact CZ-OE2 3.28Å; R166-E360 IonicContact NE-OE1 3.59Å; R166-E360 IonicContact NH1-OE1 3.52Å; R166-E360 PolarHBondContact NH1-OE1 3.23Å; R166-E360 IonicContact NH1-OE2 3.44Å; R166-E360 PolarHBondContact NH1-OE2 3.25Å; R166-E360 IonicContact NH2-OE1 3.55Å; R166-E360 PolarHBondContact NH2-OE1 2.95Å
167L89Confident88.9Confident99 Ų9954.3 Ų54.352%0.51829%0.287SS..Hα-helixtrans-64.3-43.3174.1-71.6172000111.6N163 T164 V165 K170 H171N163-L167 WeakPolarHBondContact O-CG 3.47Å; N163-L167 PolarHBondContact O-N 2.99Å; T164-L167 PolarHBondContact O-N 3.08Å; V165-L167 PolarHBondContact O-N 2.98Å; L167-K170 PolarHBondContact O-N 3.38Å; L167-H171 PolarHBondContact O-CD2 2.79Å; L167-H171 VanDerWaalsContact O-CD2 3.28Å; L167-H171 PolarHBondContact O-N 3.16Å; L167-H171 VanDerWaalsContact O-N 3.12Å
168V92.8Very high90Very high3 Ų355 Ų552%0.01829%0.288CS..Hα-helixtrans-66-44.2177175.50000111.1I135 F138 T164 V165 K170 H171 F172 N173 L176I135-V168 HydrophobicContact CG2-CG2 4.35Å; F138-V168 HydrophobicContact CB-CB 4.29Å; F138-V168 HydrophobicContact CB-CG1 3.83Å; F138-V168 HydrophobicContact CB-CG2 4.08Å; F138-V168 HydrophobicContact CD2-CG2 4.21Å; T164-V168 HydrophobicContact CG2-CG2 4.49Å; T164-V168 WeakPolarHBondContact O-CG2 3.14Å; T164-V168 PolarHBondContact O-N 3.4Å; V165-V168 PolarHBondContact O-N 3.24Å; V168-K170 VanDerWaalsContact C-N 3.27Å; V168-K170 PolarHBondContact O-N 3.31Å; V168-H171 PolarHBondContact O-N 3.3Å; V168-F172 HydrophobicContact CG1-CB 4.29Å; V168-F172 PolarHBondContact O-N 3.16Å; V168-N173 HydrophobicContact CG1-CB 4.08Å; V168-N173 PolarHBondContact O-N 2.9Å; V168-L176 HydrophobicContact CB-CD2 4.22Å; V168-L176 HydrophobicContact CG1-CD2 3.89Å
169Q93.1Very high90.5Very high64 Ų6455.1 Ų55.130%0.29929%0.288SS..Hα-helixtrans-55.1-43.4173.9-76.6173.5-28.700112.2V165 N173 P174 L176V165-Q169 HydrophobicContact CG1-CG 4.34Å; V165-Q169 WeakPolarHBondContact O-CB 3.36Å; V165-Q169 WeakPolarHBondContact O-CG 3.36Å; V165-Q169 PolarHBondContact O-N 3.35Å; Q169-N173 WeakPolarHBondContact CA-O 3.45Å; Q169-P174 VanDerWaalsContact O-CA 3.26Å; Q169-P174 WeakPolarHBondContact O-CA 3.22Å; Q169-L176 HydrophobicContact CG-CB 4.04Å; Q169-L176 PolarHBondContact NE2-O 2.9Å
170K92.1Very high91.1Very high159 Ų15952.3 Ų52.369%0.69127%0.268SS*.Hα-helixtrans-68.6-36.7-178-175.9176.5177.2-176.90113.3R166 L167 V168R166-K170 WeakPolarHBondContact O-CB 3.29Å; R166-K170 PolarHBondContact O-N 2.91Å; L167-K170 PolarHBondContact O-N 3.38Å; V168-K170 VanDerWaalsContact C-N 3.27Å; V168-K170 PolarHBondContact O-N 3.31Å
171H91.1Very high91.7Very high113 Ų11348.4 Ų48.452%0.52325%0.25SC..Hα-helixtrans-112.3-27.1-166.3-67.9-64.8000115.1L167 V168L167-H171 PolarHBondContact O-CD2 2.79Å; L167-H171 VanDerWaalsContact O-CD2 3.28Å; L167-H171 PolarHBondContact O-N 3.16Å; L167-H171 VanDerWaalsContact O-N 3.12Å; V168-H171 PolarHBondContact O-N 3.3Å
172F93Very high92Very high84 Ų8448.4 Ų48.437%0.36825%0.25SC..THydrogen-bonded Turntrans-134.1-35.6-167.6-54.3-68.3000114.4E105 T139 V168E105-F172 HydrophobicContact CB-CD1 3.97Å; E105-F172 HydrophobicContact CB-CD2 4.47Å; E105-F172 HydrophobicContact CB-CE1 3.83Å; E105-F172 HydrophobicContact CB-CE2 4.35Å; E105-F172 HydrophobicContact CB-CG 4.3Å; E105-F172 HydrophobicContact CB-CZ 4.04Å; E105-F172 HydrophobicContact CG-CD1 4.43Å; E105-F172 HydrophobicContact CG-CE1 3.82Å; E105-F172 HydrophobicContact CG-CE2 3.96Å; E105-F172 HydrophobicContact CG-CZ 3.57Å; T139-F172 HydrophobicContact CG2-CB 3.89Å; V168-F172 HydrophobicContact CG1-CB 4.29Å; V168-F172 PolarHBondContact O-N 3.16Å
173N94.9Very high92.2Very high19 Ų1947.5 Ų47.510%0.10225%0.245CC..  trans-146.679.5-174.9-17210000113.4F138 T139 S141 V168 Q169 G175 L176F138-N173 PolarHBondContact O-ND2 2.8Å; T139-N173 PolarHBondContact O-ND2 3.07Å; S141-N173 PolarHBondContact O-ND2 3.06Å; V168-N173 HydrophobicContact CG1-CB 4.08Å; V168-N173 PolarHBondContact O-N 2.9Å; Q169-N173 WeakPolarHBondContact CA-O 3.45Å; N173-G175 PolarHBondContact O-N 2.89Å; N173-G175 VanDerWaalsContact O-N 3.08Å; N173-L176 HydrophobicContact CB-CB 4.32Å; N173-L176 WeakPolarHBondContact O-CB 3.41Å; N173-L176 PolarHBondContact O-N 2.76Å; N173-L176 VanDerWaalsContact O-N 3.12Å
174P93.2Very high92.5Very high112 Ų11244.2 Ų44.273%0.72723%0.228SC*.THydrogen-bonded Turntrans-60.1-19.8-178-24.434.4000115.5Q169Q169-P174 VanDerWaalsContact O-CA 3.26Å; Q169-P174 WeakPolarHBondContact O-CA 3.22Å
175G91.9Very high92.6Very high48 Ų4845.9 Ų45.950%0.49524%0.235SC..THydrogen-bonded Turntrans-910.2179.800000114.6N173 E177N173-G175 PolarHBondContact O-N 2.89Å; N173-G175 VanDerWaalsContact O-N 3.08Å; G175-E177 PolarHBondContact O-N 2.87Å
176L94.2Very high92.5Very high1 Ų148.5 Ų48.51%0.00525%0.245CC..  trans-64.9122179.3-177.964.8000110.7F138 S141 I144 V165 V168 Q169 N173F138-L176 HydrophobicContact CB-CD2 3.8Å; F138-L176 HydrophobicContact CG-CD2 4.31Å; S141-L176 WeakPolarHBondContact O-CD1 3.3Å; I144-L176 HydrophobicContact CD1-CD1 4.02Å; I144-L176 HydrophobicContact CD1-CD2 3.87Å; I144-L176 HydrophobicContact CD1-CG 4.04Å; I144-L176 HydrophobicContact CG1-CD1 3.81Å; I144-L176 HydrophobicContact CG1-CG 4.32Å; V165-L176 HydrophobicContact CG1-CD2 4.12Å; V165-L176 HydrophobicContact CG1-CG 4.49Å; V168-L176 HydrophobicContact CB-CD2 4.22Å; V168-L176 HydrophobicContact CG1-CD2 3.89Å; Q169-L176 HydrophobicContact CG-CB 4.04Å; Q169-L176 PolarHBondContact NE2-O 2.9Å; N173-L176 HydrophobicContact CB-CB 4.32Å; N173-L176 WeakPolarHBondContact O-CB 3.41Å; N173-L176 PolarHBondContact O-N 2.76Å; N173-L176 VanDerWaalsContact O-N 3.12Å
177E92.7Very high92.3Very high81 Ų8146 Ų4638%0.37924%0.238SC..EExtended strand (participates in β ladder)trans-115.3164.6-179.6-68.3-179.5175.100112.7D142 A143 I144 G175D142-E177 PolarHBondContact O-N 3.16Å; A143-E177 CarbonylContact C-O 3.39Å; A143-E177 WeakPolarHBondContact CA-O 3.43Å; A143-E177 HydrophobicContact CB-CB 4.44Å; A143-E177 WeakPolarHBondContact CB-O 3.48Å; I144-E177 PolarHBondContact N-O 3.44Å; G175-E177 PolarHBondContact O-N 2.87Å
178I91.7Very high92Very high28 Ų2845 Ų4514%0.14424%0.243CC..EExtended strand (participates in β ladder)trans-85.9113.2163.4-56.3-52000107.2I144 I146 L162 V165 V181 K207I144-I178 HydrophobicContact CB-CD1 4.13Å; I144-I178 HydrophobicContact CD1-CD1 4.46Å; I146-I178 HydrophobicContact CD1-CD1 3.92Å; I146-I178 HydrophobicContact CD1-CG2 4.13Å; L162-I178 HydrophobicContact CD2-CD1 4.46Å; V165-I178 HydrophobicContact CG1-CD1 4.23Å; V165-I178 HydrophobicContact CG2-CD1 4.35Å; I178-V181 HydrophobicContact CG2-CG2 4.41Å; I178-K207 PolarHBondContact O-NZ 2.74Å
179E90.8Very high91.5Very high6 Ų654.9 Ų54.93%0.02828%0.28CS..EExtended strand (participates in β ladder)trans-64.7-51.7175.5-175.368.2-164.200109R3 I5 A143 I144 Y209R3-E179 IonicContact CZ-OE2 3.39Å; R3-E179 IonicContact NE-OE2 3.35Å; R3-E179 IonicContact NH2-OE2 2.65Å; R3-E179 PolarHBondContact NH2-OE2 2.99Å; I5-E179 HydrophobicContact CD1-CG 4.36Å; A143-E179 HydrophobicContact CB-CB 3.74Å; A143-E179 WeakPolarHBondContact CB-OE2 3.25Å; I144-E179 WeakPolarHBondContact O-CB 3.17Å; I144-E179 PolarHBondContact O-N 3.34Å; E179-Y209 VanDerWaalsContact CG-OH 3.27Å; E179-Y209 WeakPolarHBondContact CG-OH 3.39Å
180G92Very high90.8Very high0 Ų054.5 Ų54.50%028%0.282CS..EExtended strand (participates in β ladder)trans176.7172.4176.800000113.3L145 I146 K207L145-G180 WeakPolarHBondContact CA-O 3.33Å; I146-G180 PolarHBondContact N-O 3.01Å; G180-K207 CarbonylContact C-O 3.41Å; G180-K207 WeakPolarHBondContact CA-O 3.3Å
181V93.2Very high90.3Very high0 Ų053.1 Ų53.10%028%0.282CS..EExtended strand (participates in β ladder)trans-116.2118.7-178.6-176.60000108.6I146 V148 I178 V200 F204 K207 V208 Y209I146-V181 HydrophobicContact CB-CG2 4.32Å; I146-V181 HydrophobicContact CD1-CG2 4.49Å; I146-V181 CarbonylContact O-C 3.55Å; I146-V181 WeakPolarHBondContact O-CA 3.27Å; V148-V181 HydrophobicContact CB-CG1 4.25Å; V148-V181 HydrophobicContact CG2-CG1 3.55Å; I178-V181 HydrophobicContact CG2-CG2 4.41Å; V181-V200 HydrophobicContact CG1-CG1 3.74Å; V181-F204 HydrophobicContact CB-CD2 4.21Å; V181-F204 HydrophobicContact CB-CG 4.39Å; V181-F204 HydrophobicContact CG1-CD2 4.15Å; V181-F204 HydrophobicContact CG1-CE2 4.22Å; V181-F204 HydrophobicContact CG2-CB 4.18Å; V181-F204 HydrophobicContact CG2-CD1 3.7Å; V181-F204 HydrophobicContact CG2-CD2 3.61Å; V181-F204 HydrophobicContact CG2-CE1 3.89Å; V181-F204 HydrophobicContact CG2-CE2 3.72Å; V181-F204 HydrophobicContact CG2-CG 3.57Å; V181-F204 HydrophobicContact CG2-CZ 3.89Å; V181-K207 PolarHBondContact N-O 2.73Å; V181-V208 HydrophobicContact CB-CG2 4.34Å; V181-V208 WeakPolarHBondContact O-CA 3.27Å; V181-Y209 PolarHBondContact O-N 2.94Å
182L96Very high89.8Confident0 Ų050.7 Ų50.70%027%0.273CS..EExtended strand (participates in β ladder)trans-101.1116.8-177.6179.565.7000109.7T19 L145 I146 P147 V148 T184 Y209 T211 I213 L245T19-L182 HydrophobicContact CG2-CD2 3.59Å; L145-L182 HydrophobicContact CD2-CB 4.05Å; L145-L182 HydrophobicContact CD2-CD2 4.45Å; I146-L182 PolarHBondContact O-N 3.38Å; P147-L182 CarbonylContact C-O 3.4Å; P147-L182 WeakPolarHBondContact CA-O 3.29Å; V148-L182 PolarHBondContact N-O 2.89Å; L182-T184 HydrophobicContact CD2-CG2 4.01Å; L182-T184 HydrophobicContact CG-CG2 3.95Å; L182-T184 PolarHBondContact O-N 3.1Å; L182-Y209 HydrophobicContact CB-CD2 4.02Å; L182-Y209 HydrophobicContact CD1-CD2 4.34Å; L182-T211 WeakPolarHBondContact CD1-O 3.4Å; L182-I213 HydrophobicContact CD1-CD1 4.24Å; L182-I213 HydrophobicContact CD1-CG1 3.93Å; L182-I213 HydrophobicContact CD2-CG1 3.91Å; L182-I213 HydrophobicContact CG-CG1 4.04Å; L182-L245 HydrophobicContact CD1-CD1 3.79Å; L182-L245 HydrophobicContact CD1-CD2 3.95Å; L182-L245 HydrophobicContact CD1-CG 4.43Å; L182-L245 HydrophobicContact CD2-CD2 3.53Å; L182-L245 HydrophobicContact CG-CD2 4.36Å
183L94Very high89.1Confident0 Ų046.7 Ų46.70%026%0.256CS..EExtended strand (participates in β ladder)trans-76.2123174.6-68.8162000109.9V148 V197 V200 V208 I212 I213V148-L183 WeakPolarHBondContact O-CA 3.43Å; L183-V197 HydrophobicContact CD1-CB 4.17Å; L183-V197 HydrophobicContact CD1-CG1 3.77Å; L183-V197 HydrophobicContact CD1-CG2 3.83Å; L183-V197 HydrophobicContact CD2-CG2 4.31Å; L183-V200 HydrophobicContact CD2-CB 4.02Å; L183-V200 HydrophobicContact CD2-CG1 3.91Å; L183-V200 HydrophobicContact CD2-CG2 4.15Å; L183-V208 HydrophobicContact CD1-CG1 3.8Å; L183-V208 HydrophobicContact CG-CG1 4.16Å; L183-I212 HydrophobicContact CB-CB 4.48Å; L183-I212 HydrophobicContact CB-CG1 4.15Å; L183-I212 HydrophobicContact CB-CG2 4.01Å; L183-I212 HydrophobicContact CD1-CD1 4.01Å; L183-I212 HydrophobicContact CD1-CG1 4.12Å; L183-I213 PolarHBondContact O-N 3.36Å
184T94.2Very high88.7Confident3 Ų347.7 Ų47.72%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-122.8157.9-174.4640000113.5V14 P147 V148 Q149 C150 L182 Y186 I213V14-T184 PolarHBondContact O-OG1 3.26Å; P147-T184 HydrophobicContact CB-CG2 3.95Å; V148-T184 PolarHBondContact O-N 3.42Å; V148-T184 PolarHBondContact O-OG1 3Å; Q149-T184 WeakPolarHBondContact CA-O 3.13Å; Q149-T184 PolarHBondContact N-OG1 3.41Å; C150-T184 PolarHBondContact N-O 2.91Å; L182-T184 HydrophobicContact CD2-CG2 4.01Å; L182-T184 HydrophobicContact CG-CG2 3.95Å; L182-T184 PolarHBondContact O-N 3.1Å; T184-Y186 PolarHBondContact O-N 3.01Å; T184-I213 CarbonylContact C-O 3.49Å; T184-I213 HydrophobicContact CG2-CB 4.35Å; T184-I213 HydrophobicContact CG2-CG1 4.26Å
185M90.6Very high88.2Confident55 Ų5547.7 Ų47.727%0.27126%0.256SS..EExtended strand (participates in β ladder)trans52.435.5179.7-53.6-170.3179.800113.4G13 Q149 D187 I213 R215G13-M185 WeakPolarHBondContact O-CE 3.32Å; Q149-M185 HydrophobicContact CG-CB 4.15Å; Q149-M185 HydrophobicContact CG-CG 4.47Å; Q149-M185 HydrophobicContact CG-SD 4.22Å; M185-D187 PolarHBondContact O-N 2.81Å; M185-I213 PolarHBondContact N-O 2.87Å; M185-R215 HydrophobicContact CB-CG 4.01Å; M185-R215 WeakPolarHBondContact O-CG 3.07Å; M185-R215 PolarHBondContact O-NE 3.3Å
186Y90.8Very high87.8Confident60 Ų6045.8 Ų45.824%0.23524%0.235CC..EExtended strand (participates in β ladder)trans-63.9131.6-179.7179.9-112.6000111C150 T184 A188 V197 I212 I213 P214 R215C150-Y186 HydrophobicContact CB-CD2 4.14Å; T184-Y186 PolarHBondContact O-N 3.01Å; Y186-A188 HydrophobicContact CD1-CB 4.43Å; Y186-A188 HydrophobicContact CE1-CB 3.69Å; Y186-V197 HydrophobicContact CD2-CG2 3.89Å; Y186-V197 HydrophobicContact CE2-CG2 3.84Å; Y186-I212 VanDerWaalsContact CB-CG2 3.42Å; Y186-I212 HydrophobicContact CD1-CG2 4.11Å; Y186-I212 HydrophobicContact CG-CG2 3.8Å; Y186-I213 PolarHBondContact N-O 3.03Å; Y186-P214 WeakPolarHBondContact O-CA 3.44Å; Y186-R215 PolarHBondContact O-N 2.7Å; Y186-R215 VanDerWaalsContact O-N 3.1Å
187D87Confident87.5Confident32 Ų3246.5 Ų46.517%0.17124%0.24CC..  trans-118.2101.3172-169.3-16.7000109.6M185 R189 T190M185-D187 PolarHBondContact O-N 2.81Å; D187-R189 PolarHBondContact O-N 2.89Å; D187-R189 VanDerWaalsContact OD1-CB 3.27Å; D187-R189 WeakPolarHBondContact OD1-CB 3.45Å; D187-R189 WeakPolarHBondContact OD1-CG 3.4Å; D187-R189 IonicContact OD1-CZ 2.97Å; D187-R189 PolarHBondContact OD1-N 3.37Å; D187-R189 IonicContact OD1-NE 2.86Å; D187-R189 PolarHBondContact OD1-NE 2.92Å; D187-R189 IonicContact OD1-NH2 3.76Å; D187-R189 IonicContact OD2-CZ 3.45Å; D187-R189 IonicContact OD2-NE 3.76Å; D187-R189 PolarHBondContact OD2-NE 3.45Å; D187-R189 IonicContact OD2-NH2 3.06Å; D187-R189 PolarHBondContact OD2-NH2 2.7Å; D187-T190 HydrophobicContact CB-CG2 4.24Å; D187-T190 PolarHBondContact O-N 2.99Å; D187-T190 VanDerWaalsContact O-N 3.08Å; D187-T190 PolarHBondContact O-OG1 3.42Å
188A82.2Confident87.2Confident76 Ų7648.5 Ų48.563%0.62825%0.249SC*.THydrogen-bonded Turntrans-61.1-11.7-179.400000114Y186 T190Y186-A188 HydrophobicContact CD1-CB 4.43Å; Y186-A188 HydrophobicContact CE1-CB 3.69Å; A188-T190 VanDerWaalsContact C-N 3.28Å
189R83.1Confident86.9Confident211 Ų21151.8 Ų51.880%0.79626%0.264SS*.THydrogen-bonded Turntrans-82.4-7.5177.9-57171.3-65.5175.54.9112.8D187D187-R189 PolarHBondContact O-N 2.89Å; D187-R189 VanDerWaalsContact OD1-CB 3.27Å; D187-R189 WeakPolarHBondContact OD1-CB 3.45Å; D187-R189 WeakPolarHBondContact OD1-CG 3.4Å; D187-R189 IonicContact OD1-CZ 2.97Å; D187-R189 PolarHBondContact OD1-N 3.37Å; D187-R189 IonicContact OD1-NE 2.86Å; D187-R189 PolarHBondContact OD1-NE 2.92Å; D187-R189 IonicContact OD1-NH2 3.76Å; D187-R189 IonicContact OD2-CZ 3.45Å; D187-R189 IonicContact OD2-NE 3.76Å; D187-R189 PolarHBondContact OD2-NE 3.45Å; D187-R189 IonicContact OD2-NH2 3.06Å; D187-R189 PolarHBondContact OD2-NH2 2.7Å
190T79.2Confident86.6Confident56 Ų5651.5 Ų51.534%0.34426%0.262SS..  trans-113.4131-173.6680000111.1D187 A188 L192 G193D187-T190 HydrophobicContact CB-CG2 4.24Å; D187-T190 PolarHBondContact O-N 2.99Å; D187-T190 VanDerWaalsContact O-N 3.08Å; D187-T190 PolarHBondContact O-OG1 3.42Å; A188-T190 VanDerWaalsContact C-N 3.28Å; T190-L192 VanDerWaalsContact C-N 3.26Å; T190-L192 PolarHBondContact O-N 3.29Å; T190-G193 PolarHBondContact O-N 3.24Å; T190-G193 PolarHBondContact OG1-N 2.98Å
191N80.4Confident86.4Confident130 Ų13054.8 Ų54.870%0.69528%0.275SS*.Hα-helixtrans-62.6-37.6172.8-69.1-16.2000111.1G193 A194 E195N191-G193 VanDerWaalsContact C-N 3.28Å; N191-G193 PolarHBondContact O-N 2.68Å; N191-A194 WeakPolarHBondContact O-CB 3.44Å; N191-A194 PolarHBondContact O-N 3.45Å; N191-E195 WeakPolarHBondContact O-CG 3.44Å; N191-E195 PolarHBondContact O-N 3.01Å
192L79.9Confident85.9Confident63 Ų6360.8 Ų60.833%0.3330%0.297SS..Hα-helixtrans-55.5-42.9177179.863.9000112.3Y152 T190 A194 E195 V196Y152-L192 HydrophobicContact CD2-CD1 4.02Å; T190-L192 VanDerWaalsContact C-N 3.26Å; T190-L192 PolarHBondContact O-N 3.29Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 2.9Å; L192-E195 PolarHBondContact O-N 2.69Å; L192-V196 HydrophobicContact CD1-CG2 4.33Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 2.97Å; L192-V196 PolarHBondContact O-N 3.47Å
193G79.7Confident85.1Confident0 Ų067.4 Ų67.40%032%0.324CS..Hα-helixtrans-59.8-45.9176.600000111.6T190 N191 V196 V197T190-G193 PolarHBondContact O-N 3.24Å; T190-G193 PolarHBondContact OG1-N 2.98Å; N191-G193 VanDerWaalsContact C-N 3.28Å; N191-G193 PolarHBondContact O-N 2.68Å; G193-V196 PolarHBondContact O-N 3.47Å; G193-V197 WeakPolarHBondContact O-CG2 2.98Å; G193-V197 PolarHBondContact O-N 2.99Å
194A85.1Confident84.5Confident39 Ų3968.3 Ų68.332%0.32233%0.327SS..Hα-helixtrans-64.5-43.7178.400000112.4N191 L192 V196 V197 E198N191-A194 WeakPolarHBondContact O-CB 3.44Å; N191-A194 PolarHBondContact O-N 3.45Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 2.9Å; A194-V196 VanDerWaalsContact C-N 3.34Å; A194-V196 PolarHBondContact O-N 2.96Å; A194-V197 PolarHBondContact O-N 3.24Å; A194-E198 WeakPolarHBondContact O-CG 3.49Å; A194-E198 PolarHBondContact O-N 3.37Å
195E84.3Confident84.1Confident112 Ų11272.3 Ų72.352%0.52335%0.346SS..Hα-helixtrans-58.9-44.3176.5-71.4169.6-161.600111.6N191 L192 E198 E199N191-E195 WeakPolarHBondContact O-CG 3.44Å; N191-E195 PolarHBondContact O-N 3.01Å; L192-E195 PolarHBondContact O-N 2.69Å; E195-E198 PolarHBondContact O-N 3.41Å; E195-E199 WeakPolarHBondContact O-CB 3.28Å; E195-E199 PolarHBondContact O-N 3.43Å
196V83.5Confident83.7Confident8 Ų876.3 Ų76.35%0.04836%0.364CS..Hα-helixtrans-64.7-41.5176.5173.50000111.4C150 A154 L192 G193 A194 E198 E199 V200C150-V196 HydrophobicContact CB-CG1 4.48Å; A154-V196 HydrophobicContact CB-CG1 3.53Å; L192-V196 HydrophobicContact CD1-CG2 4.33Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 2.97Å; L192-V196 PolarHBondContact O-N 3.47Å; G193-V196 PolarHBondContact O-N 3.47Å; A194-V196 VanDerWaalsContact C-N 3.34Å; A194-V196 PolarHBondContact O-N 2.96Å; V196-E198 PolarHBondContact O-N 2.89Å; V196-E199 PolarHBondContact O-N 2.93Å; V196-V200 HydrophobicContact CG1-CG2 4.08Å; V196-V200 WeakPolarHBondContact O-CB 3.29Å; V196-V200 WeakPolarHBondContact O-CG2 3.16Å; V196-V200 PolarHBondContact O-N 2.74Å
197V86.8Confident83.5Confident17 Ų1776.7 Ų76.710%0.10337%0.367CS..Hα-helixtrans-59.6-47.2175.61700000110.9L183 Y186 G193 A194 E199 R201 I212L183-V197 HydrophobicContact CD1-CB 4.17Å; L183-V197 HydrophobicContact CD1-CG1 3.77Å; L183-V197 HydrophobicContact CD1-CG2 3.83Å; L183-V197 HydrophobicContact CD2-CG2 4.31Å; Y186-V197 HydrophobicContact CD2-CG2 3.89Å; Y186-V197 HydrophobicContact CE2-CG2 3.84Å; G193-V197 WeakPolarHBondContact O-CG2 2.98Å; G193-V197 PolarHBondContact O-N 2.99Å; A194-V197 PolarHBondContact O-N 3.24Å; V197-E199 VanDerWaalsContact C-N 3.34Å; V197-E199 PolarHBondContact O-N 2.71Å; V197-R201 HydrophobicContact CG1-CG 4.39Å; V197-R201 WeakPolarHBondContact O-CB 3.03Å; V197-R201 WeakPolarHBondContact O-CG 3.32Å; V197-R201 PolarHBondContact O-N 3.33Å; V197-I212 HydrophobicContact CG1-CD1 4.26Å; V197-I212 HydrophobicContact CG2-CD1 4.39Å
198E87.3Confident83.6Confident123 Ų12375.4 Ų75.458%0.57536%0.36SS*.Hα-helixtrans-61.5-42.1178.6-72.7-173.4160.400112.1A194 E195 V196 R202A194-E198 WeakPolarHBondContact O-CG 3.49Å; A194-E198 PolarHBondContact O-N 3.37Å; E195-E198 PolarHBondContact O-N 3.41Å; V196-E198 PolarHBondContact O-N 2.89Å; E198-R202 WeakPolarHBondContact O-CB 3.48Å; E198-R202 PolarHBondContact O-N 2.98Å
199E83.9Confident84.1Confident96 Ų9671.8 Ų71.845%0.44933%0.33SS..Hα-helixtrans-70.9-41.4-178.6-162.1172.2-178.400112.3L155 E195 V196 V197 R202 Y203L155-E199 HydrophobicContact CD1-CB 3.95Å; L155-E199 HydrophobicContact CD1-CG 3.38Å; L155-E199 VanDerWaalsContact CD1-OE1 3.25Å; L155-E199 WeakPolarHBondContact CD1-OE1 3.47Å; L155-E199 WeakPolarHBondContact CD1-OE2 3.48Å; E195-E199 WeakPolarHBondContact O-CB 3.28Å; E195-E199 PolarHBondContact O-N 3.43Å; V196-E199 PolarHBondContact O-N 2.93Å; V197-E199 VanDerWaalsContact C-N 3.34Å; V197-E199 PolarHBondContact O-N 2.71Å; E199-R202 PolarHBondContact O-N 2.99Å; E199-Y203 WeakPolarHBondContact O-CB 3.44Å; E199-Y203 PolarHBondContact O-N 3.22Å
200V86.2Confident84.5Confident0 Ų068 Ų680%033%0.326CS..Hα-helixtrans-64.6-45.7174.7174.60000110.7V148 L155 V181 L183 V196 R202 Y203 F204 V208V148-V200 HydrophobicContact CG1-CG2 4.09Å; L155-V200 HydrophobicContact CD2-CG2 3.74Å; V181-V200 HydrophobicContact CG1-CG1 3.74Å; L183-V200 HydrophobicContact CD2-CB 4.02Å; L183-V200 HydrophobicContact CD2-CG1 3.91Å; L183-V200 HydrophobicContact CD2-CG2 4.15Å; V196-V200 HydrophobicContact CG1-CG2 4.08Å; V196-V200 WeakPolarHBondContact O-CB 3.29Å; V196-V200 WeakPolarHBondContact O-CG2 3.16Å; V196-V200 PolarHBondContact O-N 2.74Å; V200-R202 VanDerWaalsContact C-N 3.32Å; V200-R202 PolarHBondContact O-N 3.32Å; V200-Y203 PolarHBondContact O-N 3.4Å; V200-F204 HydrophobicContact CG1-CD2 3.95Å; V200-F204 PolarHBondContact O-N 3.21Å; V200-V208 HydrophobicContact CG1-CG2 4.01Å
201R86.3Confident85.1Confident70 Ų7066.1 Ų66.126%0.26431%0.314SS..Hα-helixtrans-62.8-37.1175.5-74.8-171.5-178-74.1-5.2112.6V197 Q205 V208 Y209 D210V197-R201 HydrophobicContact CG1-CG 4.39Å; V197-R201 WeakPolarHBondContact O-CB 3.03Å; V197-R201 WeakPolarHBondContact O-CG 3.32Å; V197-R201 PolarHBondContact O-N 3.33Å; R201-Q205 WeakPolarHBondContact O-CA 3.49Å; R201-Q205 PolarHBondContact O-N 3.34Å; R201-V208 HydrophobicContact CG-CB 4.09Å; R201-V208 HydrophobicContact CG-CG1 3.89Å; R201-V208 HydrophobicContact CG-CG2 4.21Å; R201-Y209 PolarHBondContact NH2-O 3.49Å; R201-D210 IonicContact NH1-OD1 3.69Å
202R83Confident85.8Confident125 Ų12562.1 Ų62.147%0.47229%0.292SS..Hα-helixtrans-65.1-39.9174.4173.4-168.5-68.1170.820112.3E198 E199 V200 G390E198-R202 WeakPolarHBondContact O-CB 3.48Å; E198-R202 PolarHBondContact O-N 2.98Å; E199-R202 PolarHBondContact O-N 2.99Å; V200-R202 VanDerWaalsContact C-N 3.32Å; V200-R202 PolarHBondContact O-N 3.32Å; R202-G390 PolarHBondContact NH1-O 2.62Å
203Y80.6Confident86.5Confident140 Ų14059.3 Ų59.355%0.54928%0.277SS..Hα-helixtrans-76.9-46.2-177.5-173-92.9000112.8L158 L162 E199 V200L158-Y203 HydrophobicContact CD2-CD1 4.41Å; L158-Y203 HydrophobicContact CD2-CE1 4.45Å; L162-Y203 HydrophobicContact CD1-CE1 3.78Å; E199-Y203 WeakPolarHBondContact O-CB 3.44Å; E199-Y203 PolarHBondContact O-N 3.22Å; V200-Y203 PolarHBondContact O-N 3.4Å
204F80.2Confident87.1Confident18 Ų1861 Ų618%0.07929%0.288CS..Hα-helixtrans-98-12.1-175.5-76.1-69.8000115.2L158 L162 V181 V200 E206 K207 V208L158-F204 HydrophobicContact CD1-CE2 3.89Å; L158-F204 HydrophobicContact CD1-CZ 3.63Å; L158-F204 HydrophobicContact CD2-CD2 4.37Å; L158-F204 HydrophobicContact CD2-CE2 3.18Å; L158-F204 HydrophobicContact CD2-CZ 3.43Å; L158-F204 VanDerWaalsContact CD2-CZ 3.43Å; L158-F204 HydrophobicContact CG-CE2 3.99Å; L158-F204 HydrophobicContact CG-CZ 3.8Å; L162-F204 HydrophobicContact CD1-CZ 4.26Å; L162-F204 HydrophobicContact CD2-CE1 4.37Å; L162-F204 HydrophobicContact CD2-CZ 4.47Å; V181-F204 HydrophobicContact CB-CD2 4.21Å; V181-F204 HydrophobicContact CB-CG 4.39Å; V181-F204 HydrophobicContact CG1-CD2 4.15Å; V181-F204 HydrophobicContact CG1-CE2 4.22Å; V181-F204 HydrophobicContact CG2-CB 4.18Å; V181-F204 HydrophobicContact CG2-CD1 3.7Å; V181-F204 HydrophobicContact CG2-CD2 3.61Å; V181-F204 HydrophobicContact CG2-CE1 3.89Å; V181-F204 HydrophobicContact CG2-CE2 3.72Å; V181-F204 HydrophobicContact CG2-CG 3.57Å; V181-F204 HydrophobicContact CG2-CZ 3.89Å; V200-F204 HydrophobicContact CG1-CD2 3.95Å; V200-F204 PolarHBondContact O-N 3.21Å; F204-E206 PolarHBondContact O-N 2.87Å; F204-K207 HydrophobicContact CB-CB 4.24Å; F204-K207 VanDerWaalsContact O-CB 3.32Å; F204-K207 WeakPolarHBondContact O-CB 3.49Å; F204-K207 PolarHBondContact O-N 2.91Å; F204-V208 HydrophobicContact CB-CG2 3.43Å; F204-V208 VanDerWaalsContact CB-CG2 3.43Å; F204-V208 HydrophobicContact CG-CG2 4.46Å
205Q85.6Confident87.3Confident88 Ų8865.1 Ų65.141%0.41130%0.296SS..G310 helixtrans53.9-124.9174.1-56.3179.612.500111.5R201 K207 V208R201-Q205 WeakPolarHBondContact O-CA 3.49Å; R201-Q205 PolarHBondContact O-N 3.34Å; Q205-K207 PolarHBondContact O-N 3.02Å; Q205-K207 VanDerWaalsContact O-N 3.16Å; Q205-V208 PolarHBondContact O-N 3.43Å; Q205-V208 VanDerWaalsContact O-N 3.14Å
206E83Confident87.7Confident138 Ų13861.4 Ų61.465%0.64528%0.279SS*.G310 helixtrans-63.6-14.7-179.671.7-72.1166.400114.2F204 V208F204-E206 PolarHBondContact O-N 2.87Å; E206-V208 VanDerWaalsContact C-N 3.25Å; E206-V208 PolarHBondContact O-N 3.2Å
207K86.7Confident88.1Confident69 Ų6965.9 Ų65.930%0.331%0.307SS..G310 helixtrans-76.7-11.3175.3-63.2-66.2-171.3167.20112.8I178 G180 V181 F204 Q205I178-K207 PolarHBondContact O-NZ 2.74Å; G180-K207 CarbonylContact C-O 3.41Å; G180-K207 WeakPolarHBondContact CA-O 3.3Å; V181-K207 PolarHBondContact N-O 2.73Å; F204-K207 HydrophobicContact CB-CB 4.24Å; F204-K207 VanDerWaalsContact O-CB 3.32Å; F204-K207 WeakPolarHBondContact O-CB 3.49Å; F204-K207 PolarHBondContact O-N 2.91Å; Q205-K207 PolarHBondContact O-N 3.02Å; Q205-K207 VanDerWaalsContact O-N 3.16Å
208V89.2Confident88.4Confident5 Ų570.3 Ų70.33%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-83122.9175.5-172.10000109.5V181 L183 V200 R201 F204 Q205 E206 D210V181-V208 HydrophobicContact CB-CG2 4.34Å; V181-V208 WeakPolarHBondContact O-CA 3.27Å; L183-V208 HydrophobicContact CD1-CG1 3.8Å; L183-V208 HydrophobicContact CG-CG1 4.16Å; V200-V208 HydrophobicContact CG1-CG2 4.01Å; R201-V208 HydrophobicContact CG-CB 4.09Å; R201-V208 HydrophobicContact CG-CG1 3.89Å; R201-V208 HydrophobicContact CG-CG2 4.21Å; F204-V208 HydrophobicContact CB-CG2 3.43Å; F204-V208 VanDerWaalsContact CB-CG2 3.43Å; F204-V208 HydrophobicContact CG-CG2 4.46Å; Q205-V208 PolarHBondContact O-N 3.43Å; Q205-V208 VanDerWaalsContact O-N 3.14Å; E206-V208 VanDerWaalsContact C-N 3.25Å; E206-V208 PolarHBondContact O-N 3.2Å; V208-D210 PolarHBondContact O-N 3.44Å
209Y92.1Very high88.7Confident0 Ų065.1 Ų65.10%030%0.298CS..EExtended strand (participates in β ladder)trans-58.3140.3174.8-67.2-70.7000110.8L145 E179 V181 L182 R201 T211 L245 E248 V249 H252L145-Y209 HydrophobicContact CD1-CE2 3.87Å; L145-Y209 HydrophobicContact CG-CE2 3.97Å; E179-Y209 VanDerWaalsContact CG-OH 3.27Å; E179-Y209 WeakPolarHBondContact CG-OH 3.39Å; V181-Y209 PolarHBondContact O-N 2.94Å; L182-Y209 HydrophobicContact CB-CD2 4.02Å; L182-Y209 HydrophobicContact CD1-CD2 4.34Å; R201-Y209 PolarHBondContact NH2-O 3.49Å; Y209-T211 PolarHBondContact O-N 2.96Å; Y209-L245 HydrophobicContact CD1-CD1 3.99Å; Y209-L245 HydrophobicContact CD2-CD1 3.94Å; Y209-L245 HydrophobicContact CE1-CD1 4.24Å; Y209-L245 HydrophobicContact CE2-CD1 4.2Å; Y209-L245 HydrophobicContact CG-CD1 3.82Å; Y209-E248 WeakPolarHBondContact CA-OE1 3.43Å; Y209-E248 WeakPolarHBondContact CB-OE1 3.39Å; Y209-E248 HydrophobicContact CD1-CB 4.34Å; Y209-E248 VanDerWaalsContact CD1-CD 3.48Å; Y209-E248 HydrophobicContact CD1-CG 3.81Å; Y209-E248 WeakPolarHBondContact CD1-OE1 3.43Å; Y209-E248 HydrophobicContact CE1-CG 4.41Å; Y209-V249 HydrophobicContact CE1-CG2 3.96Å; Y209-H252 AromaticContact CD1-CE1 3.95Å; Y209-H252 AromaticContact CE1-CE1 3.85Å; Y209-H252 AromaticContact CE1-ND1 3.71Å
210D91Very high89Confident131 Ų13165.3 Ų65.370%0.70131%0.309SS*.EExtended strand (participates in β ladder)trans-61.9-36.3169.5-77.2-23.2000110.4R201 V208 I212 E248R201-D210 IonicContact NH1-OD1 3.69Å; V208-D210 PolarHBondContact O-N 3.44Å; D210-I212 PolarHBondContact O-N 2.92Å; D210-E248 PolarHBondContact N-OE1 2.97Å
211T93.2Very high89.3Confident17 Ų1768.4 Ų68.410%0.10432%0.324CS..EExtended strand (participates in β ladder)trans-66.4124.4174.8-55.30000111.8L182 Y209 I213 V241 A244 L245 E248L182-T211 WeakPolarHBondContact CD1-O 3.4Å; Y209-T211 PolarHBondContact O-N 2.96Å; T211-I213 HydrophobicContact CG2-CD1 4.12Å; T211-V241 HydrophobicContact CG2-CB 4.31Å; T211-V241 VanDerWaalsContact CG2-O 3.3Å; T211-V241 WeakPolarHBondContact CG2-O 3.49Å; T211-A244 HydrophobicContact CG2-CB 4.26Å; T211-L245 HydrophobicContact CG2-CB 4.02Å; T211-E248 VanDerWaalsContact CB-OE2 3.27Å; T211-E248 WeakPolarHBondContact CB-OE2 3.21Å; T211-E248 PolarHBondContact N-OE2 3.46Å; T211-E248 PolarHBondContact OG1-OE2 2.83Å
212I93.6Very high89.6Confident45 Ų4565.1 Ų65.123%0.23131%0.312CS..EExtended strand (participates in β ladder)trans-114.1129.7172.8-58.2-177.8000109.1L183 Y186 V197 D210 P214L183-I212 HydrophobicContact CB-CB 4.48Å; L183-I212 HydrophobicContact CB-CG1 4.15Å; L183-I212 HydrophobicContact CB-CG2 4.01Å; L183-I212 HydrophobicContact CD1-CD1 4.01Å; L183-I212 HydrophobicContact CD1-CG1 4.12Å; Y186-I212 VanDerWaalsContact CB-CG2 3.42Å; Y186-I212 HydrophobicContact CD1-CG2 4.11Å; Y186-I212 HydrophobicContact CG-CG2 3.8Å; V197-I212 HydrophobicContact CG1-CD1 4.26Å; V197-I212 HydrophobicContact CG2-CD1 4.39Å; D210-I212 PolarHBondContact O-N 2.92Å; I212-P214 VanDerWaalsContact O-CD 3.32Å; I212-P214 WeakPolarHBondContact O-CD 3.36Å
213I95.3Very high89.9Confident4 Ų462.1 Ų62.12%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-87.9111.5178.6-46.4-59.1000109.6L182 L183 T184 M185 Y186 T211 L219 V241 Y242L182-I213 HydrophobicContact CD1-CD1 4.24Å; L182-I213 HydrophobicContact CD1-CG1 3.93Å; L182-I213 HydrophobicContact CD2-CG1 3.91Å; L182-I213 HydrophobicContact CG-CG1 4.04Å; L183-I213 PolarHBondContact O-N 3.36Å; T184-I213 CarbonylContact C-O 3.49Å; T184-I213 HydrophobicContact CG2-CB 4.35Å; T184-I213 HydrophobicContact CG2-CG1 4.26Å; M185-I213 PolarHBondContact N-O 2.87Å; Y186-I213 PolarHBondContact N-O 3.03Å; T211-I213 HydrophobicContact CG2-CD1 4.12Å; I213-L219 HydrophobicContact CG2-CD2 3.94Å; I213-V241 HydrophobicContact CD1-CB 4.05Å; I213-V241 HydrophobicContact CD1-CG2 3.74Å; I213-V241 HydrophobicContact CG2-CG2 4.3Å; I213-Y242 HydrophobicContact CD1-CD1 4.38Å; I213-Y242 HydrophobicContact CD1-CE1 4.15Å; I213-Y242 HydrophobicContact CD1-CE2 4.35Å; I213-Y242 HydrophobicContact CG2-CE2 4.09Å
214P92.3Very high90.3Very high35 Ų3560 Ų6023%0.22731%0.314CS..EExtended strand (participates in β ladder)trans-75.5163.6178.933.2-35.5000111.2Y186 I212 N216 K237Y186-P214 WeakPolarHBondContact O-CA 3.44Å; I212-P214 VanDerWaalsContact O-CD 3.32Å; I212-P214 WeakPolarHBondContact O-CD 3.36Å; P214-N216 PolarHBondContact O-N 3.17Å; P214-K237 HydrophobicContact CG-CG 4.35Å
215R90.2Very high91Very high126 Ų12664.1 Ų64.148%0.47533%0.333SS..  trans-60.1122.7163.9-67-167.9-175.8-1002109.7E151 M185 Y186E151-R215 IonicContact OE1-CZ 3.88Å; E151-R215 IonicContact OE1-NH2 3.38Å; E151-R215 PolarHBondContact OE1-NH2 3.38Å; M185-R215 HydrophobicContact CB-CG 4.01Å; M185-R215 WeakPolarHBondContact O-CG 3.07Å; M185-R215 PolarHBondContact O-NE 3.3Å; Y186-R215 PolarHBondContact O-N 2.7Å; Y186-R215 VanDerWaalsContact O-N 3.1Å
216N90.9Very high91.4Very high34 Ų3460.5 Ų60.518%0.18232%0.32CS..  trans-140122.1-176.7-174.6-77.5000111P214 R218 L219 S220P214-N216 PolarHBondContact O-N 3.17Å; N216-R218 WeakPolarHBondContact OD1-CA 3.48Å; N216-R218 WeakPolarHBondContact OD1-CB 3.29Å; N216-R218 PolarHBondContact OD1-N 3.48Å; N216-L219 HydrophobicContact CB-CB 3.96Å; N216-L219 WeakPolarHBondContact O-CB 3.01Å; N216-L219 PolarHBondContact O-N 3.35Å; N216-L219 PolarHBondContact OD1-N 3.1Å; N216-S220 PolarHBondContact O-N 3.48Å
217V92.3Very high91.9Very high103 Ų10358.7 Ų58.762%0.62431%0.31SS*.Hα-helixtrans-63.6-43.2-177.1178.60000111.8L219 S220 E221V217-L219 VanDerWaalsContact C-N 3.26Å; V217-L219 PolarHBondContact O-N 2.96Å; V217-S220 WeakPolarHBondContact O-CB 3.34Å; V217-S220 PolarHBondContact O-N 2.78Å; V217-E221 HydrophobicContact CG1-CG 4.34Å; V217-E221 WeakPolarHBondContact O-CG 3.49Å; V217-E221 PolarHBondContact O-N 2.63Å
218R94.3Very high92.4Very high109 Ų10955.6 Ų55.641%0.41130%0.297SS..Hα-helixtrans-61.1-37.4179.3-62.3-58.2-159.4-170.9-0.8112.1N216 S220 E221 A222 I229 D233N216-R218 WeakPolarHBondContact OD1-CA 3.48Å; N216-R218 WeakPolarHBondContact OD1-CB 3.29Å; N216-R218 PolarHBondContact OD1-N 3.48Å; R218-S220 VanDerWaalsContact C-N 3.29Å; R218-S220 PolarHBondContact O-N 3.01Å; R218-E221 VanDerWaalsContact CD-OE2 3.24Å; R218-E221 WeakPolarHBondContact CD-OE2 3.32Å; R218-E221 IonicContact CZ-OE2 2.89Å; R218-E221 IonicContact NE-OE2 3.71Å; R218-E221 IonicContact NH1-OE2 2.76Å; R218-E221 PolarHBondContact NH1-OE2 2.75Å; R218-E221 PolarHBondContact O-N 3.13Å; R218-A222 PolarHBondContact O-N 3.33Å; R218-I229 HydrophobicContact CB-CD1 3.87Å; R218-D233 IonicContact NE-OD2 3.47Å; R218-D233 PolarHBondContact NE-OD2 2.83Å
219L92.4Very high92.8Very high15 Ų1555.3 Ų55.38%0.07930%0.295CS..Hα-helixtrans-64.1-35176.2-169.868000112.1T18 I213 N216 V217 P223 I229 Y242T18-L219 HydrophobicContact CG2-CD1 3.83Å; T18-L219 HydrophobicContact CG2-CD2 3.76Å; T18-L219 HydrophobicContact CG2-CG 3.64Å; I213-L219 HydrophobicContact CG2-CD2 3.94Å; N216-L219 HydrophobicContact CB-CB 3.96Å; N216-L219 WeakPolarHBondContact O-CB 3.01Å; N216-L219 PolarHBondContact O-N 3.35Å; N216-L219 PolarHBondContact OD1-N 3.1Å; V217-L219 VanDerWaalsContact C-N 3.26Å; V217-L219 PolarHBondContact O-N 2.96Å; L219-P223 WeakPolarHBondContact O-CD 3.43Å; L219-I229 HydrophobicContact CD1-CB 3.83Å; L219-I229 HydrophobicContact CD1-CG1 4.04Å; L219-I229 HydrophobicContact CD1-CG2 4.1Å; L219-Y242 HydrophobicContact CD1-CD2 3.94Å; L219-Y242 HydrophobicContact CD1-CE2 3.56Å; L219-Y242 HydrophobicContact CD2-CE2 3.69Å; L219-Y242 HydrophobicContact CG-CE2 4.25Å
220S90.3Very high93Very high99 Ų9955.7 Ų55.769%0.69230%0.297SS*.Hα-helixtrans-75.1-28.3173.7-58.60000113.4N216 V217 R218N216-S220 PolarHBondContact O-N 3.48Å; V217-S220 WeakPolarHBondContact O-CB 3.34Å; V217-S220 PolarHBondContact O-N 2.78Å; R218-S220 VanDerWaalsContact C-N 3.29Å; R218-S220 PolarHBondContact O-N 3.01Å
221E92.4Very high93.2Very high66 Ų6652 Ų5231%0.30828%0.277SS..Hα-helixtrans-77.6-37.2177.4-70.6173.7165.600112.5V217 R218 P223 S224 Y232V217-E221 HydrophobicContact CG1-CG 4.34Å; V217-E221 WeakPolarHBondContact O-CG 3.49Å; V217-E221 PolarHBondContact O-N 2.63Å; R218-E221 VanDerWaalsContact CD-OE2 3.24Å; R218-E221 WeakPolarHBondContact CD-OE2 3.32Å; R218-E221 IonicContact CZ-OE2 2.89Å; R218-E221 IonicContact NE-OE2 3.71Å; R218-E221 IonicContact NH1-OE2 2.76Å; R218-E221 PolarHBondContact NH1-OE2 2.75Å; R218-E221 PolarHBondContact O-N 3.13Å; E221-P223 VanDerWaalsContact C-CD 3.47Å; E221-S224 WeakPolarHBondContact O-CB 3.32Å; E221-S224 PolarHBondContact O-N 2.81Å; E221-S224 PolarHBondContact O-OG 2.9Å; E221-Y232 HydrophobicContact CB-CE1 3.91Å; E221-Y232 PolarHBondContact OE2-OH 3.21Å
222A92.9Very high93.3Very high1 Ų154 Ų541%0.00828%0.283CS..G310 helixtrans-51.4-43.8-172.200000115.1R218 S224 H225 G226 K227 I229 Y232R218-A222 PolarHBondContact O-N 3.33Å; A222-S224 VanDerWaalsContact C-N 3.25Å; A222-S224 PolarHBondContact O-N 3.41Å; A222-H225 PolarHBondContact O-N 3.23Å; A222-G226 PolarHBondContact O-N 3.39Å; A222-K227 CarbonylContact C-O 3.52Å; A222-K227 WeakPolarHBondContact CB-O 3.05Å; A222-K227 PolarHBondContact O-N 3.05Å; A222-I229 HydrophobicContact CB-CD1 4.16Å; A222-Y232 HydrophobicContact CB-CD1 3.8Å; A222-Y232 HydrophobicContact CB-CG 3.99Å
223P88.4Confident93.4Very high61 Ų6153.6 Ų53.640%0.39628%0.282SS..G310 helixtrans-59.7-32177.8-24.734.9000114L219 E221 H225 G226L219-P223 WeakPolarHBondContact O-CD 3.43Å; E221-P223 VanDerWaalsContact C-CD 3.47Å; P223-H225 PolarHBondContact O-N 2.85Å; P223-G226 PolarHBondContact O-N 2.88Å
224S90.7Very high93.3Very high96 Ų9657.1 Ų57.167%0.67131%0.305SS*.G310 helixtrans-67.6-19.3178.373.70000113.1E221 A222E221-S224 WeakPolarHBondContact O-CB 3.32Å; E221-S224 PolarHBondContact O-N 2.81Å; E221-S224 PolarHBondContact O-OG 2.9Å; A222-S224 VanDerWaalsContact C-N 3.25Å; A222-S224 PolarHBondContact O-N 3.41Å
225H93.5Very high93.4Very high104 Ų10466.8 Ų66.848%0.48134%0.337SS..G310 helixtrans-96.71.7174.3-68-85.9000113A222 P223 K227 Y232A222-H225 PolarHBondContact O-N 3.23Å; P223-H225 PolarHBondContact O-N 2.85Å; H225-K227 VanDerWaalsContact C-N 3.26Å; H225-K227 PolarHBondContact O-N 2.66Å; H225-Y232 HydrophobicContact CB-CD2 3.93Å; H225-Y232 HydrophobicContact CB-CE2 4.11Å; H225-Y232 AromaticContact CD2-CD2 3.78Å; H225-Y232 AromaticContact CD2-CE2 3.09Å; H225-Y232 WeakPolarHBondContact CD2-CE2 3.09Å; H225-Y232 AromaticContact CD2-CZ 3.56Å; H225-Y232 AromaticContact CE1-CE2 3.9Å; H225-Y232 AromaticContact CG-CD2 3.82Å; H225-Y232 AromaticContact CG-CE2 3.47Å; H225-Y232 VanDerWaalsContact CG-CE2 3.47Å; H225-Y232 AromaticContact ND1-CE2 3.95Å; H225-Y232 AromaticContact NE2-CE2 3.37Å; H225-Y232 WeakPolarHBondContact NE2-CE2 3.49Å; H225-Y232 AromaticContact NE2-CZ 3.67Å; H225-Y232 PolarHBondContact NE2-OH 2.99Å
226G94.4Very high93.6Very high13 Ų1361.2 Ų61.213%0.13432%0.318CS..THydrogen-bonded Turntrans61.134.5-178.100000113.1S47 G48 L49 G50 A222 P223S47-G226 WeakPolarHBondContact O-CA 3.22Å; G48-G226 CarbonylContact O-C 3.53Å; L49-G226 CarbonylContact C-O 3.55Å; G50-G226 WeakPolarHBondContact CA-O 2.86Å; G50-G226 PolarHBondContact N-O 2.95Å; G50-G226 VanDerWaalsContact N-O 3.13Å; A222-G226 PolarHBondContact O-N 3.39Å; P223-G226 PolarHBondContact O-N 2.88Å
227K94.7Very high93.7Very high100 Ų10064.3 Ų64.344%0.43533%0.329SS..SBendtrans-134.4140.8-177-70.6-177-173.1-169.70111.1G48 A222 H225 D231G48-K227 CarbonylContact O-C 3.13Å; G48-K227 PolarHBondContact O-N 3.2Å; G48-K227 VanDerWaalsContact O-N 3.15Å; A222-K227 CarbonylContact C-O 3.52Å; A222-K227 WeakPolarHBondContact CB-O 3.05Å; A222-K227 PolarHBondContact O-N 3.05Å; H225-K227 VanDerWaalsContact C-N 3.26Å; H225-K227 PolarHBondContact O-N 2.66Å; K227-D231 HydrophobicContact CB-CB 4.06Å; K227-D231 HydrophobicContact CD-CB 4.31Å; K227-D231 HydrophobicContact CG-CB 4.4Å
228P96.6Very high93.8Very high3 Ų359.4 Ų59.42%0.01930%0.3CS..  trans-55.9156.2161.2-22.532.7000111.9V21 A25 L49 I230 D231 Y232V21-P228 HydrophobicContact CG1-CB 4.3Å; V21-P228 HydrophobicContact CG1-CG 4.14Å; A25-P228 HydrophobicContact CB-CB 3.43Å; A25-P228 VanDerWaalsContact CB-CB 3.43Å; A25-P228 HydrophobicContact CB-CG 3.49Å; A25-P228 VanDerWaalsContact CB-CG 3.49Å; L49-P228 HydrophobicContact CD2-CG 3.69Å; P228-I230 HydrophobicContact CB-CG1 4.05Å; P228-I230 PolarHBondContact O-N 2.8Å; P228-D231 WeakPolarHBondContact CD-OD2 3.33Å; P228-D231 PolarHBondContact O-N 3.05Å; P228-Y232 PolarHBondContact O-N 3.11Å
229I96.8Very high93.9Very high0 Ų054.2 Ų54.20%028%0.28CS..Hα-helixtrans-59.4-34.4-178-168.954000112.7N22 R218 L219 A222 D231 Y232 D233 S236 A239 Y242N22-I229 HydrophobicContact CB-CG2 4.26Å; N22-I229 WeakPolarHBondContact OD1-CB 2.97Å; N22-I229 WeakPolarHBondContact OD1-CG2 2.96Å; N22-I229 PolarHBondContact OD1-N 3.37Å; R218-I229 HydrophobicContact CB-CD1 3.87Å; L219-I229 HydrophobicContact CD1-CB 3.83Å; L219-I229 HydrophobicContact CD1-CG1 4.04Å; L219-I229 HydrophobicContact CD1-CG2 4.1Å; A222-I229 HydrophobicContact CB-CD1 4.16Å; I229-D231 PolarHBondContact O-N 2.8Å; I229-Y232 HydrophobicContact CD1-CD1 4.24Å; I229-Y232 PolarHBondContact O-N 3.1Å; I229-D233 HydrophobicContact CD1-CB 4.47Å; I229-D233 CarbonylContact O-C 3.41Å; I229-D233 PolarHBondContact O-N 3.04Å; I229-S236 WeakPolarHBondContact CD1-OG 3.32Å; I229-S236 VanDerWaalsContact CG1-OG 3.32Å; I229-S236 WeakPolarHBondContact CG1-OG 3.45Å; I229-A239 HydrophobicContact CG1-CB 4.26Å; I229-A239 HydrophobicContact CG2-CB 4.23Å; I229-Y242 HydrophobicContact CG2-CD2 4.3Å
230I96.5Very high94.1Very high7 Ų758.6 Ų58.64%0.03630%0.3CS..Hα-helixtrans-71.1-17.9177.658.3173.1000113.2A25 Q29 P228 P234 A239 Q243A25-I230 HydrophobicContact CB-CD1 3.64Å; A25-I230 HydrophobicContact CB-CG1 4.07Å; A25-I230 VanDerWaalsContact O-CD1 3.27Å; A25-I230 WeakPolarHBondContact O-CD1 3.48Å; Q29-I230 HydrophobicContact CB-CD1 4.4Å; P228-I230 HydrophobicContact CB-CG1 4.05Å; P228-I230 PolarHBondContact O-N 2.8Å; I230-P234 WeakPolarHBondContact O-CB 3.23Å; I230-P234 VanDerWaalsContact O-CG 3.25Å; I230-P234 WeakPolarHBondContact O-CG 3.41Å; I230-A239 HydrophobicContact CG2-CB 3.92Å; I230-Q243 HydrophobicContact CG2-CG 4.23Å
231D95.5Very high94.4Very high54 Ų5454.5 Ų54.529%0.28927%0.271SS..Hα-helixtrans-97.5-29.2173.5-71.6-47.6000112.2R79 K227 P228 I229R79-D231 IonicContact CZ-OD1 3.45Å; R79-D231 IonicContact CZ-OD2 3.45Å; R79-D231 IonicContact NE-OD1 2.75Å; R79-D231 PolarHBondContact NE-OD1 2.89Å; R79-D231 IonicContact NE-OD2 3.44Å; R79-D231 PolarHBondContact NE-OD2 2.79Å; R79-D231 VanDerWaalsContact NH2-CG 3.28Å; R79-D231 IonicContact NH2-OD1 3.66Å; R79-D231 PolarHBondContact NH2-OD1 2.79Å; R79-D231 IonicContact NH2-OD2 2.71Å; R79-D231 PolarHBondContact NH2-OD2 3.19Å; K227-D231 HydrophobicContact CB-CB 4.06Å; K227-D231 HydrophobicContact CD-CB 4.31Å; K227-D231 HydrophobicContact CG-CB 4.4Å; P228-D231 WeakPolarHBondContact CD-OD2 3.33Å; P228-D231 PolarHBondContact O-N 3.05Å; I229-D231 PolarHBondContact O-N 2.8Å
232Y95.7Very high94.6Very high59 Ų5951.4 Ų51.423%0.23126%0.256CS..Hα-helixtrans-80.4-55.3179.6178.1-114.3000112.3E221 A222 H225 P228 I229E221-Y232 HydrophobicContact CB-CE1 3.91Å; E221-Y232 PolarHBondContact OE2-OH 3.21Å; A222-Y232 HydrophobicContact CB-CD1 3.8Å; A222-Y232 HydrophobicContact CB-CG 3.99Å; H225-Y232 HydrophobicContact CB-CD2 3.93Å; H225-Y232 HydrophobicContact CB-CE2 4.11Å; H225-Y232 AromaticContact CD2-CD2 3.78Å; H225-Y232 AromaticContact CD2-CE2 3.09Å; H225-Y232 WeakPolarHBondContact CD2-CE2 3.09Å; H225-Y232 AromaticContact CD2-CZ 3.56Å; H225-Y232 AromaticContact CE1-CE2 3.9Å; H225-Y232 AromaticContact CG-CD2 3.82Å; H225-Y232 AromaticContact CG-CE2 3.47Å; H225-Y232 VanDerWaalsContact CG-CE2 3.47Å; H225-Y232 AromaticContact ND1-CE2 3.95Å; H225-Y232 AromaticContact NE2-CE2 3.37Å; H225-Y232 WeakPolarHBondContact NE2-CE2 3.49Å; H225-Y232 AromaticContact NE2-CZ 3.67Å; H225-Y232 PolarHBondContact NE2-OH 2.99Å; P228-Y232 PolarHBondContact O-N 3.11Å; I229-Y232 HydrophobicContact CD1-CD1 4.24Å; I229-Y232 PolarHBondContact O-N 3.1Å
233D95.3Very high94.8Very high36 Ų3654.1 Ų54.119%0.19327%0.269CS..  trans-14381.8178.2-170.9-1.9000110.2R218 I229 R235 S236R218-D233 IonicContact NE-OD2 3.47Å; R218-D233 PolarHBondContact NE-OD2 2.83Å; I229-D233 HydrophobicContact CD1-CB 4.47Å; I229-D233 CarbonylContact O-C 3.41Å; I229-D233 PolarHBondContact O-N 3.04Å; D233-R235 PolarHBondContact O-N 3.1Å; D233-R235 PolarHBondContact OD1-N 3.17Å; D233-S236 VanDerWaalsContact O-CB 3.28Å; D233-S236 WeakPolarHBondContact O-CB 3.15Å; D233-S236 PolarHBondContact O-N 3.06Å; D233-S236 PolarHBondContact O-OG 3.45Å; D233-S236 PolarHBondContact OD1-N 3.19Å
234P94Very high95.2Very high79 Ų7953.2 Ų53.251%0.51327%0.267SS..THydrogen-bonded Turntrans-60.5-17.2-177.1-9.313000114.3I230I230-P234 WeakPolarHBondContact O-CB 3.23Å; I230-P234 VanDerWaalsContact O-CG 3.25Å; I230-P234 WeakPolarHBondContact O-CG 3.41Å
235R93.6Very high95.5Very high237 Ų23748.7 Ų48.789%0.89424%0.235SC*.THydrogen-bonded Turntrans-96.7-1.2179.7-67.1-175.9-73.8178.9-4.9112.9D233D233-R235 PolarHBondContact O-N 3.1Å; D233-R235 PolarHBondContact OD1-N 3.17Å
236S94.5Very high95.6Very high10 Ų1043.7 Ų43.77%0.0721%0.212CC..SBendtrans-71.2153.417968.70000111.8I229 D233 G238 A239 E240I229-S236 WeakPolarHBondContact CD1-OG 3.32Å; I229-S236 VanDerWaalsContact CG1-OG 3.32Å; I229-S236 WeakPolarHBondContact CG1-OG 3.45Å; D233-S236 VanDerWaalsContact O-CB 3.28Å; D233-S236 WeakPolarHBondContact O-CB 3.15Å; D233-S236 PolarHBondContact O-N 3.06Å; D233-S236 PolarHBondContact O-OG 3.45Å; D233-S236 PolarHBondContact OD1-N 3.19Å; S236-G238 PolarHBondContact O-N 2.87Å; S236-A239 PolarHBondContact O-N 2.87Å; S236-A239 VanDerWaalsContact O-N 3.11Å; S236-A239 PolarHBondContact OG-N 2.68Å; S236-A239 VanDerWaalsContact OG-N 3.17Å; S236-E240 PolarHBondContact O-N 3.17Å
237K93.2Very high95.6Very high99 Ų9949.1 Ų49.143%0.4323%0.232SC..Hα-helixtrans-58.5-30.6171.7-172.458.3175.8-177.80112.2P214 E240 V241P214-K237 HydrophobicContact CG-CG 4.35Å; K237-E240 HydrophobicContact CD-CB 4.49Å; K237-E240 WeakPolarHBondContact CD-OE2 3.32Å; K237-E240 IonicContact NZ-OE1 3.36Å; K237-E240 PolarHBondContact NZ-OE1 3.45Å; K237-E240 IonicContact NZ-OE2 2.85Å; K237-E240 PolarHBondContact NZ-OE2 2.95Å; K237-E240 PolarHBondContact O-N 3.07Å; K237-V241 HydrophobicContact CD-CG1 4.4Å; K237-V241 WeakPolarHBondContact O-CG1 3.37Å; K237-V241 WeakPolarHBondContact O-CG2 3.45Å; K237-V241 PolarHBondContact O-N 3.49Å; K237-V241 VanDerWaalsContact O-N 3.1Å
238G93.8Very high95.5Very high0 Ų045.6 Ų45.60%022%0.217CC..Hα-helixtrans-62.5-43.617500000112.8S236 V241 Y242S236-G238 PolarHBondContact O-N 2.87Å; G238-V241 VanDerWaalsContact O-CG2 3.27Å; G238-V241 WeakPolarHBondContact O-CG2 3.47Å; G238-Y242 WeakPolarHBondContact O-CD2 3.42Å; G238-Y242 PolarHBondContact O-N 3.4Å
239A96.1Very high95.3Very high0 Ų045.5 Ų45.50%022%0.216CC..Hα-helixtrans-62.7-46.2174.600000112I229 I230 S236 V241 Y242 Q243I229-A239 HydrophobicContact CG1-CB 4.26Å; I229-A239 HydrophobicContact CG2-CB 4.23Å; I230-A239 HydrophobicContact CG2-CB 3.92Å; S236-A239 PolarHBondContact O-N 2.87Å; S236-A239 VanDerWaalsContact O-N 3.11Å; S236-A239 PolarHBondContact OG-N 2.68Å; S236-A239 VanDerWaalsContact OG-N 3.17Å; A239-V241 PolarHBondContact O-N 3.33Å; A239-Y242 PolarHBondContact O-N 2.99Å; A239-Q243 WeakPolarHBondContact O-CB 3.43Å; A239-Q243 WeakPolarHBondContact O-CG 3.15Å; A239-Q243 PolarHBondContact O-N 3.3Å
240E96.5Very high95Very high106 Ų10647.3 Ų47.350%0.49523%0.226SC..Hα-helixtrans-57.4-47.1178.8-170.6-162.2141.800112.3S236 K237 Q243 A244S236-E240 PolarHBondContact O-N 3.17Å; K237-E240 HydrophobicContact CD-CB 4.49Å; K237-E240 WeakPolarHBondContact CD-OE2 3.32Å; K237-E240 IonicContact NZ-OE1 3.36Å; K237-E240 PolarHBondContact NZ-OE1 3.45Å; K237-E240 IonicContact NZ-OE2 2.85Å; K237-E240 PolarHBondContact NZ-OE2 2.95Å; K237-E240 PolarHBondContact O-N 3.07Å; E240-Q243 PolarHBondContact O-N 2.78Å; E240-A244 PolarHBondContact O-N 2.86Å
241V96.7Very high94.3Very high13 Ų1350.2 Ų50.28%0.07924%0.244CC..Hα-helixtrans-71.3-35-178-62.30000112.9T211 I213 K237 G238 A239 A244 L245T211-V241 HydrophobicContact CG2-CB 4.31Å; T211-V241 VanDerWaalsContact CG2-O 3.3Å; T211-V241 WeakPolarHBondContact CG2-O 3.49Å; I213-V241 HydrophobicContact CD1-CB 4.05Å; I213-V241 HydrophobicContact CD1-CG2 3.74Å; I213-V241 HydrophobicContact CG2-CG2 4.3Å; K237-V241 HydrophobicContact CD-CG1 4.4Å; K237-V241 WeakPolarHBondContact O-CG1 3.37Å; K237-V241 WeakPolarHBondContact O-CG2 3.45Å; K237-V241 PolarHBondContact O-N 3.49Å; K237-V241 VanDerWaalsContact O-N 3.1Å; G238-V241 VanDerWaalsContact O-CG2 3.27Å; G238-V241 WeakPolarHBondContact O-CG2 3.47Å; A239-V241 PolarHBondContact O-N 3.33Å; V241-A244 WeakPolarHBondContact O-CB 3.36Å; V241-A244 PolarHBondContact O-N 3.37Å; V241-L245 PolarHBondContact O-N 3.43Å
242Y97.6Very high93Very high2 Ų249.6 Ų49.61%0.00824%0.239CC..Hα-helixtrans-72.8-31175.7-86.1-68.6000112.5T18 T19 N22 I213 L219 I229 G238 A239 L245 A246T18-Y242 HydrophobicContact CG2-CE2 4.36Å; T19-Y242 HydrophobicContact CG2-CE1 4.23Å; T19-Y242 PolarHBondContact N-OH 3.01Å; T19-Y242 PolarHBondContact OG1-OH 2.92Å; N22-Y242 HydrophobicContact CB-CD1 3.7Å; N22-Y242 HydrophobicContact CB-CD2 3.62Å; N22-Y242 HydrophobicContact CB-CE1 4Å; N22-Y242 HydrophobicContact CB-CE2 3.9Å; N22-Y242 HydrophobicContact CB-CG 3.51Å; I213-Y242 HydrophobicContact CD1-CD1 4.38Å; I213-Y242 HydrophobicContact CD1-CE1 4.15Å; I213-Y242 HydrophobicContact CD1-CE2 4.35Å; I213-Y242 HydrophobicContact CG2-CE2 4.09Å; L219-Y242 HydrophobicContact CD1-CD2 3.94Å; L219-Y242 HydrophobicContact CD1-CE2 3.56Å; L219-Y242 HydrophobicContact CD2-CE2 3.69Å; L219-Y242 HydrophobicContact CG-CE2 4.25Å; I229-Y242 HydrophobicContact CG2-CD2 4.3Å; G238-Y242 WeakPolarHBondContact O-CD2 3.42Å; G238-Y242 PolarHBondContact O-N 3.4Å; A239-Y242 PolarHBondContact O-N 2.99Å; Y242-L245 HydrophobicContact CD1-CD2 3.98Å; Y242-L245 HydrophobicContact CE1-CD2 4.04Å; Y242-L245 PolarHBondContact O-N 3.38Å; Y242-A246 WeakPolarHBondContact O-CB 3.38Å; Y242-A246 PolarHBondContact O-N 3.42Å
243Q96.9Very high91.3Very high57 Ų5747.3 Ų47.327%0.26623%0.231SC..Hα-helixtrans-65.5-39169.1-74.4175-19.400111.6I230 A239 E240 A246 K247I230-Q243 HydrophobicContact CG2-CG 4.23Å; A239-Q243 WeakPolarHBondContact O-CB 3.43Å; A239-Q243 WeakPolarHBondContact O-CG 3.15Å; A239-Q243 PolarHBondContact O-N 3.3Å; E240-Q243 PolarHBondContact O-N 2.78Å; Q243-A246 PolarHBondContact O-N 3.48Å; Q243-K247 WeakPolarHBondContact O-CG 3.37Å; Q243-K247 PolarHBondContact O-N 3.37Å; Q243-K247 VanDerWaalsContact O-N 3.17Å
244A96.6Very high88.8Confident43 Ų4347.6 Ų47.636%0.35524%0.235SC..Hα-helixtrans-63.1-46.1173.400000111.6T211 E240 V241 A246 K247 E248T211-A244 HydrophobicContact CG2-CB 4.26Å; E240-A244 PolarHBondContact O-N 2.86Å; V241-A244 WeakPolarHBondContact O-CB 3.36Å; V241-A244 PolarHBondContact O-N 3.37Å; A244-A246 PolarHBondContact O-N 3.17Å; A244-K247 WeakPolarHBondContact O-CB 3.04Å; A244-K247 PolarHBondContact O-N 3.47Å; A244-E248 PolarHBondContact O-N 2.93Å
245L96.9Very high86.1Confident0 Ų049.6 Ų49.60%024%0.238CC..Hα-helixtrans-59.1-44.1175.8179.362000112.1T19 L23 L182 Y209 T211 V241 Y242 K247 E248 V249T19-L245 HydrophobicContact CG2-CD2 4.29Å; L23-L245 HydrophobicContact CD1-CD2 4.45Å; L23-L245 HydrophobicContact CD1-CG 4.26Å; L182-L245 HydrophobicContact CD1-CD1 3.79Å; L182-L245 HydrophobicContact CD1-CD2 3.95Å; L182-L245 HydrophobicContact CD1-CG 4.43Å; L182-L245 HydrophobicContact CD2-CD2 3.53Å; L182-L245 HydrophobicContact CG-CD2 4.36Å; Y209-L245 HydrophobicContact CD1-CD1 3.99Å; Y209-L245 HydrophobicContact CD2-CD1 3.94Å; Y209-L245 HydrophobicContact CE1-CD1 4.24Å; Y209-L245 HydrophobicContact CE2-CD1 4.2Å; Y209-L245 HydrophobicContact CG-CD1 3.82Å; T211-L245 HydrophobicContact CG2-CB 4.02Å; V241-L245 PolarHBondContact O-N 3.43Å; Y242-L245 HydrophobicContact CD1-CD2 3.98Å; Y242-L245 HydrophobicContact CE1-CD2 4.04Å; Y242-L245 PolarHBondContact O-N 3.38Å; L245-K247 VanDerWaalsContact C-N 3.31Å; L245-K247 PolarHBondContact O-N 3.44Å; L245-E248 WeakPolarHBondContact O-CB 2.97Å; L245-E248 PolarHBondContact O-N 2.89Å; L245-E248 VanDerWaalsContact O-N 3.16Å; L245-V249 HydrophobicContact CD1-CG2 4.23Å; L245-V249 HydrophobicContact CG-CG2 4.37Å; L245-V249 VanDerWaalsContact O-CG2 3.3Å; L245-V249 WeakPolarHBondContact O-CG2 3.46Å; L245-V249 PolarHBondContact O-N 3.16Å
246A96.6Very high83.5Confident0 Ų042.2 Ų42.20%022%0.215CC..Hα-helixtrans-61.6-40.1179.200000112L23 C26 L27 Y242 Q243 A244 V249 L250L23-A246 HydrophobicContact CD1-CB 3.96Å; C26-A246 HydrophobicContact CB-CB 3.46Å; C26-A246 VanDerWaalsContact CB-CB 3.46Å; L27-A246 HydrophobicContact CD2-CB 4.27Å; L27-A246 HydrophobicContact CG-CB 4.42Å; Y242-A246 WeakPolarHBondContact O-CB 3.38Å; Y242-A246 PolarHBondContact O-N 3.42Å; Q243-A246 PolarHBondContact O-N 3.48Å; A244-A246 PolarHBondContact O-N 3.17Å; A246-V249 PolarHBondContact O-N 3.42Å; A246-L250 WeakPolarHBondContact O-CB 3.48Å; A246-L250 VanDerWaalsContact O-CG 3.27Å; A246-L250 WeakPolarHBondContact O-CG 3.29Å; A246-L250 PolarHBondContact O-N 2.89Å
247K94.1Very high80.4Confident127 Ų12748.4 Ų48.455%0.55224%0.243SC*.Hα-helixtrans-63.5-42.4173-69.8175.3-176.8-178.70111.8Q243 A244 L245 L250 V251Q243-K247 WeakPolarHBondContact O-CG 3.37Å; Q243-K247 PolarHBondContact O-N 3.37Å; Q243-K247 VanDerWaalsContact O-N 3.17Å; A244-K247 WeakPolarHBondContact O-CB 3.04Å; A244-K247 PolarHBondContact O-N 3.47Å; L245-K247 VanDerWaalsContact C-N 3.31Å; L245-K247 PolarHBondContact O-N 3.44Å; K247-L250 PolarHBondContact O-N 2.75Å; K247-V251 VanDerWaalsContact O-CG2 3.29Å; K247-V251 WeakPolarHBondContact O-CG2 3.35Å; K247-V251 PolarHBondContact O-N 2.92Å
248E93Very high77.3Confident25 Ų2549 Ų4912%0.11725%0.247CC..Hα-helixtrans-62.4-43.3178.3-159.5175.4162.800111.8Y209 D210 T211 A244 L245 V251 H252Y209-E248 WeakPolarHBondContact CA-OE1 3.43Å; Y209-E248 WeakPolarHBondContact CB-OE1 3.39Å; Y209-E248 HydrophobicContact CD1-CB 4.34Å; Y209-E248 VanDerWaalsContact CD1-CD 3.48Å; Y209-E248 HydrophobicContact CD1-CG 3.81Å; Y209-E248 WeakPolarHBondContact CD1-OE1 3.43Å; Y209-E248 HydrophobicContact CE1-CG 4.41Å; D210-E248 PolarHBondContact N-OE1 2.97Å; T211-E248 VanDerWaalsContact CB-OE2 3.27Å; T211-E248 WeakPolarHBondContact CB-OE2 3.21Å; T211-E248 PolarHBondContact N-OE2 3.46Å; T211-E248 PolarHBondContact OG1-OE2 2.83Å; A244-E248 PolarHBondContact O-N 2.93Å; L245-E248 WeakPolarHBondContact O-CB 2.97Å; L245-E248 PolarHBondContact O-N 2.89Å; L245-E248 VanDerWaalsContact O-N 3.16Å; E248-V251 PolarHBondContact O-N 2.86Å; E248-H252 PolarHBondContact O-N 3.26Å
249V92.4Very high74.2Confident1 Ų152.2 Ų52.21%0.00627%0.267CS..Hα-helixtrans-61.9-43173.4171.80000111.4I5 L23 F121 Y209 L245 A246 V251 L253I5-V249 HydrophobicContact CD1-CG1 4.46Å; L23-V249 HydrophobicContact CD1-CB 4.49Å; L23-V249 HydrophobicContact CD1-CG2 4.09Å; L23-V249 HydrophobicContact CD2-CG2 4.32Å; F121-V249 HydrophobicContact CE1-CG1 4.21Å; Y209-V249 HydrophobicContact CE1-CG2 3.96Å; L245-V249 HydrophobicContact CD1-CG2 4.23Å; L245-V249 HydrophobicContact CG-CG2 4.37Å; L245-V249 VanDerWaalsContact O-CG2 3.3Å; L245-V249 WeakPolarHBondContact O-CG2 3.46Å; L245-V249 PolarHBondContact O-N 3.16Å; A246-V249 PolarHBondContact O-N 3.42Å; V249-V251 VanDerWaalsContact C-N 3.33Å; V249-V251 PolarHBondContact O-N 2.66Å; V249-L253 HydrophobicContact CG1-CD1 4.3Å; V249-L253 WeakPolarHBondContact O-CG 3.27Å; V249-L253 PolarHBondContact O-N 3.48Å; V249-L253 VanDerWaalsContact O-N 3.14Å
250L90.1Very high71Confident39 Ų3956.9 Ų56.920%0.20429%0.292CS..Hα-helixtrans-64.8-36.9175.7-73170.3000112.3L27 D30 K32 F121 A246 K247 L253 S254L27-L250 HydrophobicContact CD2-CD1 4.16Å; L27-L250 HydrophobicContact CD2-CD2 3.89Å; L27-L250 HydrophobicContact CD2-CG 3.74Å; D30-L250 HydrophobicContact CB-CD1 4.14Å; K32-L250 HydrophobicContact CD-CD2 4.39Å; K32-L250 HydrophobicContact CG-CD2 4.11Å; F121-L250 HydrophobicContact CE2-CD2 4.03Å; F121-L250 HydrophobicContact CZ-CD2 3.89Å; A246-L250 WeakPolarHBondContact O-CB 3.48Å; A246-L250 VanDerWaalsContact O-CG 3.27Å; A246-L250 WeakPolarHBondContact O-CG 3.29Å; A246-L250 PolarHBondContact O-N 2.89Å; K247-L250 PolarHBondContact O-N 2.75Å; L250-L253 PolarHBondContact O-N 3.14Å; L250-S254 PolarHBondContact O-N 3.5Å
251V80.6Confident67.9Low68 Ų6857.2 Ų57.241%0.41230%0.296SS..Hα-helixtrans-69.6-46.7177.4170.80000110.9K247 E248 V249 L253 S254 E255K247-V251 VanDerWaalsContact O-CG2 3.29Å; K247-V251 WeakPolarHBondContact O-CG2 3.35Å; K247-V251 PolarHBondContact O-N 2.92Å; E248-V251 PolarHBondContact O-N 2.86Å; V249-V251 VanDerWaalsContact C-N 3.33Å; V249-V251 PolarHBondContact O-N 2.66Å; V251-L253 PolarHBondContact O-N 2.69Å; V251-S254 VanDerWaalsContact CA-OG 3.32Å; V251-S254 WeakPolarHBondContact CA-OG 3.43Å; V251-S254 CarbonylContact O-C 3.59Å; V251-S254 WeakPolarHBondContact O-CA 3.28Å; V251-S254 PolarHBondContact O-N 2.72Å; V251-S254 PolarHBondContact O-OG 2.97Å; V251-E255 HydrophobicContact CG1-CG 4.34Å; V251-E255 WeakPolarHBondContact O-CG 3.16Å; V251-E255 PolarHBondContact O-N 3.33Å
252H69.5Low64.8Low40 Ų4063.9 Ų63.919%0.18532%0.324CS..Hα-helixtrans-56.4-37.3175.5-77.3-169.7000111.7Y209 E248 E255 I256Y209-H252 AromaticContact CD1-CE1 3.95Å; Y209-H252 AromaticContact CE1-CE1 3.85Å; Y209-H252 AromaticContact CE1-ND1 3.71Å; E248-H252 PolarHBondContact O-N 3.26Å; H252-E255 PolarHBondContact O-N 2.64Å; H252-I256 WeakPolarHBondContact O-CD1 3.31Å; H252-I256 WeakPolarHBondContact O-CG1 3.38Å; H252-I256 PolarHBondContact O-N 2.95Å
253L58.9Low61.9Low12 Ų1271.6 Ų71.66%0.06337%0.365CS..Hα-helixtrans-71-38.7174.3-73.4164.9000112.7R3 F121 V249 L250 V251 E255 I256 E257R3-L253 HydrophobicContact CB-CD2 4.43Å; R3-L253 HydrophobicContact CG-CD1 4.38Å; R3-L253 HydrophobicContact CG-CD2 3.81Å; F121-L253 HydrophobicContact CD1-CD1 4.41Å; F121-L253 HydrophobicContact CE1-CD1 3.17Å; F121-L253 HydrophobicContact CE2-CD1 4.48Å; F121-L253 HydrophobicContact CZ-CD1 3.21Å; V249-L253 HydrophobicContact CG1-CD1 4.3Å; V249-L253 WeakPolarHBondContact O-CG 3.27Å; V249-L253 PolarHBondContact O-N 3.48Å; V249-L253 VanDerWaalsContact O-N 3.14Å; L250-L253 PolarHBondContact O-N 3.14Å; V251-L253 PolarHBondContact O-N 2.69Å; L253-E255 PolarHBondContact O-N 3.2Å; L253-I256 CarbonylContact O-C 3.51Å; L253-I256 PolarHBondContact O-N 2.7Å; L253-E257 WeakPolarHBondContact O-CA 3.32Å; L253-E257 WeakPolarHBondContact O-CB 3.47Å; L253-E257 WeakPolarHBondContact O-CG 3.33Å; L253-E257 PolarHBondContact O-N 2.7Å
254S43.2Very low59.6Low41 Ų4171.6 Ų71.629%0.28737%0.367SS..Hα-helixtrans-66.8-24.316964.60000112.2L250 V251 E258L250-S254 PolarHBondContact O-N 3.5Å; V251-S254 VanDerWaalsContact CA-OG 3.32Å; V251-S254 WeakPolarHBondContact CA-OG 3.43Å; V251-S254 CarbonylContact O-C 3.59Å; V251-S254 WeakPolarHBondContact O-CA 3.28Å; V251-S254 PolarHBondContact O-N 2.72Å; V251-S254 PolarHBondContact O-OG 2.97Å; S254-E258 WeakPolarHBondContact O-CA 3.41Å; S254-E258 WeakPolarHBondContact O-CB 3.31Å; S254-E258 VanDerWaalsContact O-CG 3.22Å; S254-E258 WeakPolarHBondContact O-CG 3.44Å; S254-E258 PolarHBondContact O-N 2.86Å
255E37.5Very low57.6Low121 Ų12176.4 Ų76.457%0.56538%0.382SS*.Hα-helixtrans-80.2-21.8174-71.9-178.3178.400112.1V251 H252 L253 V259V251-E255 HydrophobicContact CG1-CG 4.34Å; V251-E255 WeakPolarHBondContact O-CG 3.16Å; V251-E255 PolarHBondContact O-N 3.33Å; H252-E255 PolarHBondContact O-N 2.64Å; L253-E255 PolarHBondContact O-N 3.2Å; E255-V259 WeakPolarHBondContact O-CG2 3.48Å; E255-V259 PolarHBondContact O-N 2.94Å
256I38.9Very low56.4Low82 Ų8279.5 Ų79.542%0.42140%0.401SS..Hα-helixtrans-87.5-38.1173.6-65.2162.9000111.1H252 L253H252-I256 WeakPolarHBondContact O-CD1 3.31Å; H252-I256 WeakPolarHBondContact O-CG1 3.38Å; H252-I256 PolarHBondContact O-N 2.95Å; L253-I256 CarbonylContact O-C 3.51Å; L253-I256 PolarHBondContact O-N 2.7Å
257E29.8Very low55.7Low140 Ų14081.4 Ų81.465%0.65441%0.412SS*.Hα-helixtrans-88.4-22.9177.1-67.7-174.9163.800112.9L253 D260L253-E257 WeakPolarHBondContact O-CA 3.32Å; L253-E257 WeakPolarHBondContact O-CB 3.47Å; L253-E257 WeakPolarHBondContact O-CG 3.33Å; L253-E257 PolarHBondContact O-N 2.7Å; E257-D260 WeakPolarHBondContact O-CB 3.4Å
258E27.3Very low55.5Low111 Ų11180.4 Ų80.452%0.51941%0.409SS..  trans-100.520165.6-51.7-170.3131.100112.2S254 D260 K262S254-E258 WeakPolarHBondContact O-CA 3.41Å; S254-E258 WeakPolarHBondContact O-CB 3.31Å; S254-E258 VanDerWaalsContact O-CG 3.22Å; S254-E258 WeakPolarHBondContact O-CG 3.44Å; S254-E258 PolarHBondContact O-N 2.86Å; E258-D260 PolarHBondContact O-N 3.26Å; E258-K262 IonicContact OE1-NZ 3.15Å
259V29.4Very low55.3Low68 Ų6879.3 Ų79.341%0.41241%0.405SS..  trans-70.149.6134.3-159.90000109E255 I339E255-V259 WeakPolarHBondContact O-CG2 3.48Å; E255-V259 PolarHBondContact O-N 2.94Å; V259-I339 HydrophobicContact CG1-CD1 3.53Å
260D29.2Very low55.2Low99 Ų9981.7 Ų81.753%0.52942%0.42SS..SBendtrans-139.783.5-179.7-159.326000105.5E257 E258 K262E257-D260 WeakPolarHBondContact O-CB 3.4Å; E258-D260 PolarHBondContact O-N 3.26Å; D260-K262 PolarHBondContact O-N 2.95Å
261I30.4Very low55.1Low112 Ų11280.5 Ų80.557%0.57441%0.414SS*.SBendtrans6523.9143.2-34.6162.4000117.5
262K31.4Very low55.4Low154 Ų15482.1 Ų82.167%0.6743%0.428SS*.SBendtrans-101.9-9.1169.4-82.2-175.7-170.8157.50117.2E258 D260E258-K262 IonicContact OE1-NZ 3.15Å; D260-K262 PolarHBondContact O-N 2.95Å
263N37.8Very low56.3Low163 Ų16383 Ų8387%0.87243%0.434SS*.SBendtrans-159.3-12.2158-91.4-31.6000115.5
264D48.1Very low57.6Low58 Ų5882.8 Ų82.831%0.3143%0.433SS..SBendtrans-105.997.4170.5-85.3-1.5000109V266 I339 R341D264-V266 PolarHBondContact O-N 2.79Å; D264-I339 HydrophobicContact CB-CG2 3.95Å; D264-I339 WeakPolarHBondContact OD2-CG2 3.3Å; D264-R341 IonicContact OD2-NE 2.69Å; D264-R341 PolarHBondContact OD2-NE 3.5Å
265Q55.6Low59.5Low144 Ų14485.9 Ų85.967%0.67344%0.438SS*.  trans-68.4120174.1-70.5-179.5-2.700109.1V267Q265-V267 HydrophobicContact CB-CG1 4.29Å; Q265-V267 PolarHBondContact O-N 2.81Å; Q265-V267 VanDerWaalsContact O-N 3.16Å
266V70Confident61.5Low64 Ų6483.2 Ų83.239%0.38843%0.431SS..EExtended strand (participates in β ladder)trans-64117.1163.4-179.20000106.8D264 P305 P337 A338 I339D264-V266 PolarHBondContact O-N 2.79Å; V266-P305 HydrophobicContact CG1-CB 4.14Å; V266-P305 HydrophobicContact CG2-CG 4.27Å; V266-P337 HydrophobicContact CG1-CB 3.79Å; V266-A338 WeakPolarHBondContact CA-O 3.22Å; V266-I339 HydrophobicContact CG2-CG1 4.14Å
267V83.7Confident63Low40 Ų4079.7 Ų79.724%0.24241%0.414CS..EExtended strand (participates in β ladder)trans-112.4139.7178-710000109.2Q265 I269 A338 I340Q265-V267 HydrophobicContact CB-CG1 4.29Å; Q265-V267 PolarHBondContact O-N 2.81Å; Q265-V267 VanDerWaalsContact O-N 3.16Å; V267-I269 HydrophobicContact CB-CG1 4.49Å; V267-I269 HydrophobicContact CG2-CD1 3.89Å; V267-I269 HydrophobicContact CG2-CG1 3.7Å; V267-I269 PolarHBondContact O-N 3.24Å; V267-A338 WeakPolarHBondContact CG2-O 3.43Å; V267-A338 PolarHBondContact N-O 3.5Å; V267-A338 PolarHBondContact O-N 2.81Å; V267-I340 HydrophobicContact CG2-CD1 3.49Å; V267-I340 VanDerWaalsContact CG2-CD1 3.49Å; V267-I340 HydrophobicContact CG2-CG1 3.76Å
268E88.8Confident64.8Low106 Ų10677.1 Ų77.150%0.49541%0.409SS..EExtended strand (participates in β ladder)trans-75.4111.2167.1-74.4-62.7137.800108.4T335 I336 P337E268-T335 HydrophobicContact CB-CG2 4.44Å; E268-T335 WeakPolarHBondContact OE2-CB 3.06Å; E268-T335 PolarHBondContact OE2-OG1 3.17Å; E268-I336 PolarHBondContact OE2-N 3.3Å; E268-P337 WeakPolarHBondContact OE1-CA 3.37Å; E268-P337 VanDerWaalsContact OE1-CB 3.32Å; E268-P337 WeakPolarHBondContact OE1-CB 3.38Å; E268-P337 WeakPolarHBondContact OE1-CD 3.38Å
269I88.3Confident66.6Low3 Ų374.6 Ų74.62%0.01540%0.395CS..EExtended strand (participates in β ladder)trans-101.5129178.8-60.2-179.2000108.5V267 L271 D273 L274 V308 Y316 T335 I336 A338 I340V267-I269 HydrophobicContact CB-CG1 4.49Å; V267-I269 HydrophobicContact CG2-CD1 3.89Å; V267-I269 HydrophobicContact CG2-CG1 3.7Å; V267-I269 PolarHBondContact O-N 3.24Å; I269-L271 PolarHBondContact O-N 3.23Å; I269-D273 HydrophobicContact CG2-CB 4.13Å; I269-L274 HydrophobicContact CB-CD1 4.37Å; I269-L274 HydrophobicContact CB-CG 4.48Å; I269-L274 HydrophobicContact CG2-CD1 4.1Å; I269-L274 HydrophobicContact CG2-CD2 4.05Å; I269-L274 HydrophobicContact CG2-CG 3.74Å; I269-V308 HydrophobicContact CD1-CG2 3.63Å; I269-Y316 HydrophobicContact CD1-CD1 3.98Å; I269-Y316 HydrophobicContact CD1-CD2 3.73Å; I269-Y316 HydrophobicContact CD1-CE1 4.15Å; I269-Y316 HydrophobicContact CD1-CE2 3.88Å; I269-Y316 HydrophobicContact CD1-CG 3.77Å; I269-Y316 HydrophobicContact CG1-CD2 4.32Å; I269-Y316 HydrophobicContact CG1-CE2 4.21Å; I269-Y316 HydrophobicContact CG2-CD2 3.52Å; I269-Y316 HydrophobicContact CG2-CE2 3.93Å; I269-Y316 HydrophobicContact CG2-CG 4.32Å; I269-T335 WeakPolarHBondContact O-CA 3.33Å; I269-I336 PolarHBondContact N-O 2.85Å; I269-I336 PolarHBondContact O-N 3.14Å; I269-A338 HydrophobicContact CB-CB 4.37Å; I269-A338 HydrophobicContact CD1-CB 3.47Å; I269-A338 VanDerWaalsContact CD1-CB 3.47Å; I269-A338 HydrophobicContact CG1-CB 3.87Å; I269-I340 HydrophobicContact CD1-CG1 4.13Å
270P90.6Very high67.9Low50 Ų5073.2 Ų73.233%0.32538%0.384SS..EExtended strand (participates in β ladder)trans-54.4131.6170.5-25.534.7000110.7S272 D273P270-S272 WeakPolarHBondContact CB-OG 3.32Å; P270-S272 PolarHBondContact O-N 3.04Å; P270-D273 HydrophobicContact CB-CB 4.43Å; P270-D273 PolarHBondContact O-N 3.29Å
271L87.7Confident68.7Low15 Ų1569.1 Ų69.18%0.07936%0.363CS..THydrogen-bonded Turntrans-58.4-22.4177.6-71.5176.2000112.8I269 D273 L274 F325 K329 K333 E334 I336I269-L271 PolarHBondContact O-N 3.23Å; L271-D273 VanDerWaalsContact C-N 3.33Å; L271-L274 HydrophobicContact CD2-CD1 4.19Å; L271-F325 HydrophobicContact CD2-CD2 3.58Å; L271-F325 HydrophobicContact CD2-CE2 3.73Å; L271-K329 HydrophobicContact CD1-CG 3.95Å; L271-K333 HydrophobicContact CD1-CB 4.33Å; L271-K333 WeakPolarHBondContact CD1-O 3.46Å; L271-E334 PolarHBondContact N-O 3.07Å; L271-I336 HydrophobicContact CD2-CB 3.86Å; L271-I336 HydrophobicContact CD2-CD1 4.48Å; L271-I336 HydrophobicContact CD2-CG2 3.62Å
272S87.4Confident69.8Low102 Ų10268.9 Ų68.971%0.71336%0.355SS*.THydrogen-bonded Turntrans-68.8-27.5173.857.80000114P270 L274P270-S272 WeakPolarHBondContact CB-OG 3.32Å; P270-S272 PolarHBondContact O-N 3.04Å; S272-L274 VanDerWaalsContact C-N 3.32Å
273D88.4Confident71.1Confident58 Ų5871.5 Ų71.531%0.3137%0.366SS..THydrogen-bonded Turntrans-88.4-7-178.6-72-3.3000111.7I269 P270 L271 G315 Y316I269-D273 HydrophobicContact CG2-CB 4.13Å; P270-D273 HydrophobicContact CB-CB 4.43Å; P270-D273 PolarHBondContact O-N 3.29Å; L271-D273 VanDerWaalsContact C-N 3.33Å; D273-G315 CarbonylContact O-C 3.36Å; D273-G315 VanDerWaalsContact O-CA 3.3Å; D273-G315 WeakPolarHBondContact O-CA 3.34Å; D273-Y316 HydrophobicContact CB-CD2 4.38Å; D273-Y316 PolarHBondContact O-N 3.35Å
274L86.8Confident71.9Confident8 Ų867.8 Ų67.84%0.04235%0.353CS..EExtended strand (participates in β ladder)trans-95132.1-179.3-73.1164.8000112.4I269 L271 S272 I306 V308 Y316 F325 I336I269-L274 HydrophobicContact CB-CD1 4.37Å; I269-L274 HydrophobicContact CB-CG 4.48Å; I269-L274 HydrophobicContact CG2-CD1 4.1Å; I269-L274 HydrophobicContact CG2-CD2 4.05Å; I269-L274 HydrophobicContact CG2-CG 3.74Å; L271-L274 HydrophobicContact CD2-CD1 4.19Å; S272-L274 VanDerWaalsContact C-N 3.32Å; L274-I306 HydrophobicContact CD1-CD1 3.58Å; L274-I306 HydrophobicContact CD2-CD1 4Å; L274-I306 HydrophobicContact CG-CD1 4.47Å; L274-V308 HydrophobicContact CD2-CB 4.29Å; L274-V308 HydrophobicContact CD2-CG1 3.43Å; L274-V308 VanDerWaalsContact CD2-CG1 3.43Å; L274-Y316 CarbonylContact C-O 3.49Å; L274-Y316 WeakPolarHBondContact CA-O 3.49Å; L274-F325 HydrophobicContact CB-CD2 4.24Å; L274-F325 HydrophobicContact CB-CE2 3.5Å; L274-F325 VanDerWaalsContact CB-CE2 3.5Å; L274-F325 HydrophobicContact CB-CZ 3.88Å; L274-F325 HydrophobicContact CD1-CD2 4.03Å; L274-F325 HydrophobicContact CD1-CE2 3.98Å; L274-F325 HydrophobicContact CG-CE2 4.38Å; L274-I336 HydrophobicContact CD1-CG2 3.27Å
275R83.2Confident72.6Confident105 Ų10566.8 Ų66.840%0.39635%0.346SS..EExtended strand (participates in β ladder)trans-111.6139.1174.2-62.4-178.4-178-169.60.1109.8V313 Y316 E317 L318R275-V313 VanDerWaalsContact NH1-CB 3.35Å; R275-V313 VanDerWaalsContact NH2-CG1 3.26Å; R275-Y316 PolarHBondContact N-O 3.37Å; R275-E317 HydrophobicContact CB-CG 4.26Å; R275-L318 WeakPolarHBondContact O-CB 3.47Å; R275-L318 PolarHBondContact O-N 2.75Å
276P78.4Confident73.3Confident65 Ų6564.3 Ų64.342%0.42234%0.338SS..  trans-57.4154.4172.2-18.129.1000110.9P278 F325P276-P278 WeakPolarHBondContact O-CD 3.49Å; P276-F325 HydrophobicContact CG-CE1 4.33Å
277N71.6Confident73.6Confident8 Ų869.1 Ų69.14%0.04336%0.356CS..  trans-60.1119.7170.8-170.7-19.3000109.1Y279 Q280 L318N277-Y279 PolarHBondContact O-N 3.3Å; N277-Y279 VanDerWaalsContact O-N 3.13Å; N277-Y279 WeakPolarHBondContact OD1-CB 3.27Å; N277-Y279 PolarHBondContact OD1-N 3.32Å; N277-Q280 HydrophobicContact CB-CB 4.3Å; N277-Q280 VanDerWaalsContact O-CB 3.28Å; N277-Q280 WeakPolarHBondContact O-CB 3.44Å; N277-Q280 PolarHBondContact O-N 3.25Å; N277-L318 VanDerWaalsContact CB-O 3.25Å; N277-L318 WeakPolarHBondContact CB-O 3.37Å
278P67.6Low73.2Confident86 Ų8671.5 Ų71.556%0.55837%0.371SS*.THydrogen-bonded Turntrans-62-20.9177.523-31.2000112.6P276P276-P278 WeakPolarHBondContact O-CD 3.49Å
279Y63.2Low72.3Confident58 Ų5867.7 Ų67.723%0.22736%0.356CS..THydrogen-bonded Turntrans-99.821.1178.5-52.5-66.7000112.6N277 P281 E345 M348 M349 M373N277-Y279 PolarHBondContact O-N 3.3Å; N277-Y279 VanDerWaalsContact O-N 3.13Å; N277-Y279 WeakPolarHBondContact OD1-CB 3.27Å; N277-Y279 PolarHBondContact OD1-N 3.32Å; Y279-P281 VanDerWaalsContact O-CD 3.28Å; Y279-P281 WeakPolarHBondContact O-CD 3.27Å; Y279-P281 VanDerWaalsContact O-N 3.16Å; Y279-E345 PolarHBondContact OH-OE1 3.17Å; Y279-M348 HydrophobicContact CD2-SD 4.3Å; Y279-M349 HydrophobicContact CD1-CG 4.49Å; Y279-M349 HydrophobicContact CD2-CB 4.37Å; Y279-M349 HydrophobicContact CE2-CB 4.34Å; Y279-M349 HydrophobicContact CG-CG 4.49Å; Y279-M373 HydrophobicContact CD1-CE 3.55Å; Y279-M373 HydrophobicContact CE1-CE 4.08Å; Y279-M373 HydrophobicContact CG-CE 4.42Å
280Q57.9Low71.7Confident40 Ų4068.4 Ų68.419%0.18736%0.36CS..  trans-55.2118.6-171.3-17461.110.400112.6N277 R282 E322N277-Q280 HydrophobicContact CB-CB 4.3Å; N277-Q280 VanDerWaalsContact O-CB 3.28Å; N277-Q280 WeakPolarHBondContact O-CB 3.44Å; N277-Q280 PolarHBondContact O-N 3.25Å; Q280-R282 VanDerWaalsContact C-N 3.32Å; Q280-R282 PolarHBondContact O-N 3.47Å; Q280-E322 HydrophobicContact CG-CG 4.35Å
281P46.9Very low71.3Confident13 Ų1370.3 Ų70.38%0.08436%0.364CS..SBendtrans-55.8-40.4-180-33.638.8000115.8Y279 A352 E355 N356 R359Y279-P281 VanDerWaalsContact O-CD 3.28Å; Y279-P281 WeakPolarHBondContact O-CD 3.27Å; Y279-P281 VanDerWaalsContact O-N 3.16Å; P281-A352 WeakPolarHBondContact CG-O 3.4Å; P281-E355 HydrophobicContact CG-CB 4.39Å; P281-N356 WeakPolarHBondContact CA-ND2 3.29Å; P281-N356 WeakPolarHBondContact CA-OD1 3.37Å; P281-N356 HydrophobicContact CB-CB 4.37Å; P281-N356 WeakPolarHBondContact CB-OD1 3.41Å; P281-N356 WeakPolarHBondContact CG-ND2 3.48Å; P281-N356 PolarHBondContact O-OD1 3.37Å; P281-R359 PolarHBondContact O-NH1 3.27Å
282R52.3Low70.6Confident106 Ų10676.1 Ų76.140%0.439%0.391SS..  trans-95.6111.5-167.3-136.1-176.6-78.3-138-4.9109.6Q280 S284 F285Q280-R282 VanDerWaalsContact C-N 3.32Å; Q280-R282 PolarHBondContact O-N 3.47Å; R282-S284 WeakPolarHBondContact CD-O 3.39Å; R282-S284 WeakPolarHBondContact CG-O 3.19Å; R282-F285 HydrophobicContact CB-CE1 4.25Å; R282-F285 HydrophobicContact CB-CE2 4.07Å; R282-F285 HydrophobicContact CB-CZ 3.76Å; R282-F285 WeakPolarHBondContact O-CE2 3.2Å
283K58.2Low70Confident209 Ų20973.5 Ų73.591%0.90937%0.369SS*.SBendtrans-87.8-24.8173.9-66.3-178.8-177.21700112.7
284S54.5Low69.8Low86 Ų8670.8 Ų70.860%0.60135%0.354SS*.  trans-111.1136.6175.656.40000110.9R282R282-S284 WeakPolarHBondContact CD-O 3.39Å; R282-S284 WeakPolarHBondContact CG-O 3.19Å
285F62.9Low69.6Low37 Ų3773.9 Ų73.916%0.16237%0.371CS..  trans-127.5134.1172.4-67.3-99.8000106.9R282 E287 E322 R323 R326R282-F285 HydrophobicContact CB-CE1 4.25Å; R282-F285 HydrophobicContact CB-CE2 4.07Å; R282-F285 HydrophobicContact CB-CZ 3.76Å; R282-F285 WeakPolarHBondContact O-CE2 3.2Å; F285-E287 PolarHBondContact O-N 3.25Å; F285-E322 HydrophobicContact CE1-CG 3.95Å; F285-E322 HydrophobicContact CZ-CG 3.69Å; F285-R323 HydrophobicContact CD1-CG 4.13Å; F285-R323 HydrophobicContact CE1-CG 4.16Å; F285-R326 VanDerWaalsContact CE2-NH2 3.25Å
286D71.2Confident69.2Low92 Ų9271.5 Ų71.549%0.49237%0.37SS..  trans-70.9114.2173.7176.653.8000109.5T288 S289 L290D286-T288 VanDerWaalsContact C-N 3.29Å; D286-T288 PolarHBondContact O-N 3.39Å; D286-T288 PolarHBondContact OD1-OG1 2.89Å; D286-T288 PolarHBondContact OD2-OG1 3.37Å; D286-S289 PolarHBondContact O-N 3.24Å; D286-S289 PolarHBondContact O-OG 2.95Å; D286-S289 VanDerWaalsContact OD2-CB 3.24Å; D286-S289 WeakPolarHBondContact OD2-CB 3.47Å; D286-S289 PolarHBondContact OD2-N 2.87Å; D286-S289 PolarHBondContact OD2-OG 3.12Å; D286-L290 PolarHBondContact O-N 2.9Å; D286-L290 VanDerWaalsContact O-N 3.17Å
287E76.8Confident69.4Low165 Ų16568.7 Ų68.777%0.77135%0.351SS*.Hα-helixtrans-62.5-36.6-175.4-69.3-172.7164.200111.7F285 L290 Q291F285-E287 PolarHBondContact O-N 3.25Å; E287-L290 PolarHBondContact O-N 2.62Å; E287-Q291 PolarHBondContact O-N 3.36Å
288T74Confident70Confident90 Ų9074.2 Ų74.255%0.55238%0.377SS*.Hα-helixtrans-62.4-52.1178.328.60000112.1D286 L290 Q291 E292D286-T288 VanDerWaalsContact C-N 3.29Å; D286-T288 PolarHBondContact O-N 3.39Å; D286-T288 PolarHBondContact OD1-OG1 2.89Å; D286-T288 PolarHBondContact OD2-OG1 3.37Å; T288-L290 PolarHBondContact O-N 2.85Å; T288-Q291 PolarHBondContact O-N 3.49Å; T288-Q291 VanDerWaalsContact O-N 3.16Å; T288-E292 PolarHBondContact O-N 3.23Å
289S69.5Low70.5Confident26 Ų2678.5 Ų78.518%0.18239%0.39CS..Hα-helixtrans-64.2-24.6177.179.10000113.9D286 L293 R323D286-S289 PolarHBondContact O-N 3.24Å; D286-S289 PolarHBondContact O-OG 2.95Å; D286-S289 VanDerWaalsContact OD2-CB 3.24Å; D286-S289 WeakPolarHBondContact OD2-CB 3.47Å; D286-S289 PolarHBondContact OD2-N 2.87Å; D286-S289 PolarHBondContact OD2-OG 3.12Å; S289-L293 PolarHBondContact O-N 2.64Å; S289-R323 VanDerWaalsContact CB-NH2 3.33Å; S289-R323 PolarHBondContact O-NH2 3.16Å; S289-R323 PolarHBondContact OG-NH2 3.49Å
290L77.2Confident71Confident18 Ų1879 Ų799%0.09440%0.402CS..Hα-helixtrans-78.5-37.5177.1-166.671.1000110.6D286 E287 T288 L293 A294 R323 R326 A327 L330D286-L290 PolarHBondContact O-N 2.9Å; D286-L290 VanDerWaalsContact O-N 3.17Å; E287-L290 PolarHBondContact O-N 2.62Å; T288-L290 PolarHBondContact O-N 2.85Å; L290-L293 PolarHBondContact O-N 3.47Å; L290-A294 WeakPolarHBondContact O-CB 3.48Å; L290-A294 PolarHBondContact O-N 2.7Å; L290-R323 HydrophobicContact CD1-CB 4.43Å; L290-R326 HydrophobicContact CD1-CB 3.94Å; L290-R326 HydrophobicContact CD2-CB 4.06Å; L290-A327 HydrophobicContact CD1-CB 4.12Å; L290-L330 HydrophobicContact CD2-CD1 3.57Å; L290-L330 HydrophobicContact CG-CD1 3.75Å
291Q80.8Confident71.8Confident90 Ų9078.2 Ų78.242%0.42141%0.405SS..Hα-helixtrans-67-41.3175.2-169.261.149.200111.9E287 T288 L293 A294 N295E287-Q291 PolarHBondContact O-N 3.36Å; T288-Q291 PolarHBondContact O-N 3.49Å; T288-Q291 VanDerWaalsContact O-N 3.16Å; Q291-L293 VanDerWaalsContact C-N 3.34Å; Q291-L293 PolarHBondContact O-N 2.92Å; Q291-A294 WeakPolarHBondContact O-CB 3.11Å; Q291-A294 PolarHBondContact O-N 3.25Å; Q291-N295 PolarHBondContact NE2-OD1 3.15Å; Q291-N295 PolarHBondContact O-N 3.41Å; Q291-N295 PolarHBondContact O-OD1 2.65Å
292E74.5Confident73.2Confident137 Ų13778.8 Ų78.864%0.6441%0.407SS*.Hα-helixtrans-59-45.2174.2-72.2175.6173.600111.9T288 A294 N295 S296T288-E292 PolarHBondContact O-N 3.23Å; E292-A294 VanDerWaalsContact C-N 3.34Å; E292-N295 PolarHBondContact O-N 2.98Å; E292-S296 PolarHBondContact O-N 2.97Å
293L74.2Confident73.9Confident47 Ų4783 Ų8325%0.24643%0.429CS..Hα-helixtrans-65-38.5175.8-177.661.3000111.6S289 L290 Q291 S296 I297 R323 A327S289-L293 PolarHBondContact O-N 2.64Å; L290-L293 PolarHBondContact O-N 3.47Å; Q291-L293 VanDerWaalsContact C-N 3.34Å; Q291-L293 PolarHBondContact O-N 2.92Å; L293-S296 WeakPolarHBondContact O-CB 3.19Å; L293-S296 PolarHBondContact O-N 3.19Å; L293-I297 HydrophobicContact CD1-CD1 4.19Å; L293-I297 HydrophobicContact CD1-CG1 4.32Å; L293-I297 HydrophobicContact CD2-CD1 4.49Å; L293-I297 HydrophobicContact CG-CD1 3.89Å; L293-I297 HydrophobicContact CG-CG1 4.43Å; L293-I297 WeakPolarHBondContact O-CB 3.33Å; L293-I297 VanDerWaalsContact O-CG1 3.29Å; L293-I297 WeakPolarHBondContact O-CG1 3.26Å; L293-I297 PolarHBondContact O-N 3.02Å; L293-R323 HydrophobicContact CD2-CB 4.1Å; L293-A327 HydrophobicContact CB-CB 4Å; L293-A327 HydrophobicContact CD2-CB 3.73Å; L293-A327 HydrophobicContact CG-CB 3.65Å
294A84.2Confident73.9Confident1 Ų178.1 Ų78.11%0.00841%0.41CS..Hα-helixtrans-61.5-46.3175.900000111.1L290 Q291 E292 S296 I297 E298 A327 L330 A331L290-A294 WeakPolarHBondContact O-CB 3.48Å; L290-A294 PolarHBondContact O-N 2.7Å; Q291-A294 WeakPolarHBondContact O-CB 3.11Å; Q291-A294 PolarHBondContact O-N 3.25Å; E292-A294 VanDerWaalsContact C-N 3.34Å; A294-S296 VanDerWaalsContact C-N 3.28Å; A294-S296 PolarHBondContact O-N 2.56Å; A294-I297 PolarHBondContact O-N 3.04Å; A294-E298 PolarHBondContact O-N 3.49Å; A294-A327 HydrophobicContact CB-CB 4.23Å; A294-A327 WeakPolarHBondContact CB-O 3.32Å; A294-L330 HydrophobicContact CB-CB 3.75Å; A294-A331 HydrophobicContact CB-CB 4.33Å; A294-A331 WeakPolarHBondContact O-CB 3.44Å
295N83.3Confident74.9Confident73 Ų7375.5 Ų75.539%0.3939%0.39SS..Hα-helixtrans-60.4-39.1176.1-62.1-10.6000111.5Q291 E292 E298 Q299Q291-N295 PolarHBondContact NE2-OD1 3.15Å; Q291-N295 PolarHBondContact O-N 3.41Å; Q291-N295 PolarHBondContact O-OD1 2.65Å; E292-N295 PolarHBondContact O-N 2.98Å; N295-E298 PolarHBondContact O-N 3.32Å; N295-Q299 WeakPolarHBondContact O-CG 3.24Å; N295-Q299 PolarHBondContact O-N 3.32Å
296S74.7Confident75.7Confident55 Ų5573.7 Ų73.739%0.38538%0.383SS..Hα-helixtrans-65.9-43.3175.3176.70000112.6E292 L293 A294 E298 Q299 S300E292-S296 PolarHBondContact O-N 2.97Å; L293-S296 WeakPolarHBondContact O-CB 3.19Å; L293-S296 PolarHBondContact O-N 3.19Å; A294-S296 VanDerWaalsContact C-N 3.28Å; A294-S296 PolarHBondContact O-N 2.56Å; S296-E298 VanDerWaalsContact C-N 3.31Å; S296-E298 PolarHBondContact O-N 3.21Å; S296-Q299 PolarHBondContact O-N 3.45Å; S296-S300 PolarHBondContact O-N 3.34Å; S296-S300 PolarHBondContact O-OG 3Å
297I81.9Confident76.1Confident5 Ų571.5 Ų71.53%0.02637%0.37CS..Hα-helixtrans-66.9-33.6177.6-71.7169.8000111.6L293 A294 Q299 G301 V302 A327 A331 K333L293-I297 HydrophobicContact CD1-CD1 4.19Å; L293-I297 HydrophobicContact CD1-CG1 4.32Å; L293-I297 HydrophobicContact CD2-CD1 4.49Å; L293-I297 HydrophobicContact CG-CD1 3.89Å; L293-I297 HydrophobicContact CG-CG1 4.43Å; L293-I297 WeakPolarHBondContact O-CB 3.33Å; L293-I297 VanDerWaalsContact O-CG1 3.29Å; L293-I297 WeakPolarHBondContact O-CG1 3.26Å; L293-I297 PolarHBondContact O-N 3.02Å; A294-I297 PolarHBondContact O-N 3.04Å; I297-Q299 VanDerWaalsContact C-N 3.33Å; I297-G301 VanDerWaalsContact O-CA 3.23Å; I297-G301 WeakPolarHBondContact O-CA 3.48Å; I297-G301 PolarHBondContact O-N 3.19Å; I297-V302 HydrophobicContact CD1-CG2 4.06Å; I297-V302 HydrophobicContact CG1-CG2 4.07Å; I297-V302 HydrophobicContact CG2-CG2 3.65Å; I297-A327 HydrophobicContact CD1-CB 3.61Å; I297-A331 HydrophobicContact CB-CB 4.3Å; I297-A331 HydrophobicContact CG2-CB 4.02Å; I297-K333 HydrophobicContact CG2-CG 4.04Å; I297-K333 WeakPolarHBondContact O-CE 3.45Å; I297-K333 PolarHBondContact O-NZ 3.4Å
298E84.4Confident76.4Confident124 Ų12463.7 Ų63.758%0.57933%0.334SS*.Hα-helixtrans-59.3-47174-168.4175.6-167.300110.6A294 N295 S296 A331A294-E298 PolarHBondContact O-N 3.49Å; N295-E298 PolarHBondContact O-N 3.32Å; S296-E298 VanDerWaalsContact C-N 3.31Å; S296-E298 PolarHBondContact O-N 3.21Å; E298-A331 HydrophobicContact CB-CB 4.31Å
299Q77.4Confident76.7Confident176 Ų17660.4 Ų60.482%0.82231%0.311SS*.Hα-helixtrans-76.4-42.5-177.7-67.5179.60.500114.4N295 S296 I297N295-Q299 WeakPolarHBondContact O-CG 3.24Å; N295-Q299 PolarHBondContact O-N 3.32Å; S296-Q299 PolarHBondContact O-N 3.45Å; I297-Q299 VanDerWaalsContact C-N 3.33Å
300S73.4Confident77.4Confident69 Ų6965.7 Ų65.748%0.48333%0.331SS..Hα-helixtrans-114.3-8.7-167.463.40000114.6S296S296-S300 PolarHBondContact O-N 3.34Å; S296-S300 PolarHBondContact O-OG 3Å
301G75.8Confident77.5Confident24 Ų2465.6 Ų65.625%0.24733%0.332CS..  trans76.4-173.9-169.700000112.4I297I297-G301 VanDerWaalsContact O-CA 3.23Å; I297-G301 WeakPolarHBondContact O-CA 3.48Å; I297-G301 PolarHBondContact O-N 3.19Å
302V75.9Confident77Confident24 Ų2466.6 Ų66.615%0.14536%0.356CS..  trans-94.9104.8178179.10000108.2I297 Q304 S328 I336 P337I297-V302 HydrophobicContact CD1-CG2 4.06Å; I297-V302 HydrophobicContact CG1-CG2 4.07Å; I297-V302 HydrophobicContact CG2-CG2 3.65Å; V302-Q304 WeakPolarHBondContact CG1-O 3.43Å; V302-S328 VanDerWaalsContact CG2-OG 3.24Å; V302-S328 WeakPolarHBondContact CG2-OG 3.27Å; V302-I336 HydrophobicContact CB-CG1 4.41Å; V302-I336 HydrophobicContact CG1-CD1 4.49Å; V302-I336 HydrophobicContact CG1-CG1 4.24Å; V302-I336 HydrophobicContact CG2-CD1 4.34Å; V302-I336 HydrophobicContact CG2-CG1 4.09Å; V302-P337 HydrophobicContact CB-CG 3.75Å; V302-P337 HydrophobicContact CG1-CG 3.94Å; V302-P337 WeakPolarHBondContact O-CG 3.35Å
303F67.7Low76.8Confident194 Ų19463.8 Ų63.885%0.85135%0.348SS*.SBendtrans-68.5-40.5-175.7-123.6-88.3000113.2
304Q57.1Low76.9Confident108 Ų10870.4 Ų70.451%0.50537%0.374SS..SBendtrans-106.2122-179.3-163.4-178.330.800109.2V302 R324V302-Q304 WeakPolarHBondContact CG1-O 3.43Å; Q304-R324 VanDerWaalsContact C-NH1 3.29Å; Q304-R324 WeakPolarHBondContact O-CD 3.43Å; Q304-R324 PolarHBondContact O-NH1 2.77Å
305P75.2Confident77Confident30 Ų3071.1 Ų71.120%0.19538%0.382CS..  trans-64.7147.1179.925.6-33.9000111.7V266 R324 P337 I339V266-P305 HydrophobicContact CG1-CB 4.14Å; V266-P305 HydrophobicContact CG2-CG 4.27Å; P305-R324 VanDerWaalsContact C-NH1 3.28Å; P305-R324 PolarHBondContact O-NH1 2.84Å; P305-P337 CarbonylContact C-O 3.6Å; P305-P337 WeakPolarHBondContact CA-O 3.24Å; P305-P337 HydrophobicContact CB-CB 4.11Å; P305-P337 WeakPolarHBondContact CB-O 3.48Å; P305-I339 HydrophobicContact CB-CD1 4.29Å; P305-I339 HydrophobicContact CB-CG1 4.02Å; P305-I339 HydrophobicContact CG-CD1 3.61Å; P305-I339 HydrophobicContact CG-CG1 3.84Å
306I81.6Confident77.2Confident0 Ų070.2 Ų70.20%037%0.373CS..EExtended strand (participates in β ladder)trans-74.5157.6172.158.8164.1000110.4L274 V308 L318 R324 I336 P337 A338 I339L274-I306 HydrophobicContact CD1-CD1 3.58Å; L274-I306 HydrophobicContact CD2-CD1 4Å; L274-I306 HydrophobicContact CG-CD1 4.47Å; I306-V308 HydrophobicContact CD1-CG1 3.7Å; I306-V308 HydrophobicContact CG1-CG1 4.07Å; I306-L318 HydrophobicContact CB-CD1 3.89Å; I306-L318 HydrophobicContact CD1-CD1 3.54Å; I306-L318 HydrophobicContact CG1-CD1 4.2Å; I306-L318 HydrophobicContact CG2-CD1 4.41Å; I306-R324 HydrophobicContact CG2-CB 3.99Å; I306-I336 HydrophobicContact CD1-CD1 4.14Å; I306-I336 HydrophobicContact CD1-CG1 4.43Å; I306-I336 HydrophobicContact CD1-CG2 3.59Å; I306-I336 HydrophobicContact CG1-CD1 4.3Å; I306-I336 HydrophobicContact CG1-CG1 4.36Å; I306-I336 HydrophobicContact CG1-CG2 4.2Å; I306-I336 HydrophobicContact CG2-CD1 3.64Å; I306-I336 HydrophobicContact CG2-CG1 4.34Å; I306-P337 WeakPolarHBondContact CG1-O 3.22Å; I306-P337 PolarHBondContact N-O 3.21Å; I306-A338 HydrophobicContact CD1-CB 4.08Å; I306-A338 HydrophobicContact CG1-CB 3.55Å; I306-A338 CarbonylContact O-C 3.59Å; I306-A338 VanDerWaalsContact O-CA 3.23Å; I306-A338 WeakPolarHBondContact O-CA 3.41Å; I306-I339 PolarHBondContact O-N 3.4Å
307I78.6Confident77.8Confident46 Ų4668.8 Ų68.824%0.23636%0.36CS..EExtended strand (participates in β ladder)trans-105.2129.6176-56.5173000108.1I319 A320 R341I307-I319 HydrophobicContact CB-CB 4.36Å; I307-I319 HydrophobicContact CG2-CB 4.05Å; I307-I319 HydrophobicContact CG2-CD1 4.02Å; I307-I319 HydrophobicContact CG2-CG2 4.36Å; I307-I319 PolarHBondContact O-N 2.93Å; I307-A320 HydrophobicContact CB-CB 4.13Å; I307-A320 HydrophobicContact CD1-CB 4.22Å; I307-A320 HydrophobicContact CG1-CB 4.39Å; I307-A320 PolarHBondContact N-O 3.38Å; I307-A320 PolarHBondContact O-N 3.2Å; I307-A320 VanDerWaalsContact O-N 3.16Å; I307-R341 HydrophobicContact CG2-CG 4.3Å
308V84Confident77.7Confident0 Ų068.6 Ų68.60%036%0.36CS..EExtended strand (participates in β ladder)trans-135.4160.3-176.9-55.70000110.4I269 L274 I306 Y316 E317 L318 A338 I339 I340 R341I269-V308 HydrophobicContact CD1-CG2 3.63Å; L274-V308 HydrophobicContact CD2-CB 4.29Å; L274-V308 HydrophobicContact CD2-CG1 3.43Å; L274-V308 VanDerWaalsContact CD2-CG1 3.43Å; I306-V308 HydrophobicContact CD1-CG1 3.7Å; I306-V308 HydrophobicContact CG1-CG1 4.07Å; V308-Y316 HydrophobicContact CG2-CD1 3.9Å; V308-Y316 HydrophobicContact CG2-CG 4.25Å; V308-E317 CarbonylContact C-O 3.4Å; V308-E317 WeakPolarHBondContact CA-O 3.49Å; V308-E317 WeakPolarHBondContact CB-O 3.32Å; V308-L318 HydrophobicContact CG1-CD1 4.01Å; V308-A338 HydrophobicContact CG1-CB 4.22Å; V308-A338 HydrophobicContact CG2-CB 4.17Å; V308-I339 PolarHBondContact N-O 3.3Å; V308-I340 HydrophobicContact CG2-CB 4.39Å; V308-I340 HydrophobicContact CG2-CG1 3.87Å; V308-I340 CarbonylContact O-C 3.59Å; V308-I340 WeakPolarHBondContact O-CA 3.5Å; V308-R341 PolarHBondContact O-N 3.4Å
309R80.5Confident77.2Confident22 Ų2263.2 Ų63.28%0.08334%0.335CS..EExtended strand (participates in β ladder)trans-116.5161.9162.366.3168.9-173.5-164.6-3.3110.7S311 Y316 E317 I319 R341 F343 D344 E345 M348R309-S311 PolarHBondContact O-N 3.38Å; R309-Y316 CarbonylContact O-C 3.56Å; R309-Y316 WeakPolarHBondContact O-CA 3.42Å; R309-E317 HydrophobicContact CG-CB 3.97Å; R309-E317 IonicContact CZ-OE2 2.89Å; R309-E317 VanDerWaalsContact CZ-OE2 3.24Å; R309-E317 PolarHBondContact N-O 2.82Å; R309-E317 IonicContact NE-OE2 2.79Å; R309-E317 PolarHBondContact NE-OE2 3.32Å; R309-E317 IonicContact NH2-OE2 2.66Å; R309-E317 PolarHBondContact NH2-OE2 2.9Å; R309-E317 PolarHBondContact O-N 3.32Å; R309-I319 HydrophobicContact CB-CD1 3.97Å; R309-I319 HydrophobicContact CG-CD1 4.42Å; R309-R341 WeakPolarHBondContact CA-O 3.39Å; R309-R341 VanDerWaalsContact CB-O 3.26Å; R309-R341 WeakPolarHBondContact CB-O 3.42Å; R309-F343 WeakPolarHBondContact CD-O 3.45Å; R309-F343 PolarHBondContact NH1-O 2.99Å; R309-F343 VanDerWaalsContact NH1-O 3.15Å; R309-D344 VanDerWaalsContact NH1-C 3.35Å; R309-D344 PolarHBondContact NH1-O 2.79Å; R309-D344 VanDerWaalsContact NH1-O 3.16Å; R309-E345 VanDerWaalsContact NH1-CA 3.34Å; R309-M348 VanDerWaalsContact CD-CE 3.41Å; R309-M348 HydrophobicContact CG-CE 3.6Å; R309-M348 PolarHBondContact NH2-SD 2.99Å
310K83.5Confident76.6Confident137 Ų13756.6 Ų56.660%0.59631%0.31SS*.EExtended strand (participates in β ladder)trans-63.7125.9164.5-70176.9-177.7167.20108.6Y316 I340K310-Y316 HydrophobicContact CG-CD1 4.26Å; K310-Y316 HydrophobicContact CG-CE1 3.86Å; K310-I340 HydrophobicContact CG-CG2 4.13Å
311S79Confident76.5Confident15 Ų1554 Ų5411%0.10529%0.294CS..  trans-72.8154175.1177.70000109.7R309 V313 G315 E317R309-S311 PolarHBondContact O-N 3.38Å; S311-V313 CarbonylContact C-O 3.54Å; S311-V313 WeakPolarHBondContact CB-O 3.02Å; S311-V313 PolarHBondContact O-N 3.12Å; S311-V313 PolarHBondContact OG-N 3.5Å; S311-V313 PolarHBondContact OG-O 3.02Å; S311-G315 PolarHBondContact N-O 3.18Å; S311-G315 VanDerWaalsContact N-O 3.09Å; S311-E317 WeakPolarHBondContact CB-OE1 3.43Å; S311-E317 PolarHBondContact OG-OE1 2.71Å
312A69.4Low76.7Confident112 Ų11253.4 Ų53.493%0.92629%0.285SS*.SBendtrans-63.1-20.2168.300000111.8
313V72Confident76.9Confident78 Ų7856.9 Ų56.947%0.47330%0.295SS..SBendtrans-100.5159.9169.8-170.10000108.7R275 S311 G315R275-V313 VanDerWaalsContact NH1-CB 3.35Å; R275-V313 VanDerWaalsContact NH2-CG1 3.26Å; S311-V313 CarbonylContact C-O 3.54Å; S311-V313 WeakPolarHBondContact CB-O 3.02Å; S311-V313 PolarHBondContact O-N 3.12Å; S311-V313 PolarHBondContact OG-N 3.5Å; S311-V313 PolarHBondContact OG-O 3.02Å; V313-G315 PolarHBondContact O-N 3.5Å
314K75.5Confident77.6Confident186 Ų18650.3 Ų50.381%0.80927%0.265SS*.SBendtrans-48.4126.4173.8-172-176.8179.1-172.70111.2
315G86.2Confident79Confident16 Ų1645.2 Ų45.217%0.16524%0.241CC..SBendtrans116.6-157.817900000113.2D273 S311 V313D273-G315 CarbonylContact O-C 3.36Å; D273-G315 VanDerWaalsContact O-CA 3.3Å; D273-G315 WeakPolarHBondContact O-CA 3.34Å; S311-G315 PolarHBondContact N-O 3.18Å; S311-G315 VanDerWaalsContact N-O 3.09Å; V313-G315 PolarHBondContact O-N 3.5Å
316Y88.3Confident79.6Confident53 Ų5347.7 Ų47.721%0.20825%0.247CC..EExtended strand (participates in β ladder)trans-130.9145.1-174.7-62.6-85.7000110.8I269 D273 L274 R275 V308 R309 K310 I340I269-Y316 HydrophobicContact CD1-CD1 3.98Å; I269-Y316 HydrophobicContact CD1-CD2 3.73Å; I269-Y316 HydrophobicContact CD1-CE1 4.15Å; I269-Y316 HydrophobicContact CD1-CE2 3.88Å; I269-Y316 HydrophobicContact CD1-CG 3.77Å; I269-Y316 HydrophobicContact CG1-CD2 4.32Å; I269-Y316 HydrophobicContact CG1-CE2 4.21Å; I269-Y316 HydrophobicContact CG2-CD2 3.52Å; I269-Y316 HydrophobicContact CG2-CE2 3.93Å; I269-Y316 HydrophobicContact CG2-CG 4.32Å; D273-Y316 HydrophobicContact CB-CD2 4.38Å; D273-Y316 PolarHBondContact O-N 3.35Å; L274-Y316 CarbonylContact C-O 3.49Å; L274-Y316 WeakPolarHBondContact CA-O 3.49Å; R275-Y316 PolarHBondContact N-O 3.37Å; V308-Y316 HydrophobicContact CG2-CD1 3.9Å; V308-Y316 HydrophobicContact CG2-CG 4.25Å; R309-Y316 CarbonylContact O-C 3.56Å; R309-Y316 WeakPolarHBondContact O-CA 3.42Å; K310-Y316 HydrophobicContact CG-CD1 4.26Å; K310-Y316 HydrophobicContact CG-CE1 3.86Å; Y316-I340 HydrophobicContact CD1-CD1 4.34Å; Y316-I340 HydrophobicContact CD1-CG1 4.09Å; Y316-I340 HydrophobicContact CD1-CG2 4.47Å; Y316-I340 HydrophobicContact CE1-CD1 3.39Å; Y316-I340 HydrophobicContact CE1-CG1 3.61Å; Y316-I340 HydrophobicContact CE1-CG2 4.13Å
317E86Confident79.8Confident25 Ų2547.7 Ų47.712%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-107.3130.6174.4-84.9161.3-158.800109.9R275 V308 R309 S311 M348R275-E317 HydrophobicContact CB-CG 4.26Å; V308-E317 CarbonylContact C-O 3.4Å; V308-E317 WeakPolarHBondContact CA-O 3.49Å; V308-E317 WeakPolarHBondContact CB-O 3.32Å; R309-E317 HydrophobicContact CG-CB 3.97Å; R309-E317 IonicContact CZ-OE2 2.89Å; R309-E317 VanDerWaalsContact CZ-OE2 3.24Å; R309-E317 PolarHBondContact N-O 2.82Å; R309-E317 IonicContact NE-OE2 2.79Å; R309-E317 PolarHBondContact NE-OE2 3.32Å; R309-E317 IonicContact NH2-OE2 2.66Å; R309-E317 PolarHBondContact NH2-OE2 2.9Å; R309-E317 PolarHBondContact O-N 3.32Å; S311-E317 WeakPolarHBondContact CB-OE1 3.43Å; S311-E317 PolarHBondContact OG-OE1 2.71Å; E317-M348 HydrophobicContact CB-CE 3.98Å
318L81.2Confident80.3Confident2 Ų245.5 Ų45.51%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-68133.1178.2-162.976.3000110.7R275 N277 I306 V308 A320 E322 F325R275-L318 WeakPolarHBondContact O-CB 3.47Å; R275-L318 PolarHBondContact O-N 2.75Å; N277-L318 VanDerWaalsContact CB-O 3.25Å; N277-L318 WeakPolarHBondContact CB-O 3.37Å; I306-L318 HydrophobicContact CB-CD1 3.89Å; I306-L318 HydrophobicContact CD1-CD1 3.54Å; I306-L318 HydrophobicContact CG1-CD1 4.2Å; I306-L318 HydrophobicContact CG2-CD1 4.41Å; V308-L318 HydrophobicContact CG1-CD1 4.01Å; L318-A320 WeakPolarHBondContact CD1-O 3.33Å; L318-E322 HydrophobicContact CD2-CB 3.83Å; L318-E322 HydrophobicContact CD2-CG 4.5Å; L318-E322 WeakPolarHBondContact CD2-OE2 3.47Å; L318-F325 HydrophobicContact CD2-CB 4.22Å; L318-F325 HydrophobicContact CD2-CD1 4.49Å
319I72.1Confident80.5Confident11 Ų1150.7 Ų50.76%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-101.9-48.5170-64.4163.6000109.2I307 R309 F343 M348I307-I319 HydrophobicContact CB-CB 4.36Å; I307-I319 HydrophobicContact CG2-CB 4.05Å; I307-I319 HydrophobicContact CG2-CD1 4.02Å; I307-I319 HydrophobicContact CG2-CG2 4.36Å; I307-I319 PolarHBondContact O-N 2.93Å; R309-I319 HydrophobicContact CB-CD1 3.97Å; R309-I319 HydrophobicContact CG-CD1 4.42Å; I319-F343 HydrophobicContact CD1-CB 4.22Å; I319-F343 HydrophobicContact CD1-CD2 3.18Å; I319-F343 HydrophobicContact CD1-CE2 3.62Å; I319-F343 HydrophobicContact CD1-CG 3.87Å; I319-F343 HydrophobicContact CG1-CD2 4.47Å; I319-M348 HydrophobicContact CG1-CE 3.81Å
320A65.8Low80.9Confident36 Ų3654.2 Ų54.230%0.29828%0.278SS..EExtended strand (participates in β ladder)trans-142.9152.3-178.500000112I307 L318I307-A320 HydrophobicContact CB-CB 4.13Å; I307-A320 HydrophobicContact CD1-CB 4.22Å; I307-A320 HydrophobicContact CG1-CB 4.39Å; I307-A320 PolarHBondContact N-O 3.38Å; I307-A320 PolarHBondContact O-N 3.2Å; I307-A320 VanDerWaalsContact O-N 3.16Å; L318-A320 WeakPolarHBondContact CD1-O 3.33Å
321G71.9Confident81.1Confident15 Ų1548.4 Ų48.416%0.15526%0.256CS..  trans98.726.4178.500000115.1R323 R324 F325G321-R323 VanDerWaalsContact C-N 3.27Å; G321-R323 PolarHBondContact O-N 3.1Å; G321-R324 WeakPolarHBondContact O-CA 3.46Å; G321-R324 WeakPolarHBondContact O-CB 3.44Å; G321-R324 PolarHBondContact O-N 3.38Å; G321-F325 PolarHBondContact O-N 2.73Å
322E79.1Confident81.5Confident11 Ų1150.7 Ų50.75%0.05128%0.281CS..Hα-helixtrans-54.6-39.2-177.1-176.573.1-16400113.1Q280 F285 L318 F325 R326Q280-E322 HydrophobicContact CG-CG 4.35Å; F285-E322 HydrophobicContact CE1-CG 3.95Å; F285-E322 HydrophobicContact CZ-CG 3.69Å; L318-E322 HydrophobicContact CD2-CB 3.83Å; L318-E322 HydrophobicContact CD2-CG 4.5Å; L318-E322 WeakPolarHBondContact CD2-OE2 3.47Å; E322-F325 PolarHBondContact O-N 3.29Å; E322-R326 WeakPolarHBondContact O-CB 3.04Å; E322-R326 WeakPolarHBondContact O-CG 3.25Å; E322-R326 PolarHBondContact O-N 2.88Å; E322-R326 IonicContact OE1-CZ 3.47Å; E322-R326 VanDerWaalsContact OE1-CZ 3.28Å; E322-R326 IonicContact OE1-NE 3.81Å; E322-R326 PolarHBondContact OE1-NE 3.48Å; E322-R326 IonicContact OE1-NH2 2.64Å; E322-R326 PolarHBondContact OE1-NH2 3.42Å
323R80.1Confident82.4Confident97 Ų9748.9 Ų48.937%0.36625%0.253SS..Hα-helixtrans-64.3-40.6175.6-72-175.165.8179.1-1.8112.3F285 S289 L290 L293 G321 A327F285-R323 HydrophobicContact CD1-CG 4.13Å; F285-R323 HydrophobicContact CE1-CG 4.16Å; S289-R323 VanDerWaalsContact CB-NH2 3.33Å; S289-R323 PolarHBondContact O-NH2 3.16Å; S289-R323 PolarHBondContact OG-NH2 3.49Å; L290-R323 HydrophobicContact CD1-CB 4.43Å; L293-R323 HydrophobicContact CD2-CB 4.1Å; G321-R323 VanDerWaalsContact C-N 3.27Å; G321-R323 PolarHBondContact O-N 3.1Å; R323-A327 WeakPolarHBondContact O-CB 3.45Å; R323-A327 PolarHBondContact O-N 3.1Å
324R82.6Confident83.2Confident56 Ų5653.3 Ų53.321%0.21127%0.268CS..Hα-helixtrans-66-47176-75.6174.6-93.6152.4-6110.3Q304 P305 I306 G321 R326 A327 S328Q304-R324 VanDerWaalsContact C-NH1 3.29Å; Q304-R324 WeakPolarHBondContact O-CD 3.43Å; Q304-R324 PolarHBondContact O-NH1 2.77Å; P305-R324 VanDerWaalsContact C-NH1 3.28Å; P305-R324 PolarHBondContact O-NH1 2.84Å; I306-R324 HydrophobicContact CG2-CB 3.99Å; G321-R324 WeakPolarHBondContact O-CA 3.46Å; G321-R324 WeakPolarHBondContact O-CB 3.44Å; G321-R324 PolarHBondContact O-N 3.38Å; R324-R326 PolarHBondContact O-N 3.05Å; R324-A327 PolarHBondContact O-N 2.9Å; R324-S328 WeakPolarHBondContact O-CB 3.44Å; R324-S328 PolarHBondContact O-N 3.3Å; R324-S328 PolarHBondContact O-OG 3.32Å
325F86.8Confident84Confident2 Ų247.2 Ų47.21%0.00925%0.247CC..Hα-helixtrans-55.2-48.1174.9172.9-122.1000112.9L271 L274 P276 L318 G321 E322 K329L271-F325 HydrophobicContact CD2-CD2 3.58Å; L271-F325 HydrophobicContact CD2-CE2 3.73Å; L274-F325 HydrophobicContact CB-CD2 4.24Å; L274-F325 HydrophobicContact CB-CE2 3.5Å; L274-F325 VanDerWaalsContact CB-CE2 3.5Å; L274-F325 HydrophobicContact CB-CZ 3.88Å; L274-F325 HydrophobicContact CD1-CD2 4.03Å; L274-F325 HydrophobicContact CD1-CE2 3.98Å; L274-F325 HydrophobicContact CG-CE2 4.38Å; P276-F325 HydrophobicContact CG-CE1 4.33Å; L318-F325 HydrophobicContact CD2-CB 4.22Å; L318-F325 HydrophobicContact CD2-CD1 4.49Å; G321-F325 PolarHBondContact O-N 2.73Å; E322-F325 PolarHBondContact O-N 3.29Å; F325-K329 HydrophobicContact CE1-CD 4.5Å; F325-K329 HydrophobicContact CE2-CD 4.35Å; F325-K329 VanDerWaalsContact CE2-CE 3.49Å; F325-K329 HydrophobicContact CZ-CD 4.2Å; F325-K329 PolarHBondContact O-N 3.37Å; F325-K329 VanDerWaalsContact O-N 3.17Å
326R86.9Confident84.2Confident82 Ų8246.5 Ų46.531%0.30924%0.239SC..Hα-helixtrans-67.8-43.6178-70.8179.7-173.9-147.93.2112.6F285 L290 E322 R324 S328 K329 L330F285-R326 VanDerWaalsContact CE2-NH2 3.25Å; L290-R326 HydrophobicContact CD1-CB 3.94Å; L290-R326 HydrophobicContact CD2-CB 4.06Å; E322-R326 WeakPolarHBondContact O-CB 3.04Å; E322-R326 WeakPolarHBondContact O-CG 3.25Å; E322-R326 PolarHBondContact O-N 2.88Å; E322-R326 IonicContact OE1-CZ 3.47Å; E322-R326 VanDerWaalsContact OE1-CZ 3.28Å; E322-R326 IonicContact OE1-NE 3.81Å; E322-R326 PolarHBondContact OE1-NE 3.48Å; E322-R326 IonicContact OE1-NH2 2.64Å; E322-R326 PolarHBondContact OE1-NH2 3.42Å; R324-R326 PolarHBondContact O-N 3.05Å; R326-S328 VanDerWaalsContact C-N 3.33Å; R326-S328 PolarHBondContact O-N 3.03Å; R326-K329 WeakPolarHBondContact O-CB 3.41Å; R326-K329 PolarHBondContact O-N 2.9Å; R326-L330 PolarHBondContact O-N 3.44Å
327A85.5Confident84Confident0 Ų044.9 Ų44.90%024%0.235CC..Hα-helixtrans-66.1-35.4178.100000111.9L290 L293 A294 I297 R323 R324 K329 L330 A331L290-A327 HydrophobicContact CD1-CB 4.12Å; L293-A327 HydrophobicContact CB-CB 4Å; L293-A327 HydrophobicContact CD2-CB 3.73Å; L293-A327 HydrophobicContact CG-CB 3.65Å; A294-A327 HydrophobicContact CB-CB 4.23Å; A294-A327 WeakPolarHBondContact CB-O 3.32Å; I297-A327 HydrophobicContact CD1-CB 3.61Å; R323-A327 WeakPolarHBondContact O-CB 3.45Å; R323-A327 PolarHBondContact O-N 3.1Å; R324-A327 PolarHBondContact O-N 2.9Å; A327-K329 PolarHBondContact O-N 3.07Å; A327-L330 PolarHBondContact O-N 3.38Å; A327-A331 VanDerWaalsContact O-CB 3.26Å; A327-A331 WeakPolarHBondContact O-CB 3.2Å; A327-A331 PolarHBondContact O-N 3.25Å
328S88.9Confident84Confident0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-64.2-36.7172-64.70000112.8V302 R324 R326 A331 G332 K333 I336V302-S328 VanDerWaalsContact CG2-OG 3.24Å; V302-S328 WeakPolarHBondContact CG2-OG 3.27Å; R324-S328 WeakPolarHBondContact O-CB 3.44Å; R324-S328 PolarHBondContact O-N 3.3Å; R324-S328 PolarHBondContact O-OG 3.32Å; R326-S328 VanDerWaalsContact C-N 3.33Å; R326-S328 PolarHBondContact O-N 3.03Å; S328-A331 PolarHBondContact O-N 3.39Å; S328-G332 PolarHBondContact O-N 3.47Å; S328-K333 PolarHBondContact O-N 3.12Å; S328-I336 WeakPolarHBondContact OG-CD1 3.21Å
329K89.6Confident83.9Confident108 Ų10844 Ų4447%0.4723%0.231SC..Hα-helixtrans-64-42.7171.5-76.9-177.5170.9178.10111.9L271 F325 R326 A327 G332L271-K329 HydrophobicContact CD1-CG 3.95Å; F325-K329 HydrophobicContact CE1-CD 4.5Å; F325-K329 HydrophobicContact CE2-CD 4.35Å; F325-K329 VanDerWaalsContact CE2-CE 3.49Å; F325-K329 HydrophobicContact CZ-CD 4.2Å; F325-K329 PolarHBondContact O-N 3.37Å; F325-K329 VanDerWaalsContact O-N 3.17Å; R326-K329 WeakPolarHBondContact O-CB 3.41Å; R326-K329 PolarHBondContact O-N 2.9Å; A327-K329 PolarHBondContact O-N 3.07Å; K329-G332 PolarHBondContact O-N 3Å
330L88.9Confident84.4Confident96 Ų9645.4 Ų45.450%0.50324%0.238SC..Hα-helixtrans-67.7-36.9176.9-70.8172.4000112.3L290 A294 R326 A327 G332L290-L330 HydrophobicContact CD2-CD1 3.57Å; L290-L330 HydrophobicContact CG-CD1 3.75Å; A294-L330 HydrophobicContact CB-CB 3.75Å; R326-L330 PolarHBondContact O-N 3.44Å; A327-L330 PolarHBondContact O-N 3.38Å; L330-G332 PolarHBondContact O-N 3.3Å
331A87.3Confident84.7Confident16 Ų1648.3 Ų48.313%0.13224%0.241CC..THydrogen-bonded Turntrans-75.33.2176.300000113.8A294 I297 E298 A327 S328 K333A294-A331 HydrophobicContact CB-CB 4.33Å; A294-A331 WeakPolarHBondContact O-CB 3.44Å; I297-A331 HydrophobicContact CB-CB 4.3Å; I297-A331 HydrophobicContact CG2-CB 4.02Å; E298-A331 HydrophobicContact CB-CB 4.31Å; A327-A331 VanDerWaalsContact O-CB 3.26Å; A327-A331 WeakPolarHBondContact O-CB 3.2Å; A327-A331 PolarHBondContact O-N 3.25Å; S328-A331 PolarHBondContact O-N 3.39Å; A331-K333 VanDerWaalsContact C-N 3.3Å; A331-K333 HydrophobicContact CB-CG 4.45Å; A331-K333 PolarHBondContact O-N 3.45Å
332G87.9Confident84.6Confident62 Ų6256.5 Ų56.564%0.63928%0.276SS*.THydrogen-bonded Turntrans66.323.3177.100000115.2S328 K329 L330S328-G332 PolarHBondContact O-N 3.47Å; K329-G332 PolarHBondContact O-N 3Å; L330-G332 PolarHBondContact O-N 3.3Å
333K87.6Confident83.8Confident75 Ų7558.3 Ų58.333%0.32628%0.284SS..  trans-69.3148.6175.5-62-66.7-177.8-176.50110.2L271 I297 S328 A331L271-K333 HydrophobicContact CD1-CB 4.33Å; L271-K333 WeakPolarHBondContact CD1-O 3.46Å; I297-K333 HydrophobicContact CG2-CG 4.04Å; I297-K333 WeakPolarHBondContact O-CE 3.45Å; I297-K333 PolarHBondContact O-NZ 3.4Å; S328-K333 PolarHBondContact O-N 3.12Å; A331-K333 VanDerWaalsContact C-N 3.3Å; A331-K333 HydrophobicContact CB-CG 4.45Å; A331-K333 PolarHBondContact O-N 3.45Å
334E88.8Confident83.2Confident171 Ų17158.5 Ų58.580%0.79929%0.292SS*.SBendtrans-89.6-36.2174.2-64.7-173.2168.700111.7L271L271-E334 PolarHBondContact N-O 3.07Å
335T91.7Very high82.5Confident58 Ų5861.5 Ų61.536%0.35631%0.308SS..EExtended strand (participates in β ladder)trans-123.9161.4179.8640000111.4E268 I269E268-T335 HydrophobicContact CB-CG2 4.44Å; E268-T335 WeakPolarHBondContact OE2-CB 3.06Å; E268-T335 PolarHBondContact OE2-OG1 3.17Å; I269-T335 WeakPolarHBondContact O-CA 3.33Å
336I90Very high81.4Confident0 Ų067 Ų670%033%0.334CS..EExtended strand (participates in β ladder)trans-136.1136.4172.2-169.8169.4000109.4E268 I269 L271 L274 V302 I306 S328 A338E268-I336 PolarHBondContact OE2-N 3.3Å; I269-I336 PolarHBondContact N-O 2.85Å; I269-I336 PolarHBondContact O-N 3.14Å; L271-I336 HydrophobicContact CD2-CB 3.86Å; L271-I336 HydrophobicContact CD2-CD1 4.48Å; L271-I336 HydrophobicContact CD2-CG2 3.62Å; L274-I336 HydrophobicContact CD1-CG2 3.27Å; V302-I336 HydrophobicContact CB-CG1 4.41Å; V302-I336 HydrophobicContact CG1-CD1 4.49Å; V302-I336 HydrophobicContact CG1-CG1 4.24Å; V302-I336 HydrophobicContact CG2-CD1 4.34Å; V302-I336 HydrophobicContact CG2-CG1 4.09Å; I306-I336 HydrophobicContact CD1-CD1 4.14Å; I306-I336 HydrophobicContact CD1-CG1 4.43Å; I306-I336 HydrophobicContact CD1-CG2 3.59Å; I306-I336 HydrophobicContact CG1-CD1 4.3Å; I306-I336 HydrophobicContact CG1-CG1 4.36Å; I306-I336 HydrophobicContact CG1-CG2 4.2Å; I306-I336 HydrophobicContact CG2-CD1 3.64Å; I306-I336 HydrophobicContact CG2-CG1 4.34Å; S328-I336 WeakPolarHBondContact OG-CD1 3.21Å; I336-A338 PolarHBondContact O-N 3Å
337P85.6Confident80.3Confident19 Ų1964.5 Ų64.512%0.12333%0.331CS..EExtended strand (participates in β ladder)trans-64.1128.7174.323.6-33.4000109.6V266 E268 V302 P305 I306V266-P337 HydrophobicContact CG1-CB 3.79Å; E268-P337 WeakPolarHBondContact OE1-CA 3.37Å; E268-P337 VanDerWaalsContact OE1-CB 3.32Å; E268-P337 WeakPolarHBondContact OE1-CB 3.38Å; E268-P337 WeakPolarHBondContact OE1-CD 3.38Å; V302-P337 HydrophobicContact CB-CG 3.75Å; V302-P337 HydrophobicContact CG1-CG 3.94Å; V302-P337 WeakPolarHBondContact O-CG 3.35Å; P305-P337 CarbonylContact C-O 3.6Å; P305-P337 WeakPolarHBondContact CA-O 3.24Å; P305-P337 HydrophobicContact CB-CB 4.11Å; P305-P337 WeakPolarHBondContact CB-O 3.48Å; I306-P337 WeakPolarHBondContact CG1-O 3.22Å; I306-P337 PolarHBondContact N-O 3.21Å
338A84.9Confident79.4Confident0 Ų064.6 Ų64.60%033%0.331CS..EExtended strand (participates in β ladder)trans-140.4147.2-175.300000112.2V266 V267 I269 I306 V308 I336V266-A338 WeakPolarHBondContact CA-O 3.22Å; V267-A338 WeakPolarHBondContact CG2-O 3.43Å; V267-A338 PolarHBondContact N-O 3.5Å; V267-A338 PolarHBondContact O-N 2.81Å; I269-A338 HydrophobicContact CB-CB 4.37Å; I269-A338 HydrophobicContact CD1-CB 3.47Å; I269-A338 VanDerWaalsContact CD1-CB 3.47Å; I269-A338 HydrophobicContact CG1-CB 3.87Å; I306-A338 HydrophobicContact CD1-CB 4.08Å; I306-A338 HydrophobicContact CG1-CB 3.55Å; I306-A338 CarbonylContact O-C 3.59Å; I306-A338 VanDerWaalsContact O-CA 3.23Å; I306-A338 WeakPolarHBondContact O-CA 3.41Å; V308-A338 HydrophobicContact CG1-CB 4.22Å; V308-A338 HydrophobicContact CG2-CB 4.17Å; I336-A338 PolarHBondContact O-N 3Å
339I80Confident78.3Confident9 Ų965 Ų655%0.04633%0.333CS..EExtended strand (participates in β ladder)trans-103.5119.5172.1-65.9171.4000107.5V259 D264 V266 P305 I306 V308 R341V259-I339 HydrophobicContact CG1-CD1 3.53Å; D264-I339 HydrophobicContact CB-CG2 3.95Å; D264-I339 WeakPolarHBondContact OD2-CG2 3.3Å; V266-I339 HydrophobicContact CG2-CG1 4.14Å; P305-I339 HydrophobicContact CB-CD1 4.29Å; P305-I339 HydrophobicContact CB-CG1 4.02Å; P305-I339 HydrophobicContact CG-CD1 3.61Å; P305-I339 HydrophobicContact CG-CG1 3.84Å; I306-I339 PolarHBondContact O-N 3.4Å; V308-I339 PolarHBondContact N-O 3.3Å; I339-R341 HydrophobicContact CG2-CG 4.05Å
340I82.7Confident77.2Confident40 Ų4062.8 Ų62.821%0.20533%0.325CS..EExtended strand (participates in β ladder)trans-87.6116.1176.6-56.7163.8000108.7V267 I269 V308 K310 Y316V267-I340 HydrophobicContact CG2-CD1 3.49Å; V267-I340 VanDerWaalsContact CG2-CD1 3.49Å; V267-I340 HydrophobicContact CG2-CG1 3.76Å; I269-I340 HydrophobicContact CD1-CG1 4.13Å; V308-I340 HydrophobicContact CG2-CB 4.39Å; V308-I340 HydrophobicContact CG2-CG1 3.87Å; V308-I340 CarbonylContact O-C 3.59Å; V308-I340 WeakPolarHBondContact O-CA 3.5Å; K310-I340 HydrophobicContact CG-CG2 4.13Å; Y316-I340 HydrophobicContact CD1-CD1 4.34Å; Y316-I340 HydrophobicContact CD1-CG1 4.09Å; Y316-I340 HydrophobicContact CD1-CG2 4.47Å; Y316-I340 HydrophobicContact CE1-CD1 3.39Å; Y316-I340 HydrophobicContact CE1-CG1 3.61Å; Y316-I340 HydrophobicContact CE1-CG2 4.13Å
341R72.5Confident76Confident97 Ų9761.4 Ų61.437%0.36632%0.317SS..  trans-112.5146.8172.3-70.5-166.4171.4179.53.5111.7D264 I307 V308 R309 I339 F343D264-R341 IonicContact OD2-NE 2.69Å; D264-R341 PolarHBondContact OD2-NE 3.5Å; I307-R341 HydrophobicContact CG2-CG 4.3Å; V308-R341 PolarHBondContact O-N 3.4Å; R309-R341 WeakPolarHBondContact CA-O 3.39Å; R309-R341 VanDerWaalsContact CB-O 3.26Å; R309-R341 WeakPolarHBondContact CB-O 3.42Å; I339-R341 HydrophobicContact CG2-CG 4.05Å; R341-F343 HydrophobicContact CB-CD2 3.57Å; R341-F343 HydrophobicContact CB-CE2 3.42Å; R341-F343 VanDerWaalsContact CB-CE2 3.42Å; R341-F343 HydrophobicContact CG-CE2 4.17Å; R341-F343 PolarHBondContact O-N 3.24Å
342E68.4Low74.9Confident187 Ų18760.7 Ų60.787%0.87431%0.311SS*.  trans-81.9106170.1-62.8-164.116100109
343F64Low74Confident50 Ų5057.8 Ų57.822%0.21928%0.281CS..  trans-121.7126.4171.2-80.3-90000109.1R309 I319 R341 A347 I351R309-F343 WeakPolarHBondContact CD-O 3.45Å; R309-F343 PolarHBondContact NH1-O 2.99Å; R309-F343 VanDerWaalsContact NH1-O 3.15Å; I319-F343 HydrophobicContact CD1-CB 4.22Å; I319-F343 HydrophobicContact CD1-CD2 3.18Å; I319-F343 HydrophobicContact CD1-CE2 3.62Å; I319-F343 HydrophobicContact CD1-CG 3.87Å; I319-F343 HydrophobicContact CG1-CD2 4.47Å; R341-F343 HydrophobicContact CB-CD2 3.57Å; R341-F343 HydrophobicContact CB-CE2 3.42Å; R341-F343 VanDerWaalsContact CB-CE2 3.42Å; R341-F343 HydrophobicContact CG-CE2 4.17Å; R341-F343 PolarHBondContact O-N 3.24Å; F343-A347 HydrophobicContact CD1-CB 3.86Å; F343-I351 HydrophobicContact CD1-CD1 4.02Å; F343-I351 HydrophobicContact CE1-CD1 3.36Å; F343-I351 HydrophobicContact CZ-CD1 4Å
344D66.9Low73Confident101 Ų10156.1 Ų56.154%0.5428%0.275SS..  trans-67.1164.3164.664.727.3000110.7R309 E346 A347 M348R309-D344 VanDerWaalsContact NH1-C 3.35Å; R309-D344 PolarHBondContact NH1-O 2.79Å; R309-D344 VanDerWaalsContact NH1-O 3.16Å; D344-E346 VanDerWaalsContact C-N 3.25Å; D344-E346 PolarHBondContact O-N 3.01Å; D344-E346 PolarHBondContact OD1-N 3.33Å; D344-A347 PolarHBondContact O-N 2.71Å; D344-A347 WeakPolarHBondContact OD1-CB 3.39Å; D344-A347 PolarHBondContact OD1-N 2.84Å; D344-M348 PolarHBondContact O-N 3.44Å; D344-M348 VanDerWaalsContact O-N 3.12Å
345E67.1Low71.7Confident118 Ų11852 Ų5255%0.55126%0.256SS*.Hα-helixtrans-63.8-32.7-178-161.9174.1-177.100112.8Y279 R309 M349Y279-E345 PolarHBondContact OH-OE1 3.17Å; R309-E345 VanDerWaalsContact NH1-CA 3.34Å; E345-M349 VanDerWaalsContact O-CB 3.28Å; E345-M349 WeakPolarHBondContact O-CB 3.49Å; E345-M349 PolarHBondContact O-N 3.12Å
346E65.2Low70.3Confident118 Ų11850.9 Ų50.955%0.55125%0.248SC*.Hα-helixtrans-65-48.6177.6-68.3-170.6-178.300111.4D344 M349 Q350 L378D344-E346 VanDerWaalsContact C-N 3.25Å; D344-E346 PolarHBondContact O-N 3.01Å; D344-E346 PolarHBondContact OD1-N 3.33Å; E346-M349 PolarHBondContact O-N 3.08Å; E346-Q350 VanDerWaalsContact O-CB 3.31Å; E346-Q350 WeakPolarHBondContact O-CB 3.41Å; E346-Q350 PolarHBondContact O-N 2.88Å; E346-L378 HydrophobicContact CB-CD2 3.58Å; E346-L378 HydrophobicContact CG-CD2 3.86Å
347A63.5Low69.3Low30 Ų3052.4 Ų52.425%0.24826%0.256CS..Hα-helixtrans-66.6-41.7179.200000112F343 D344 M349 Q350 I351F343-A347 HydrophobicContact CD1-CB 3.86Å; D344-A347 PolarHBondContact O-N 2.71Å; D344-A347 WeakPolarHBondContact OD1-CB 3.39Å; D344-A347 PolarHBondContact OD1-N 2.84Å; A347-M349 VanDerWaalsContact C-N 3.33Å; A347-M349 PolarHBondContact O-N 3.04Å; A347-Q350 PolarHBondContact O-N 2.75Å; A347-I351 WeakPolarHBondContact O-CG1 3.45Å; A347-I351 PolarHBondContact O-N 3.22Å
348M66.2Low68.2Low2 Ų257.8 Ų57.81%0.0128%0.28CS..Hα-helixtrans-58.8-47.9175.3176-173.1-89.300110.9Y279 R309 E317 I319 D344 Q350 I351 A352Y279-M348 HydrophobicContact CD2-SD 4.3Å; R309-M348 VanDerWaalsContact CD-CE 3.41Å; R309-M348 HydrophobicContact CG-CE 3.6Å; R309-M348 PolarHBondContact NH2-SD 2.99Å; E317-M348 HydrophobicContact CB-CE 3.98Å; I319-M348 HydrophobicContact CG1-CE 3.81Å; D344-M348 PolarHBondContact O-N 3.44Å; D344-M348 VanDerWaalsContact O-N 3.12Å; M348-Q350 VanDerWaalsContact C-N 3.34Å; M348-I351 PolarHBondContact O-N 3.4Å; M348-A352 WeakPolarHBondContact O-CB 3.47Å; M348-A352 PolarHBondContact O-N 3.17Å
349M66.3Low67.2Low7 Ų761.2 Ų61.23%0.03429%0.292CS..Hα-helixtrans-66.4-41.2-178.8-176.7-176.3152.900111.1Y279 E345 E346 A347 I351 A352 V353 M373 N377Y279-M349 HydrophobicContact CD1-CG 4.49Å; Y279-M349 HydrophobicContact CD2-CB 4.37Å; Y279-M349 HydrophobicContact CE2-CB 4.34Å; Y279-M349 HydrophobicContact CG-CG 4.49Å; E345-M349 VanDerWaalsContact O-CB 3.28Å; E345-M349 WeakPolarHBondContact O-CB 3.49Å; E345-M349 PolarHBondContact O-N 3.12Å; E346-M349 PolarHBondContact O-N 3.08Å; A347-M349 VanDerWaalsContact C-N 3.33Å; A347-M349 PolarHBondContact O-N 3.04Å; M349-I351 VanDerWaalsContact C-N 3.34Å; M349-I351 PolarHBondContact O-N 3.24Å; M349-A352 PolarHBondContact O-N 2.97Å; M349-V353 HydrophobicContact CE-CG2 4.08Å; M349-V353 HydrophobicContact CG-CG2 4.25Å; M349-V353 VanDerWaalsContact O-CG2 3.29Å; M349-V353 WeakPolarHBondContact O-CG2 3.36Å; M349-V353 PolarHBondContact O-N 3.27Å; M349-M373 HydrophobicContact CE-CB 4.32Å; M349-M373 HydrophobicContact CE-CE 3.61Å; M349-M373 HydrophobicContact CE-CG 3.18Å; M349-M373 VanDerWaalsContact CE-O 3.26Å; M349-M373 WeakPolarHBondContact CE-O 3.45Å; M349-M373 HydrophobicContact CE-SD 4.2Å; M349-M373 HydrophobicContact CG-CE 4.21Å; M349-M373 HydrophobicContact SD-CE 4.25Å; M349-N377 HydrophobicContact CE-CB 3.36Å; M349-N377 WeakPolarHBondContact CE-ND2 3.35Å; M349-N377 HydrophobicContact SD-CB 3.27Å; M349-N377 WeakPolarHBondContact SD-CB 3.39Å; M349-N377 PolarHBondContact SD-ND2 3.25Å
350Q66.3Low65.8Low63 Ų6367.5 Ų67.529%0.29432%0.322SS..Hα-helixtrans-58.1-47.6176.3-177.8172.5-21.500111E346 A347 M348 A352 V353 L354 L378E346-Q350 VanDerWaalsContact O-CB 3.31Å; E346-Q350 WeakPolarHBondContact O-CB 3.41Å; E346-Q350 PolarHBondContact O-N 2.88Å; A347-Q350 PolarHBondContact O-N 2.75Å; M348-Q350 VanDerWaalsContact C-N 3.34Å; Q350-A352 PolarHBondContact O-N 3.43Å; Q350-V353 PolarHBondContact O-N 3.46Å; Q350-L354 HydrophobicContact CG-CD1 3.77Å; Q350-L354 HydrophobicContact CG-CG 4.33Å; Q350-L354 WeakPolarHBondContact O-CB 3.35Å; Q350-L354 WeakPolarHBondContact O-CG 3.48Å; Q350-L354 PolarHBondContact O-N 3.46Å; Q350-L378 HydrophobicContact CB-CD1 4.04Å; Q350-L378 HydrophobicContact CG-CD1 4.31Å
351I64Low64.7Low66 Ų6670.9 Ų70.934%0.33834%0.34SS..Hα-helixtrans-60.6-47.4177.5-70.2168.8000110.7F343 A347 M348 M349 V353 L354 E355F343-I351 HydrophobicContact CD1-CD1 4.02Å; F343-I351 HydrophobicContact CE1-CD1 3.36Å; F343-I351 HydrophobicContact CZ-CD1 4Å; A347-I351 WeakPolarHBondContact O-CG1 3.45Å; A347-I351 PolarHBondContact O-N 3.22Å; M348-I351 PolarHBondContact O-N 3.4Å; M349-I351 VanDerWaalsContact C-N 3.34Å; M349-I351 PolarHBondContact O-N 3.24Å; I351-V353 VanDerWaalsContact C-N 3.33Å; I351-V353 PolarHBondContact O-N 3.28Å; I351-L354 PolarHBondContact O-N 3.4Å; I351-E355 WeakPolarHBondContact O-CB 3.29Å; I351-E355 PolarHBondContact O-N 3.2Å
352A64.2Low64.6Low1 Ų167.8 Ų67.81%0.00833%0.331CS..Hα-helixtrans-62.3-39.2-179.900000112.6P281 M348 M349 Q350 N356P281-A352 WeakPolarHBondContact CG-O 3.4Å; M348-A352 WeakPolarHBondContact O-CB 3.47Å; M348-A352 PolarHBondContact O-N 3.17Å; M349-A352 PolarHBondContact O-N 2.97Å; Q350-A352 PolarHBondContact O-N 3.43Å; A352-N356 WeakPolarHBondContact O-CB 3.42Å; A352-N356 PolarHBondContact O-N 3.05Å; A352-N356 VanDerWaalsContact O-N 3.09Å; A352-N356 PolarHBondContact O-ND2 3.16Å
353V67.4Low65.2Low2 Ų260.1 Ų60.11%0.01230%0.296CS..Hα-helixtrans-74.8-34.2178.1-178.60000111.7M349 Q350 I351 N356 L357 A370 M373 L374M349-V353 HydrophobicContact CE-CG2 4.08Å; M349-V353 HydrophobicContact CG-CG2 4.25Å; M349-V353 VanDerWaalsContact O-CG2 3.29Å; M349-V353 WeakPolarHBondContact O-CG2 3.36Å; M349-V353 PolarHBondContact O-N 3.27Å; Q350-V353 PolarHBondContact O-N 3.46Å; I351-V353 VanDerWaalsContact C-N 3.33Å; I351-V353 PolarHBondContact O-N 3.28Å; V353-N356 WeakPolarHBondContact O-CB 3.47Å; V353-N356 PolarHBondContact O-N 3.45Å; V353-L357 HydrophobicContact CG1-CD1 4.1Å; V353-L357 HydrophobicContact CG1-CG 4.5Å; V353-L357 WeakPolarHBondContact O-CB 3.14Å; V353-L357 WeakPolarHBondContact O-CG 3.5Å; V353-L357 PolarHBondContact O-N 2.92Å; V353-A370 HydrophobicContact CG1-CB 3.8Å; V353-M373 HydrophobicContact CG2-CE 4.09Å; V353-M373 HydrophobicContact CG2-CG 4.07Å; V353-M373 HydrophobicContact CG2-SD 4.04Å; V353-L374 HydrophobicContact CB-CD2 3.88Å; V353-L374 HydrophobicContact CB-CG 4.19Å; V353-L374 HydrophobicContact CG1-CD1 3.98Å; V353-L374 HydrophobicContact CG1-CD2 3.87Å; V353-L374 HydrophobicContact CG1-CG 3.6Å; V353-L374 HydrophobicContact CG2-CD2 4.44Å
354L66.4Low66.1Low39 Ų3959.3 Ų59.320%0.20430%0.296CS..Hα-helixtrans-68-44.6174.8-73.1172.6000111.8Q350 I351 N356 L357 Q358 L389Q350-L354 HydrophobicContact CG-CD1 3.77Å; Q350-L354 HydrophobicContact CG-CG 4.33Å; Q350-L354 WeakPolarHBondContact O-CB 3.35Å; Q350-L354 WeakPolarHBondContact O-CG 3.48Å; Q350-L354 PolarHBondContact O-N 3.46Å; I351-L354 PolarHBondContact O-N 3.4Å; L354-N356 VanDerWaalsContact C-N 3.27Å; L354-N356 PolarHBondContact O-N 2.92Å; L354-L357 PolarHBondContact O-N 2.92Å; L354-L357 VanDerWaalsContact O-N 3.15Å; L354-Q358 WeakPolarHBondContact O-CG 3.46Å; L354-Q358 PolarHBondContact O-N 2.89Å; L354-L389 HydrophobicContact CD2-CD2 3.4Å
355E61.9Low67Low84 Ų8454.9 Ų54.939%0.39327%0.272SS..Hα-helixtrans-60.9-39.2174.7-169.6-170.6164.800111P281 I351 Q358P281-E355 HydrophobicContact CG-CB 4.39Å; I351-E355 WeakPolarHBondContact O-CB 3.29Å; I351-E355 PolarHBondContact O-N 3.2Å; E355-Q358 PolarHBondContact O-N 3.2Å
356N63.6Low67.9Low36 Ų3653.2 Ų53.219%0.19326%0.264CS..Hα-helixtrans-56.8-55.2170-92.4-56.5000111.5P281 A352 V353 L354 Q358 R359 L362P281-N356 WeakPolarHBondContact CA-ND2 3.29Å; P281-N356 WeakPolarHBondContact CA-OD1 3.37Å; P281-N356 HydrophobicContact CB-CB 4.37Å; P281-N356 WeakPolarHBondContact CB-OD1 3.41Å; P281-N356 WeakPolarHBondContact CG-ND2 3.48Å; P281-N356 PolarHBondContact O-OD1 3.37Å; A352-N356 WeakPolarHBondContact O-CB 3.42Å; A352-N356 PolarHBondContact O-N 3.05Å; A352-N356 VanDerWaalsContact O-N 3.09Å; A352-N356 PolarHBondContact O-ND2 3.16Å; V353-N356 WeakPolarHBondContact O-CB 3.47Å; V353-N356 PolarHBondContact O-N 3.45Å; L354-N356 VanDerWaalsContact C-N 3.27Å; L354-N356 PolarHBondContact O-N 2.92Å; N356-Q358 PolarHBondContact O-N 2.92Å; N356-R359 VanDerWaalsContact O-CB 3.29Å; N356-R359 WeakPolarHBondContact O-CB 3.33Å; N356-R359 VanDerWaalsContact O-CG 3.27Å; N356-R359 WeakPolarHBondContact O-CG 3.24Å; N356-R359 PolarHBondContact O-N 2.88Å; N356-R359 VanDerWaalsContact O-N 3.08Å; N356-L362 WeakPolarHBondContact O-CD1 3.23Å
357L67.9Low68.9Low31 Ų3148.8 Ų48.816%0.16224%0.243CC..Hα-helixtrans-62.5-23.2-176.7-80.2167000113.9V353 L354 R359 L362 E367 A370 Y371 L374 L389V353-L357 HydrophobicContact CG1-CD1 4.1Å; V353-L357 HydrophobicContact CG1-CG 4.5Å; V353-L357 WeakPolarHBondContact O-CB 3.14Å; V353-L357 WeakPolarHBondContact O-CG 3.5Å; V353-L357 PolarHBondContact O-N 2.92Å; L354-L357 PolarHBondContact O-N 2.92Å; L354-L357 VanDerWaalsContact O-N 3.15Å; L357-R359 PolarHBondContact O-N 3.36Å; L357-L362 HydrophobicContact CD2-CD2 4.36Å; L357-E367 HydrophobicContact CD2-CG 3.72Å; L357-A370 HydrophobicContact CD1-CB 4.19Å; L357-A370 HydrophobicContact CD2-CB 3.67Å; L357-A370 HydrophobicContact CG-CB 3.76Å; L357-Y371 HydrophobicContact CD1-CD1 4.07Å; L357-Y371 HydrophobicContact CD1-CE1 3.81Å; L357-Y371 HydrophobicContact CD2-CD1 4.05Å; L357-Y371 HydrophobicContact CD2-CE1 3.45Å; L357-Y371 VanDerWaalsContact CD2-CE1 3.45Å; L357-Y371 HydrophobicContact CG-CE1 4.3Å; L357-L374 HydrophobicContact CD1-CD1 4.01Å; L357-L389 HydrophobicContact CD1-CD1 3.99Å; L357-L389 HydrophobicContact CD1-CD2 3.99Å
358Q62.7Low70.1Confident133 Ų13347.4 Ų47.462%0.62123%0.232SC*.THydrogen-bonded Turntrans-79.8-2.4177.1-74.2177.7-2.500113.7L354 E355 N356L354-Q358 WeakPolarHBondContact O-CG 3.46Å; L354-Q358 PolarHBondContact O-N 2.89Å; E355-Q358 PolarHBondContact O-N 3.2Å; N356-Q358 PolarHBondContact O-N 2.92Å
359R64.8Low71.2Confident71 Ų7152.4 Ų52.427%0.26826%0.255SS..  trans-71.8136.2175.8-66.9-178.666.5175.9-3.2111.2P281 N356 L357 D361 L362P281-R359 PolarHBondContact O-NH1 3.27Å; N356-R359 VanDerWaalsContact O-CB 3.29Å; N356-R359 WeakPolarHBondContact O-CB 3.33Å; N356-R359 VanDerWaalsContact O-CG 3.27Å; N356-R359 WeakPolarHBondContact O-CG 3.24Å; N356-R359 PolarHBondContact O-N 2.88Å; N356-R359 VanDerWaalsContact O-N 3.08Å; L357-R359 PolarHBondContact O-N 3.36Å; R359-D361 VanDerWaalsContact C-N 3.32Å; R359-D361 WeakPolarHBondContact CB-OD1 3.43Å; R359-D361 IonicContact CZ-OD1 3.97Å; R359-D361 IonicContact CZ-OD2 3.25Å; R359-D361 IonicContact NE-OD1 2.65Å; R359-D361 PolarHBondContact NE-OD1 3.4Å; R359-D361 IonicContact NH2-OD1 3.29Å; R359-D361 IonicContact NH2-OD2 2.56Å; R359-D361 PolarHBondContact NH2-OD2 2.89Å; R359-D361 PolarHBondContact O-N 3.05Å; R359-L362 HydrophobicContact CB-CD1 4.12Å
360E50.2Low72.1Confident142 Ų14252.6 Ų52.666%0.66426%0.258SS*.THydrogen-bonded Turntrans-75.9-21.3-177.9-59.1-162.1122.400114.3R166R166-E360 VanDerWaalsContact CZ-CD 3.42Å; R166-E360 IonicContact CZ-OE1 2.79Å; R166-E360 IonicContact CZ-OE2 3.28Å; R166-E360 IonicContact NE-OE1 3.59Å; R166-E360 IonicContact NH1-OE1 3.52Å; R166-E360 PolarHBondContact NH1-OE1 3.23Å; R166-E360 IonicContact NH1-OE2 3.44Å; R166-E360 PolarHBondContact NH1-OE2 3.25Å; R166-E360 IonicContact NH2-OE1 3.55Å; R166-E360 PolarHBondContact NH2-OE1 2.95Å
361D58.8Low73.2Confident111 Ų11149.8 Ų49.859%0.59425%0.245SC*.THydrogen-bonded Turntrans-96.614.6-175.860.6-36.5000113R359 N363R359-D361 VanDerWaalsContact C-N 3.32Å; R359-D361 WeakPolarHBondContact CB-OD1 3.43Å; R359-D361 IonicContact CZ-OD1 3.97Å; R359-D361 IonicContact CZ-OD2 3.25Å; R359-D361 IonicContact NE-OD1 2.65Å; R359-D361 PolarHBondContact NE-OD1 3.4Å; R359-D361 IonicContact NH2-OD1 3.29Å; R359-D361 IonicContact NH2-OD2 2.56Å; R359-D361 PolarHBondContact NH2-OD2 2.89Å; R359-D361 PolarHBondContact O-N 3.05Å; D361-N363 PolarHBondContact O-N 2.91Å
362L71Confident74.4Confident32 Ų3250.1 Ų50.117%0.16825%0.245CC..  trans-72.4124-172.9-147.5106.3000111N356 L357 R359 E366 E367N356-L362 WeakPolarHBondContact O-CD1 3.23Å; L357-L362 HydrophobicContact CD2-CD2 4.36Å; R359-L362 HydrophobicContact CB-CD1 4.12Å; L362-E366 HydrophobicContact CD1-CB 4.37Å; L362-E366 HydrophobicContact CD2-CB 3.85Å; L362-E366 HydrophobicContact CG-CB 3.72Å; L362-E367 HydrophobicContact CD2-CB 3.49Å; L362-E367 VanDerWaalsContact CD2-CB 3.49Å; L362-E367 HydrophobicContact CD2-CG 3.86Å
363N79.8Confident75.4Confident26 Ų2653 Ų5314%0.13926%0.259CS..  trans-73.3155.8177.979.249.5000110.6D361 L365 E366 E367D361-N363 PolarHBondContact O-N 2.91Å; N363-L365 PolarHBondContact O-N 3.41Å; N363-L365 WeakPolarHBondContact OD1-CA 3.07Å; N363-L365 WeakPolarHBondContact OD1-CB 3.48Å; N363-L365 PolarHBondContact OD1-N 2.85Å; N363-E366 PolarHBondContact N-OE2 3Å; N363-E366 VanDerWaalsContact ND2-CG 3.32Å; N363-E366 WeakPolarHBondContact ND2-CG 3.43Å; N363-E366 PolarHBondContact ND2-OE1 3.26Å; N363-E366 PolarHBondContact ND2-OE2 3.35Å; N363-E366 PolarHBondContact O-N 3.12Å; N363-E366 VanDerWaalsContact O-N 3.1Å; N363-E366 PolarHBondContact OD1-N 3.09Å; N363-E367 PolarHBondContact O-N 2.66Å; N363-E367 VanDerWaalsContact O-N 3.09Å
364P83.2Confident76.2Confident33 Ų3353.3 Ų53.321%0.21426%0.26CS..Hα-helixtrans-59.4-22.8-176.4-26.934.7000115.3A368 Y399 L402 V413 M420P364-A368 PolarHBondContact O-N 2.78Å; P364-Y399 HydrophobicContact CB-CE1 4.16Å; P364-Y399 VanDerWaalsContact O-CD1 3.32Å; P364-Y399 WeakPolarHBondContact O-CD1 3.33Å; P364-L402 HydrophobicContact CB-CD1 4.08Å; P364-V413 HydrophobicContact CB-CG1 4.38Å; P364-V413 HydrophobicContact CG-CG1 4.43Å; P364-M420 HydrophobicContact CB-CB 4.21Å; P364-M420 HydrophobicContact CB-CG 4.04Å; P364-M420 HydrophobicContact CG-CB 4.03Å; P364-M420 HydrophobicContact CG-CG 4.38Å
365L87.4Confident77.2Confident8 Ų853.6 Ų53.64%0.04226%0.261CS..Hα-helixtrans-82.3-39.7177.1-70.5168.5000111.9N363 E367 A368 E369 L402 L403 K410 V413 Q414N363-L365 PolarHBondContact O-N 3.41Å; N363-L365 WeakPolarHBondContact OD1-CA 3.07Å; N363-L365 WeakPolarHBondContact OD1-CB 3.48Å; N363-L365 PolarHBondContact OD1-N 2.85Å; L365-E367 VanDerWaalsContact C-N 3.25Å; L365-E367 PolarHBondContact O-N 3.29Å; L365-A368 WeakPolarHBondContact O-CB 3.42Å; L365-A368 PolarHBondContact O-N 3.37Å; L365-E369 WeakPolarHBondContact O-CB 3.47Å; L365-E369 WeakPolarHBondContact O-CG 3.15Å; L365-E369 PolarHBondContact O-N 2.89Å; L365-L402 HydrophobicContact CD2-CB 3.94Å; L365-L403 HydrophobicContact CD2-CD2 4.44Å; L365-K410 HydrophobicContact CD1-CB 3.64Å; L365-K410 HydrophobicContact CD1-CG 4.19Å; L365-K410 WeakPolarHBondContact CD1-O 3.33Å; L365-K410 HydrophobicContact CD2-CB 4.37Å; L365-K410 HydrophobicContact CD2-CD 3.97Å; L365-K410 HydrophobicContact CD2-CG 3.99Å; L365-V413 HydrophobicContact CD1-CB 4.12Å; L365-V413 HydrophobicContact CD1-CG1 4.32Å; L365-V413 HydrophobicContact CG-CG1 4.25Å; L365-Q414 HydrophobicContact CD1-CB 4.31Å
366E84.3Confident78.4Confident83 Ų8355.6 Ų55.639%0.38827%0.268SS..Hα-helixtrans-59.2-39.8172.3-75.2168.7165.600110.5L362 N363 A368 E369 A370L362-E366 HydrophobicContact CD1-CB 4.37Å; L362-E366 HydrophobicContact CD2-CB 3.85Å; L362-E366 HydrophobicContact CG-CB 3.72Å; N363-E366 PolarHBondContact N-OE2 3Å; N363-E366 VanDerWaalsContact ND2-CG 3.32Å; N363-E366 WeakPolarHBondContact ND2-CG 3.43Å; N363-E366 PolarHBondContact ND2-OE1 3.26Å; N363-E366 PolarHBondContact ND2-OE2 3.35Å; N363-E366 PolarHBondContact O-N 3.12Å; N363-E366 VanDerWaalsContact O-N 3.1Å; N363-E366 PolarHBondContact OD1-N 3.09Å; E366-A368 VanDerWaalsContact C-N 3.33Å; E366-A368 PolarHBondContact O-N 2.76Å; E366-E369 PolarHBondContact O-N 3.07Å; E366-A370 WeakPolarHBondContact O-CB 3.46Å; E366-A370 PolarHBondContact O-N 2.9Å
367E86.5Confident79.1Confident25 Ų2557.7 Ų57.712%0.11728%0.279CS..Hα-helixtrans-63.9-43.3177.3-152-176.2143.700110.3L357 L362 N363 L365 A370 Y371 Y395 Y399L357-E367 HydrophobicContact CD2-CG 3.72Å; L362-E367 HydrophobicContact CD2-CB 3.49Å; L362-E367 VanDerWaalsContact CD2-CB 3.49Å; L362-E367 HydrophobicContact CD2-CG 3.86Å; N363-E367 PolarHBondContact O-N 2.66Å; N363-E367 VanDerWaalsContact O-N 3.09Å; L365-E367 VanDerWaalsContact C-N 3.25Å; L365-E367 PolarHBondContact O-N 3.29Å; E367-A370 PolarHBondContact O-N 3.39Å; E367-Y371 HydrophobicContact CG-CE1 4.26Å; E367-Y371 HydrophobicContact CG-CE2 3.89Å; E367-Y371 WeakPolarHBondContact CG-OH 3.24Å; E367-Y371 WeakPolarHBondContact O-CD1 3.15Å; E367-Y371 WeakPolarHBondContact O-CD2 3.26Å; E367-Y371 VanDerWaalsContact O-CG 3.22Å; E367-Y371 PolarHBondContact O-N 2.76Å; E367-Y371 PolarHBondContact OE1-OH 2.82Å; E367-Y395 WeakPolarHBondContact OE1-CE1 3.43Å; E367-Y395 PolarHBondContact OE1-OH 2.98Å; E367-Y399 HydrophobicContact CB-CD1 3.75Å; E367-Y399 HydrophobicContact CB-CE1 3.63Å; E367-Y399 HydrophobicContact CG-CD1 4.18Å; E367-Y399 HydrophobicContact CG-CE1 3.94Å; E367-Y399 WeakPolarHBondContact OE2-CE1 3.33Å; E367-Y399 PolarHBondContact OE2-OH 2.93Å
368A90.1Very high79.6Confident0 Ų057 Ų570%028%0.276CS..Hα-helixtrans-67.2-39.7177.600000112.5P364 L365 E366 Y371 E372 Y399 L403P364-A368 PolarHBondContact O-N 2.78Å; L365-A368 WeakPolarHBondContact O-CB 3.42Å; L365-A368 PolarHBondContact O-N 3.37Å; E366-A368 VanDerWaalsContact C-N 3.33Å; E366-A368 PolarHBondContact O-N 2.76Å; A368-Y371 PolarHBondContact O-N 3.47Å; A368-E372 PolarHBondContact O-N 3.22Å; A368-Y399 HydrophobicContact CB-CD1 4.38Å; A368-Y399 WeakPolarHBondContact CB-O 3.27Å; A368-L403 HydrophobicContact CB-CD1 4.28Å; A368-L403 HydrophobicContact CB-CD2 3.75Å; A368-L403 HydrophobicContact CB-CG 3.81Å
369E88.4Confident80.7Confident107 Ų10759.8 Ų59.850%0.529%0.286SS..Hα-helixtrans-63.9-41.6175.6-74.5179.4-179.600111.1L365 E366 Y371 E372 M373 L403L365-E369 WeakPolarHBondContact O-CB 3.47Å; L365-E369 WeakPolarHBondContact O-CG 3.15Å; L365-E369 PolarHBondContact O-N 2.89Å; E366-E369 PolarHBondContact O-N 3.07Å; E369-Y371 PolarHBondContact O-N 3.31Å; E369-E372 PolarHBondContact O-N 3.16Å; E369-M373 WeakPolarHBondContact O-CB 3.24Å; E369-M373 PolarHBondContact O-N 3.45Å; E369-L403 HydrophobicContact CG-CD2 3.65Å
370A85.6Confident81.7Confident11 Ų1157.2 Ų57.29%0.09128%0.278CS..Hα-helixtrans-60.9-43.4174.100000112V353 L357 E366 E367 M373 L374V353-A370 HydrophobicContact CG1-CB 3.8Å; L357-A370 HydrophobicContact CD1-CB 4.19Å; L357-A370 HydrophobicContact CD2-CB 3.67Å; L357-A370 HydrophobicContact CG-CB 3.76Å; E366-A370 WeakPolarHBondContact O-CB 3.46Å; E366-A370 PolarHBondContact O-N 2.9Å; E367-A370 PolarHBondContact O-N 3.39Å; A370-M373 PolarHBondContact O-N 2.93Å; A370-L374 WeakPolarHBondContact O-CG 3.29Å; A370-L374 PolarHBondContact O-N 2.9Å
371Y89Confident83.6Confident5 Ų554 Ų542%0.0227%0.268CS..Hα-helixtrans-62.7-44.3174.3-61-21.5000112.3L357 E367 A368 E369 M373 L374 M375 V385 L389 Y395 I396 Y399L357-Y371 HydrophobicContact CD1-CD1 4.07Å; L357-Y371 HydrophobicContact CD1-CE1 3.81Å; L357-Y371 HydrophobicContact CD2-CD1 4.05Å; L357-Y371 HydrophobicContact CD2-CE1 3.45Å; L357-Y371 VanDerWaalsContact CD2-CE1 3.45Å; L357-Y371 HydrophobicContact CG-CE1 4.3Å; E367-Y371 HydrophobicContact CG-CE1 4.26Å; E367-Y371 HydrophobicContact CG-CE2 3.89Å; E367-Y371 WeakPolarHBondContact CG-OH 3.24Å; E367-Y371 WeakPolarHBondContact O-CD1 3.15Å; E367-Y371 WeakPolarHBondContact O-CD2 3.26Å; E367-Y371 VanDerWaalsContact O-CG 3.22Å; E367-Y371 PolarHBondContact O-N 2.76Å; E367-Y371 PolarHBondContact OE1-OH 2.82Å; A368-Y371 PolarHBondContact O-N 3.47Å; E369-Y371 PolarHBondContact O-N 3.31Å; Y371-M373 VanDerWaalsContact C-N 3.28Å; Y371-M373 PolarHBondContact O-N 3.12Å; Y371-L374 PolarHBondContact O-N 3.33Å; Y371-M375 WeakPolarHBondContact O-CG 3.4Å; Y371-M375 PolarHBondContact O-N 3.34Å; Y371-V385 HydrophobicContact CD1-CG1 4.19Å; Y371-L389 HydrophobicContact CD1-CD1 3.58Å; Y371-L389 HydrophobicContact CE1-CD1 3.17Å; Y371-Y395 HydrophobicContact CE2-CE1 4.23Å; Y371-I396 HydrophobicContact CD1-CD1 4.23Å; Y371-I396 HydrophobicContact CD2-CD1 3.84Å; Y371-I396 HydrophobicContact CD2-CG2 4.25Å; Y371-I396 HydrophobicContact CE1-CD1 4Å; Y371-I396 HydrophobicContact CE2-CD1 3.59Å; Y371-I396 HydrophobicContact CG-CD1 4.15Å; Y371-I396 HydrophobicContact CG-CG2 4.43Å; Y371-Y399 HydrophobicContact CD2-CG 4.42Å; Y371-Y399 HydrophobicContact CE2-CD1 4.32Å; Y371-Y399 HydrophobicContact CE2-CD2 4.45Å; Y371-Y399 AromaticContact CE2-CG 3.98Å; Y371-Y399 HydrophobicContact CE2-CG 3.98Å
372E89.1Confident85.1Confident73 Ų7352 Ų5234%0.34126%0.255SS..Hα-helixtrans-63.3-38.7177.9-163.4-170.6-144.700111.3A368 E369 M375 K376 L400 L403A368-E372 PolarHBondContact O-N 3.22Å; E369-E372 PolarHBondContact O-N 3.16Å; E372-M375 PolarHBondContact O-N 3.36Å; E372-K376 VanDerWaalsContact CD-CE 3.43Å; E372-K376 HydrophobicContact CG-CD 4.07Å; E372-K376 HydrophobicContact CG-CG 4.41Å; E372-K376 WeakPolarHBondContact O-CB 3.43Å; E372-K376 WeakPolarHBondContact O-CG 3.46Å; E372-K376 PolarHBondContact O-N 2.89Å; E372-K376 WeakPolarHBondContact OE1-CE 3.09Å; E372-K376 IonicContact OE1-NZ 3.84Å; E372-K376 PolarHBondContact OE1-NZ 3.05Å; E372-K376 IonicContact OE2-NZ 3.02Å; E372-K376 PolarHBondContact OE2-NZ 3.32Å; E372-L400 HydrophobicContact CB-CD2 3.87Å; E372-L403 HydrophobicContact CB-CD1 3.73Å; E372-L403 HydrophobicContact CG-CD1 4.16Å
373M84.9Confident85.9Confident62 Ų6252.3 Ų52.331%0.30526%0.262SS..Hα-helixtrans-65.4-44.5178178.7165.3-179.800111.9Y279 M349 V353 E369 A370 Y371 M375 N377Y279-M373 HydrophobicContact CD1-CE 3.55Å; Y279-M373 HydrophobicContact CE1-CE 4.08Å; Y279-M373 HydrophobicContact CG-CE 4.42Å; M349-M373 HydrophobicContact CE-CB 4.32Å; M349-M373 HydrophobicContact CE-CE 3.61Å; M349-M373 HydrophobicContact CE-CG 3.18Å; M349-M373 VanDerWaalsContact CE-O 3.26Å; M349-M373 WeakPolarHBondContact CE-O 3.45Å; M349-M373 HydrophobicContact CE-SD 4.2Å; M349-M373 HydrophobicContact CG-CE 4.21Å; M349-M373 HydrophobicContact SD-CE 4.25Å; V353-M373 HydrophobicContact CG2-CE 4.09Å; V353-M373 HydrophobicContact CG2-CG 4.07Å; V353-M373 HydrophobicContact CG2-SD 4.04Å; E369-M373 WeakPolarHBondContact O-CB 3.24Å; E369-M373 PolarHBondContact O-N 3.45Å; A370-M373 PolarHBondContact O-N 2.93Å; Y371-M373 VanDerWaalsContact C-N 3.28Å; Y371-M373 PolarHBondContact O-N 3.12Å; M373-M375 PolarHBondContact O-N 3.14Å; M373-N377 WeakPolarHBondContact O-CB 3.48Å; M373-N377 PolarHBondContact O-N 2.9Å; M373-N377 VanDerWaalsContact O-N 3.13Å
374L84Confident86.2Confident8 Ų854 Ų544%0.04227%0.271CS..Hα-helixtrans-58.1-46.6171.2-73.1171.4000111.5V353 L357 A370 Y371 L378 V385 L389V353-L374 HydrophobicContact CB-CD2 3.88Å; V353-L374 HydrophobicContact CB-CG 4.19Å; V353-L374 HydrophobicContact CG1-CD1 3.98Å; V353-L374 HydrophobicContact CG1-CD2 3.87Å; V353-L374 HydrophobicContact CG1-CG 3.6Å; V353-L374 HydrophobicContact CG2-CD2 4.44Å; L357-L374 HydrophobicContact CD1-CD1 4.01Å; A370-L374 WeakPolarHBondContact O-CG 3.29Å; A370-L374 PolarHBondContact O-N 2.9Å; Y371-L374 PolarHBondContact O-N 3.33Å; L374-L378 HydrophobicContact CD2-CD1 3.81Å; L374-L378 VanDerWaalsContact O-CB 3.28Å; L374-L378 WeakPolarHBondContact O-CB 3.15Å; L374-L378 PolarHBondContact O-N 3.05Å; L374-V385 HydrophobicContact CB-CG2 4.18Å; L374-V385 HydrophobicContact CD1-CG1 4.31Å; L374-L389 HydrophobicContact CD1-CD1 4.38Å
375M89Confident86.3Confident44 Ų4452.5 Ų52.522%0.21726%0.261CS..Hα-helixtrans-64.4-46.2-178.9-71.5-178.659.800112.9Y371 E372 M373 K379 L380 Q382 V385 L400Y371-M375 WeakPolarHBondContact O-CG 3.4Å; Y371-M375 PolarHBondContact O-N 3.34Å; E372-M375 PolarHBondContact O-N 3.36Å; M373-M375 PolarHBondContact O-N 3.14Å; M375-K379 CarbonylContact O-C 3.51Å; M375-K379 WeakPolarHBondContact O-CA 3.45Å; M375-K379 PolarHBondContact O-N 3.42Å; M375-K379 VanDerWaalsContact O-N 3.12Å; M375-L380 WeakPolarHBondContact CB-O 3.48Å; M375-L380 WeakPolarHBondContact CG-O 3.34Å; M375-L380 PolarHBondContact O-N 2.79Å; M375-L380 VanDerWaalsContact O-N 3.15Å; M375-Q382 HydrophobicContact CE-CG 3.61Å; M375-Q382 HydrophobicContact SD-CG 3.7Å; M375-V385 HydrophobicContact CG-CG2 3.6Å; M375-L400 HydrophobicContact SD-CD1 3.49Å; M375-L400 WeakPolarHBondContact SD-CD1 3.34Å; M375-L400 HydrophobicContact SD-CD2 4.48Å
376K85.8Confident86.1Confident127 Ų12752.2 Ų52.255%0.55226%0.26SS*.Hα-helixtrans-66.4-45.8-176.5-79176.9178.8164.90111.9E372E372-K376 VanDerWaalsContact CD-CE 3.43Å; E372-K376 HydrophobicContact CG-CD 4.07Å; E372-K376 HydrophobicContact CG-CG 4.41Å; E372-K376 WeakPolarHBondContact O-CB 3.43Å; E372-K376 WeakPolarHBondContact O-CG 3.46Å; E372-K376 PolarHBondContact O-N 2.89Å; E372-K376 WeakPolarHBondContact OE1-CE 3.09Å; E372-K376 IonicContact OE1-NZ 3.84Å; E372-K376 PolarHBondContact OE1-NZ 3.05Å; E372-K376 IonicContact OE2-NZ 3.02Å; E372-K376 PolarHBondContact OE2-NZ 3.32Å
377N79.3Confident85.7Confident79 Ų7954.3 Ų54.342%0.42227%0.273SS..Hα-helixtrans-90.4-32.9-168.4-65.61.4000112.4M349 M373M349-N377 HydrophobicContact CE-CB 3.36Å; M349-N377 WeakPolarHBondContact CE-ND2 3.35Å; M349-N377 HydrophobicContact SD-CB 3.27Å; M349-N377 WeakPolarHBondContact SD-CB 3.39Å; M349-N377 PolarHBondContact SD-ND2 3.25Å; M373-N377 WeakPolarHBondContact O-CB 3.48Å; M373-N377 PolarHBondContact O-N 2.9Å; M373-N377 VanDerWaalsContact O-N 3.13Å
378L78.5Confident85.3Confident18 Ų1859.2 Ų59.29%0.09429%0.291CS..THydrogen-bonded Turntrans-95.16.7175.8-54.9177.2000112.6E346 Q350 L374 L380E346-L378 HydrophobicContact CB-CD2 3.58Å; E346-L378 HydrophobicContact CG-CD2 3.86Å; Q350-L378 HydrophobicContact CB-CD1 4.04Å; Q350-L378 HydrophobicContact CG-CD1 4.31Å; L374-L378 HydrophobicContact CD2-CD1 3.81Å; L374-L378 VanDerWaalsContact O-CB 3.28Å; L374-L378 WeakPolarHBondContact O-CB 3.15Å; L374-L378 PolarHBondContact O-N 3.05Å; L378-L380 HydrophobicContact CB-CD1 3.77Å; L378-L380 HydrophobicContact CB-CD2 4.3Å; L378-L380 HydrophobicContact CB-CG 3.64Å; L378-L380 HydrophobicContact CD1-CD1 3.97Å; L378-L380 PolarHBondContact O-N 3.11Å; L378-L380 VanDerWaalsContact O-N 3.13Å
379K84.3Confident84.6Confident191 Ų19161 Ų6183%0.8330%0.3SS*.THydrogen-bonded Turntrans51.335.3-178.3-59.5177.3-175.8168.10113.4M375M375-K379 CarbonylContact O-C 3.51Å; M375-K379 WeakPolarHBondContact O-CA 3.45Å; M375-K379 PolarHBondContact O-N 3.42Å; M375-K379 VanDerWaalsContact O-N 3.12Å
380L86.6Confident83.9Confident17 Ų1756.8 Ų56.89%0.08929%0.285CS..  trans-84.7144.7-177.1-59.2175.3000111.4M375 L378 D384 V385M375-L380 WeakPolarHBondContact CB-O 3.48Å; M375-L380 WeakPolarHBondContact CG-O 3.34Å; M375-L380 PolarHBondContact O-N 2.79Å; M375-L380 VanDerWaalsContact O-N 3.15Å; L378-L380 HydrophobicContact CB-CD1 3.77Å; L378-L380 HydrophobicContact CB-CD2 4.3Å; L378-L380 HydrophobicContact CB-CG 3.64Å; L378-L380 HydrophobicContact CD1-CD1 3.97Å; L378-L380 PolarHBondContact O-N 3.11Å; L378-L380 VanDerWaalsContact O-N 3.13Å; L380-D384 HydrophobicContact CB-CB 4Å; L380-D384 HydrophobicContact CD2-CB 4.05Å; L380-D384 HydrophobicContact CG-CB 4.49Å; L380-V385 HydrophobicContact CB-CG2 3.81Å; L380-V385 HydrophobicContact CD1-CG2 3.99Å
381T90.3Very high83.5Confident74 Ų7460.9 Ų60.945%0.45430%0.301SS..  trans-77.8164.8167.272.20000110.6A383 D384 V385T381-A383 PolarHBondContact O-N 2.99Å; T381-A383 PolarHBondContact OG1-N 3.26Å; T381-D384 VanDerWaalsContact CB-OD2 3.3Å; T381-D384 WeakPolarHBondContact CB-OD2 3.42Å; T381-D384 WeakPolarHBondContact CG2-OD2 3.27Å; T381-D384 PolarHBondContact N-OD2 2.95Å; T381-D384 PolarHBondContact O-N 2.72Å; T381-D384 VanDerWaalsContact O-N 3.1Å; T381-D384 PolarHBondContact OG1-N 2.91Å; T381-D384 PolarHBondContact OG1-OD2 2.62Å; T381-V385 PolarHBondContact O-N 2.83Å
382Q90.7Very high83.1Confident70 Ų7063.8 Ų63.833%0.32732%0.323SS..Hα-helixtrans-58.3-29.8172-65-178.35.900112.2M375 A386 R393 I396 L400M375-Q382 HydrophobicContact CE-CG 3.61Å; M375-Q382 HydrophobicContact SD-CG 3.7Å; Q382-A386 WeakPolarHBondContact O-CB 3.49Å; Q382-A386 PolarHBondContact O-N 2.73Å; Q382-R393 HydrophobicContact CB-CG 4.32Å; Q382-I396 HydrophobicContact CB-CG2 4.43Å; Q382-L400 HydrophobicContact CG-CD1 3.76Å
383A86.9Confident83Confident38 Ų3868.2 Ų68.231%0.31434%0.336SS..Hα-helixtrans-71.4-39.8176.800000111.3T381 A386 N387T381-A383 PolarHBondContact O-N 2.99Å; T381-A383 PolarHBondContact OG1-N 3.26Å; A383-A386 PolarHBondContact O-N 3.49Å; A383-N387 WeakPolarHBondContact O-CB 3.39Å; A383-N387 PolarHBondContact O-N 2.65Å; A383-N387 PolarHBondContact O-ND2 3.03Å
384D86.3Confident83.1Confident62 Ų6269 Ų6933%0.33235%0.346SS..Hα-helixtrans-66.1-44177.1-56.1-46000111.2L380 T381 N387 R388L380-D384 HydrophobicContact CB-CB 4Å; L380-D384 HydrophobicContact CD2-CB 4.05Å; L380-D384 HydrophobicContact CG-CB 4.49Å; T381-D384 VanDerWaalsContact CB-OD2 3.3Å; T381-D384 WeakPolarHBondContact CB-OD2 3.42Å; T381-D384 WeakPolarHBondContact CG2-OD2 3.27Å; T381-D384 PolarHBondContact N-OD2 2.95Å; T381-D384 PolarHBondContact O-N 2.72Å; T381-D384 VanDerWaalsContact O-N 3.1Å; T381-D384 PolarHBondContact OG1-N 2.91Å; T381-D384 PolarHBondContact OG1-OD2 2.62Å; D384-N387 PolarHBondContact O-N 3.35Å; D384-R388 WeakPolarHBondContact O-CB 3.39Å; D384-R388 VanDerWaalsContact O-CG 3.23Å; D384-R388 WeakPolarHBondContact O-CG 3.26Å; D384-R388 PolarHBondContact O-N 2.95Å
385V84.7Confident83Confident1 Ų171.7 Ų71.71%0.00636%0.356CS..Hα-helixtrans-63-43.9174.9175.90000111Y371 L374 M375 L380 T381 N387 R388 L389 I396Y371-V385 HydrophobicContact CD1-CG1 4.19Å; L374-V385 HydrophobicContact CB-CG2 4.18Å; L374-V385 HydrophobicContact CD1-CG1 4.31Å; M375-V385 HydrophobicContact CG-CG2 3.6Å; L380-V385 HydrophobicContact CB-CG2 3.81Å; L380-V385 HydrophobicContact CD1-CG2 3.99Å; T381-V385 PolarHBondContact O-N 2.83Å; V385-N387 PolarHBondContact O-N 3.17Å; V385-R388 PolarHBondContact O-N 3.11Å; V385-L389 HydrophobicContact CG1-CD1 3.6Å; V385-L389 HydrophobicContact CG1-CG 4.26Å; V385-L389 WeakPolarHBondContact O-CB 3.02Å; V385-L389 VanDerWaalsContact O-CG 3.3Å; V385-L389 WeakPolarHBondContact O-CG 3.39Å; V385-L389 PolarHBondContact O-N 2.76Å; V385-I396 HydrophobicContact CG1-CD1 4.14Å; V385-I396 HydrophobicContact CG1-CG1 4.49Å; V385-I396 HydrophobicContact CG1-CG2 4.29Å
386A84.9Confident82.9Confident1 Ų169.6 Ų69.61%0.00835%0.346CS..Hα-helixtrans-58.5-47.8176.200000111.8Q382 A383 L389 G390 K391 R393 I396Q382-A386 WeakPolarHBondContact O-CB 3.49Å; Q382-A386 PolarHBondContact O-N 2.73Å; A383-A386 PolarHBondContact O-N 3.49Å; A386-L389 PolarHBondContact O-N 2.94Å; A386-G390 PolarHBondContact O-N 3.43Å; A386-K391 CarbonylContact C-O 3.32Å; A386-K391 WeakPolarHBondContact CB-O 3.42Å; A386-K391 PolarHBondContact O-N 2.82Å; A386-K391 VanDerWaalsContact O-O 3.05Å; A386-R393 HydrophobicContact CB-CB 4.46Å; A386-I396 HydrophobicContact CB-CG1 3.81Å
387N75.2Confident83.1Confident127 Ų12764.6 Ų64.668%0.67933%0.328SS*.Hα-helixtrans-63-46178-70.9-17.1000111.7A383 D384 V385 L389 G390A383-N387 WeakPolarHBondContact O-CB 3.39Å; A383-N387 PolarHBondContact O-N 2.65Å; A383-N387 PolarHBondContact O-ND2 3.03Å; D384-N387 PolarHBondContact O-N 3.35Å; V385-N387 PolarHBondContact O-N 3.17Å; N387-L389 VanDerWaalsContact C-N 3.33Å; N387-L389 PolarHBondContact O-N 3.03Å; N387-G390 PolarHBondContact O-N 3.3Å
388R78.2Confident83.5Confident129 Ų12962.7 Ų62.749%0.48732%0.318SS..Hα-helixtrans-64.4-35.6-179.8-74.5177.9-173.6-1550.3113.1D384 V385D384-R388 WeakPolarHBondContact O-CB 3.39Å; D384-R388 VanDerWaalsContact O-CG 3.23Å; D384-R388 WeakPolarHBondContact O-CG 3.26Å; D384-R388 PolarHBondContact O-N 2.95Å; V385-R388 PolarHBondContact O-N 3.11Å
389L75.5Confident84Confident36 Ų3662.9 Ų62.919%0.18832%0.318CS..THydrogen-bonded Turntrans-93.4-1.4-180-61.5178.8000113.2L354 L357 Y371 L374 V385 A386 N387 K391 I396L354-L389 HydrophobicContact CD2-CD2 3.4Å; L357-L389 HydrophobicContact CD1-CD1 3.99Å; L357-L389 HydrophobicContact CD1-CD2 3.99Å; Y371-L389 HydrophobicContact CD1-CD1 3.58Å; Y371-L389 HydrophobicContact CE1-CD1 3.17Å; L374-L389 HydrophobicContact CD1-CD1 4.38Å; V385-L389 HydrophobicContact CG1-CD1 3.6Å; V385-L389 HydrophobicContact CG1-CG 4.26Å; V385-L389 WeakPolarHBondContact O-CB 3.02Å; V385-L389 VanDerWaalsContact O-CG 3.3Å; V385-L389 WeakPolarHBondContact O-CG 3.39Å; V385-L389 PolarHBondContact O-N 2.76Å; A386-L389 PolarHBondContact O-N 2.94Å; N387-L389 VanDerWaalsContact C-N 3.33Å; N387-L389 PolarHBondContact O-N 3.03Å; L389-K391 HydrophobicContact CB-CG 4.19Å; L389-K391 PolarHBondContact O-N 2.85Å; L389-I396 HydrophobicContact CD1-CD1 4.19Å
390G72.3Confident84.4Confident19 Ų1954.8 Ų54.820%0.19628%0.283CS..THydrogen-bonded Turntrans6723.5-179.200000114.6R202 A386 N387R202-G390 PolarHBondContact NH1-O 2.62Å; A386-G390 PolarHBondContact O-N 3.43Å; N387-G390 PolarHBondContact O-N 3.3Å
391K78.5Confident84.7Confident97 Ų9759 Ų5942%0.42230%0.298SS..  trans-105.4165.5179.4-58.9-63.9-178.3175.30110.3A386 L389 Y395 I396A386-K391 CarbonylContact C-O 3.32Å; A386-K391 WeakPolarHBondContact CB-O 3.42Å; A386-K391 PolarHBondContact O-N 2.82Å; A386-K391 VanDerWaalsContact O-O 3.05Å; L389-K391 HydrophobicContact CB-CG 4.19Å; L389-K391 PolarHBondContact O-N 2.85Å; K391-Y395 HydrophobicContact CB-CD1 3.79Å; K391-Y395 HydrophobicContact CB-CE1 4.38Å; K391-Y395 HydrophobicContact CB-CG 4.3Å; K391-Y395 HydrophobicContact CD-CD1 4.14Å; K391-Y395 HydrophobicContact CD-CE1 3.98Å; K391-Y395 HydrophobicContact CG-CD1 3.91Å; K391-Y395 HydrophobicContact CG-CE1 3.98Å; K391-I396 HydrophobicContact CB-CD1 4.09Å; K391-I396 HydrophobicContact CB-CG1 4.36Å; K391-I396 HydrophobicContact CG-CD1 4.45Å
392S80.1Confident84.7Confident67 Ų6755.5 Ų55.547%0.46928%0.277SS..  trans-79.7147.917574.50000111.2P394 Y395 I396S392-P394 VanDerWaalsContact C-CD 3.47Å; S392-P394 VanDerWaalsContact C-N 3.3Å; S392-Y395 WeakPolarHBondContact O-CA 3.37Å; S392-Y395 VanDerWaalsContact O-CB 3.27Å; S392-Y395 WeakPolarHBondContact O-CB 3.28Å; S392-Y395 PolarHBondContact O-N 3.33Å; S392-Y395 WeakPolarHBondContact OG-CB 3.35Å; S392-Y395 PolarHBondContact OG-N 3.18Å; S392-I396 PolarHBondContact O-N 3.35Å
393R87.3Confident84.7Confident165 Ų16553.3 Ų53.362%0.62327%0.267SS*.Hα-helixtrans-52.9-42.2173-167.4-169.380.7-177.43.5112.6Q382 A386 Y395 I396 A397Q382-R393 HydrophobicContact CB-CG 4.32Å; A386-R393 HydrophobicContact CB-CB 4.46Å; R393-Y395 VanDerWaalsContact C-N 3.29Å; R393-Y395 PolarHBondContact O-N 3.48Å; R393-I396 PolarHBondContact O-N 2.89Å; R393-A397 WeakPolarHBondContact O-CB 3.38Å; R393-A397 PolarHBondContact O-N 3.22Å
394P86.1Confident84.9Confident80 Ų8056.2 Ų56.252%0.51928%0.281SS..Hα-helixtrans-61-33.4173.3-25.135.9000114.1S392 N398S392-P394 VanDerWaalsContact C-CD 3.47Å; S392-P394 VanDerWaalsContact C-N 3.3Å; P394-N398 WeakPolarHBondContact O-CB 3.36Å; P394-N398 PolarHBondContact O-N 2.97Å; P394-N398 PolarHBondContact O-ND2 2.87Å; P394-N398 VanDerWaalsContact O-ND2 3.09Å
395Y83.1Confident85.2Confident64 Ų6453.6 Ų53.625%0.25127%0.267SS..Hα-helixtrans-63.3-55.3176.2179.4-83.6000110.6E367 Y371 K391 S392 R393 A397 N398 Y399E367-Y395 WeakPolarHBondContact OE1-CE1 3.43Å; E367-Y395 PolarHBondContact OE1-OH 2.98Å; Y371-Y395 HydrophobicContact CE2-CE1 4.23Å; K391-Y395 HydrophobicContact CB-CD1 3.79Å; K391-Y395 HydrophobicContact CB-CE1 4.38Å; K391-Y395 HydrophobicContact CB-CG 4.3Å; K391-Y395 HydrophobicContact CD-CD1 4.14Å; K391-Y395 HydrophobicContact CD-CE1 3.98Å; K391-Y395 HydrophobicContact CG-CD1 3.91Å; K391-Y395 HydrophobicContact CG-CE1 3.98Å; S392-Y395 WeakPolarHBondContact O-CA 3.37Å; S392-Y395 VanDerWaalsContact O-CB 3.27Å; S392-Y395 WeakPolarHBondContact O-CB 3.28Å; S392-Y395 PolarHBondContact O-N 3.33Å; S392-Y395 WeakPolarHBondContact OG-CB 3.35Å; S392-Y395 PolarHBondContact OG-N 3.18Å; R393-Y395 VanDerWaalsContact C-N 3.29Å; R393-Y395 PolarHBondContact O-N 3.48Å; Y395-A397 VanDerWaalsContact C-N 3.29Å; Y395-A397 PolarHBondContact O-N 3.44Å; Y395-N398 WeakPolarHBondContact O-CB 3.48Å; Y395-N398 PolarHBondContact O-N 2.83Å; Y395-Y399 HydrophobicContact CD1-CD2 4.16Å; Y395-Y399 HydrophobicContact CD1-CE2 4.27Å; Y395-Y399 HydrophobicContact CD2-CE2 4.27Å; Y395-Y399 AromaticContact CE1-CD2 3.85Å; Y395-Y399 HydrophobicContact CE1-CD2 3.85Å; Y395-Y399 AromaticContact CE1-CE2 3.64Å; Y395-Y399 HydrophobicContact CE1-CE2 3.64Å; Y395-Y399 HydrophobicContact CE2-CD2 4.43Å; Y395-Y399 AromaticContact CE2-CE2 3.67Å; Y395-Y399 HydrophobicContact CE2-CE2 3.67Å; Y395-Y399 AromaticContact CZ-CE2 3.3Å; Y395-Y399 AromaticContact CZ-CZ 3.86Å; Y395-Y399 WeakPolarHBondContact O-CD2 3.3Å; Y395-Y399 PolarHBondContact O-N 2.99Å; Y395-Y399 WeakPolarHBondContact OH-CE2 3.37Å; Y395-Y399 PolarHBondContact OH-OH 3.03Å; Y395-Y399 VanDerWaalsContact OH-OH 3.13Å
396I87.1Confident85.6Confident0 Ų055.8 Ų55.80%028%0.281CS..Hα-helixtrans-57.7-43.7177.7-58.3-60.8000111Y371 Q382 V385 A386 L389 K391 S392 R393 N398 Y399 L400Y371-I396 HydrophobicContact CD1-CD1 4.23Å; Y371-I396 HydrophobicContact CD2-CD1 3.84Å; Y371-I396 HydrophobicContact CD2-CG2 4.25Å; Y371-I396 HydrophobicContact CE1-CD1 4Å; Y371-I396 HydrophobicContact CE2-CD1 3.59Å; Y371-I396 HydrophobicContact CG-CD1 4.15Å; Y371-I396 HydrophobicContact CG-CG2 4.43Å; Q382-I396 HydrophobicContact CB-CG2 4.43Å; V385-I396 HydrophobicContact CG1-CD1 4.14Å; V385-I396 HydrophobicContact CG1-CG1 4.49Å; V385-I396 HydrophobicContact CG1-CG2 4.29Å; A386-I396 HydrophobicContact CB-CG1 3.81Å; L389-I396 HydrophobicContact CD1-CD1 4.19Å; K391-I396 HydrophobicContact CB-CD1 4.09Å; K391-I396 HydrophobicContact CB-CG1 4.36Å; K391-I396 HydrophobicContact CG-CD1 4.45Å; S392-I396 PolarHBondContact O-N 3.35Å; R393-I396 PolarHBondContact O-N 2.89Å; I396-N398 VanDerWaalsContact C-N 3.32Å; I396-N398 PolarHBondContact O-N 2.82Å; I396-Y399 PolarHBondContact O-N 3.39Å; I396-L400 HydrophobicContact CG2-CD1 3.82Å; I396-L400 HydrophobicContact CG2-CG 4.32Å; I396-L400 WeakPolarHBondContact O-CG 3.37Å; I396-L400 PolarHBondContact O-N 3.18Å
397A89.9Confident85.9Confident22 Ų2263.1 Ų63.118%0.18231%0.313CS..Hα-helixtrans-60.9-38.2177.600000112.8R393 Y395 R401R393-A397 WeakPolarHBondContact O-CB 3.38Å; R393-A397 PolarHBondContact O-N 3.22Å; Y395-A397 VanDerWaalsContact C-N 3.29Å; Y395-A397 PolarHBondContact O-N 3.44Å; A397-R401 WeakPolarHBondContact O-CD 3.31Å; A397-R401 WeakPolarHBondContact O-CG 3.44Å; A397-R401 PolarHBondContact O-N 2.87Å
398N86.9Confident86.7Confident39 Ų3961.3 Ų61.321%0.20930%0.303CS..Hα-helixtrans-65.2-40.8178.3-75.3-30.8000111.9P394 Y395 I396P394-N398 WeakPolarHBondContact O-CB 3.36Å; P394-N398 PolarHBondContact O-N 2.97Å; P394-N398 PolarHBondContact O-ND2 2.87Å; P394-N398 VanDerWaalsContact O-ND2 3.09Å; Y395-N398 WeakPolarHBondContact O-CB 3.48Å; Y395-N398 PolarHBondContact O-N 2.83Å; I396-N398 VanDerWaalsContact C-N 3.32Å; I396-N398 PolarHBondContact O-N 2.82Å
399Y90.2Very high87.4Confident22 Ų2255.2 Ų55.29%0.08628%0.28CS..Hα-helixtrans-66.8-50.7177-88.1-98.1000112.1P364 E367 A368 Y371 Y395 I396 R401 L402 M420P364-Y399 HydrophobicContact CB-CE1 4.16Å; P364-Y399 VanDerWaalsContact O-CD1 3.32Å; P364-Y399 WeakPolarHBondContact O-CD1 3.33Å; E367-Y399 HydrophobicContact CB-CD1 3.75Å; E367-Y399 HydrophobicContact CB-CE1 3.63Å; E367-Y399 HydrophobicContact CG-CD1 4.18Å; E367-Y399 HydrophobicContact CG-CE1 3.94Å; E367-Y399 WeakPolarHBondContact OE2-CE1 3.33Å; E367-Y399 PolarHBondContact OE2-OH 2.93Å; A368-Y399 HydrophobicContact CB-CD1 4.38Å; A368-Y399 WeakPolarHBondContact CB-O 3.27Å; Y371-Y399 HydrophobicContact CD2-CG 4.42Å; Y371-Y399 HydrophobicContact CE2-CD1 4.32Å; Y371-Y399 HydrophobicContact CE2-CD2 4.45Å; Y371-Y399 AromaticContact CE2-CG 3.98Å; Y371-Y399 HydrophobicContact CE2-CG 3.98Å; Y395-Y399 HydrophobicContact CD1-CD2 4.16Å; Y395-Y399 HydrophobicContact CD1-CE2 4.27Å; Y395-Y399 HydrophobicContact CD2-CE2 4.27Å; Y395-Y399 AromaticContact CE1-CD2 3.85Å; Y395-Y399 HydrophobicContact CE1-CD2 3.85Å; Y395-Y399 AromaticContact CE1-CE2 3.64Å; Y395-Y399 HydrophobicContact CE1-CE2 3.64Å; Y395-Y399 HydrophobicContact CE2-CD2 4.43Å; Y395-Y399 AromaticContact CE2-CE2 3.67Å; Y395-Y399 HydrophobicContact CE2-CE2 3.67Å; Y395-Y399 AromaticContact CZ-CE2 3.3Å; Y395-Y399 AromaticContact CZ-CZ 3.86Å; Y395-Y399 WeakPolarHBondContact O-CD2 3.3Å; Y395-Y399 PolarHBondContact O-N 2.99Å; Y395-Y399 WeakPolarHBondContact OH-CE2 3.37Å; Y395-Y399 PolarHBondContact OH-OH 3.03Å; Y395-Y399 VanDerWaalsContact OH-OH 3.13Å; I396-Y399 PolarHBondContact O-N 3.39Å; Y399-R401 PolarHBondContact O-N 3.34Å; Y399-R401 VanDerWaalsContact O-N 3.12Å; Y399-L402 HydrophobicContact CD1-CD1 4.42Å; Y399-L402 WeakPolarHBondContact O-CB 3.28Å; Y399-L402 WeakPolarHBondContact O-CG 3.47Å; Y399-L402 PolarHBondContact O-N 2.93Å; Y399-M420 HydrophobicContact CE2-CE 4.06Å
400L92.3Very high88.3Confident21 Ų2156.1 Ų56.111%0.1128%0.282CS..Hα-helixtrans-57.5-32.7178.9-70.1170.9000112.7E372 M375 Q382 I396 L402 L403E372-L400 HydrophobicContact CB-CD2 3.87Å; M375-L400 HydrophobicContact SD-CD1 3.49Å; M375-L400 WeakPolarHBondContact SD-CD1 3.34Å; M375-L400 HydrophobicContact SD-CD2 4.48Å; Q382-L400 HydrophobicContact CG-CD1 3.76Å; I396-L400 HydrophobicContact CG2-CD1 3.82Å; I396-L400 HydrophobicContact CG2-CG 4.32Å; I396-L400 WeakPolarHBondContact O-CG 3.37Å; I396-L400 PolarHBondContact O-N 3.18Å; L400-L402 PolarHBondContact O-N 2.64Å; L400-L403 HydrophobicContact CD2-CD1 4.35Å; L400-L403 WeakPolarHBondContact O-CB 3.26Å; L400-L403 PolarHBondContact O-N 2.66Å
401R91.4Very high89.1Confident105 Ų10558.6 Ų58.640%0.39629%0.288SS..Hα-helixtrans-64.6-26.9175.5-71.5168.166.4-166.21.3112.8A397 Y399 L403 T404 L427A397-R401 WeakPolarHBondContact O-CD 3.31Å; A397-R401 WeakPolarHBondContact O-CG 3.44Å; A397-R401 PolarHBondContact O-N 2.87Å; Y399-R401 PolarHBondContact O-N 3.34Å; Y399-R401 VanDerWaalsContact O-N 3.12Å; R401-L403 PolarHBondContact O-N 3.21Å; R401-T404 WeakPolarHBondContact O-CB 3.3Å; R401-T404 PolarHBondContact O-N 2.78Å; R401-T404 VanDerWaalsContact O-N 3.14Å; R401-T404 PolarHBondContact O-OG1 3.07Å; R401-L427 HydrophobicContact CB-CD1 3.7Å; R401-L427 WeakPolarHBondContact O-CD1 3.34Å
402L90.8Very high89.7Confident1 Ų154.4 Ų54.41%0.00527%0.271CS..Hα-helixtrans-61.9-32.4176.4-59.3174.7000111.6P364 L365 Y399 L400 T404 L405 M420 A423 L427P364-L402 HydrophobicContact CB-CD1 4.08Å; L365-L402 HydrophobicContact CD2-CB 3.94Å; Y399-L402 HydrophobicContact CD1-CD1 4.42Å; Y399-L402 WeakPolarHBondContact O-CB 3.28Å; Y399-L402 WeakPolarHBondContact O-CG 3.47Å; Y399-L402 PolarHBondContact O-N 2.93Å; L400-L402 PolarHBondContact O-N 2.64Å; L402-T404 PolarHBondContact O-N 2.83Å; L402-T404 VanDerWaalsContact O-N 3.12Å; L402-L405 HydrophobicContact CB-CD1 4.48Å; L402-L405 HydrophobicContact CD2-CD1 4.08Å; L402-L405 VanDerWaalsContact O-CB 3.28Å; L402-L405 WeakPolarHBondContact O-CB 3.48Å; L402-L405 WeakPolarHBondContact O-CG 3.37Å; L402-L405 PolarHBondContact O-N 2.94Å; L402-M420 HydrophobicContact CD1-CG 3.92Å; L402-A423 HydrophobicContact CD2-CB 3.84Å; L402-L427 HydrophobicContact CD2-CD1 4.14Å
403L91.5Very high90.2Very high24 Ų2451.4 Ų51.413%0.12625%0.25CC..THydrogen-bonded Turntrans-61.8-22.9177.7-58.6-178.4000113.2L365 A368 E369 E372 L400 R401 L405 K410L365-L403 HydrophobicContact CD2-CD2 4.44Å; A368-L403 HydrophobicContact CB-CD1 4.28Å; A368-L403 HydrophobicContact CB-CD2 3.75Å; A368-L403 HydrophobicContact CB-CG 3.81Å; E369-L403 HydrophobicContact CG-CD2 3.65Å; E372-L403 HydrophobicContact CB-CD1 3.73Å; E372-L403 HydrophobicContact CG-CD1 4.16Å; L400-L403 HydrophobicContact CD2-CD1 4.35Å; L400-L403 WeakPolarHBondContact O-CB 3.26Å; L400-L403 PolarHBondContact O-N 2.66Å; R401-L403 PolarHBondContact O-N 3.21Å; L403-L405 VanDerWaalsContact C-N 3.31Å; L403-K410 PolarHBondContact O-NZ 3.35Å
404T91.3Very high90.2Very high99 Ų9948.6 Ų48.661%0.60724%0.244SC*.THydrogen-bonded Turntrans-80.5-7.2178.274.90000114R401 L402 L427R401-T404 WeakPolarHBondContact O-CB 3.3Å; R401-T404 PolarHBondContact O-N 2.78Å; R401-T404 VanDerWaalsContact O-N 3.14Å; R401-T404 PolarHBondContact O-OG1 3.07Å; L402-T404 PolarHBondContact O-N 2.83Å; L402-T404 VanDerWaalsContact O-N 3.12Å; T404-L427 VanDerWaalsContact OG1-CD2 3.31Å; T404-L427 WeakPolarHBondContact OG1-CD2 3.38Å
405L92.4Very high90.1Very high6 Ų649.6 Ų49.63%0.03125%0.245CC..SBendtrans-65.9148.9176.5-72.7168.3000111.3L402 L403 V409 K410 A423 L427 I435L402-L405 HydrophobicContact CB-CD1 4.48Å; L402-L405 HydrophobicContact CD2-CD1 4.08Å; L402-L405 VanDerWaalsContact O-CB 3.28Å; L402-L405 WeakPolarHBondContact O-CB 3.48Å; L402-L405 WeakPolarHBondContact O-CG 3.37Å; L402-L405 PolarHBondContact O-N 2.94Å; L403-L405 VanDerWaalsContact C-N 3.31Å; L405-V409 HydrophobicContact CB-CB 4.4Å; L405-V409 HydrophobicContact CB-CG1 4.45Å; L405-V409 HydrophobicContact CD1-CG1 4.2Å; L405-V409 HydrophobicContact CD2-CG1 4.17Å; L405-K410 HydrophobicContact CB-CD 4.48Å; L405-K410 HydrophobicContact CB-CG 3.78Å; L405-K410 WeakPolarHBondContact O-CE 3.45Å; L405-A423 HydrophobicContact CD1-CB 3.93Å; L405-L427 HydrophobicContact CD2-CD2 3.68Å; L405-L427 HydrophobicContact CD2-CG 3.82Å; L405-L427 HydrophobicContact CG-CD2 3.95Å; L405-L427 HydrophobicContact CG-CG 4.19Å; L405-I435 HydrophobicContact CD2-CG2 4.13Å
406P92.8Very high90.2Very high48 Ų4854.8 Ų54.831%0.31227%0.271SS..  trans-55.5145.9172.3-2333000111.6L408 V409 K410 I435P406-L408 VanDerWaalsContact C-N 3.32Å; P406-L408 PolarHBondContact O-N 2.98Å; P406-V409 HydrophobicContact CB-CG2 4.28Å; P406-V409 HydrophobicContact CG-CG2 4.35Å; P406-V409 WeakPolarHBondContact O-CA 3.29Å; P406-V409 WeakPolarHBondContact O-CB 3.39Å; P406-V409 PolarHBondContact O-N 2.93Å; P406-K410 PolarHBondContact O-N 2.83Å; P406-I435 HydrophobicContact CG-CB 4.41Å; P406-I435 HydrophobicContact CG-CG2 4.1Å
407K91.8Very high90.2Very high155 Ų15560.8 Ų60.867%0.67429%0.294SS*.Hα-helixtrans-46.9-50.3-176.4-172.7-176.3177.8-170.90113.3V409 K410 E411K407-V409 VanDerWaalsContact C-N 3.25Å; K407-V409 PolarHBondContact O-N 2.79Å; K407-K410 WeakPolarHBondContact O-CB 3.21Å; K407-K410 PolarHBondContact O-N 3.33Å; K407-K410 VanDerWaalsContact O-N 3.09Å; K407-E411 WeakPolarHBondContact CE-OE1 3.49Å; K407-E411 PolarHBondContact O-N 2.84Å
408L92Very high90.1Very high89 Ų8959.9 Ų59.947%0.46629%0.286SS..Hα-helixtrans-61.9-28.9179.4-68.6173.2000113.8P406 E411 M412 L436P406-L408 VanDerWaalsContact C-N 3.32Å; P406-L408 PolarHBondContact O-N 2.98Å; L408-E411 WeakPolarHBondContact CD2-OE2 3.41Å; L408-M412 WeakPolarHBondContact O-CG 3.16Å; L408-M412 PolarHBondContact O-N 2.7Å; L408-L436 HydrophobicContact CB-CD1 3.68Å; L408-L436 HydrophobicContact CD1-CD1 4.06Å; L408-L436 HydrophobicContact CD1-CD2 3.74Å
409V92.6Very high90Very high0 Ų060.6 Ų60.60%029%0.294CS..Hα-helixtrans-80.2-34.1176.7-176.90000110.5L405 P406 K407 M412 V413 L418 L426 I435 L436 A439L405-V409 HydrophobicContact CB-CB 4.4Å; L405-V409 HydrophobicContact CB-CG1 4.45Å; L405-V409 HydrophobicContact CD1-CG1 4.2Å; L405-V409 HydrophobicContact CD2-CG1 4.17Å; P406-V409 HydrophobicContact CB-CG2 4.28Å; P406-V409 HydrophobicContact CG-CG2 4.35Å; P406-V409 WeakPolarHBondContact O-CA 3.29Å; P406-V409 WeakPolarHBondContact O-CB 3.39Å; P406-V409 PolarHBondContact O-N 2.93Å; K407-V409 VanDerWaalsContact C-N 3.25Å; K407-V409 PolarHBondContact O-N 2.79Å; V409-M412 WeakPolarHBondContact O-CB 3.39Å; V409-M412 PolarHBondContact O-N 3.37Å; V409-V413 WeakPolarHBondContact O-CG2 3.43Å; V409-V413 PolarHBondContact O-N 2.96Å; V409-V413 VanDerWaalsContact O-N 3.14Å; V409-L418 HydrophobicContact CG1-CD1 4.01Å; V409-L426 HydrophobicContact CG1-CD1 4.05Å; V409-I435 HydrophobicContact CG2-CG2 4.16Å; V409-L436 HydrophobicContact CG2-CD1 3.88Å; V409-A439 HydrophobicContact CG1-CB 4.13Å; V409-A439 HydrophobicContact CG2-CB 3.76Å
410K92.9Very high89.8Confident55 Ų5562.3 Ų62.324%0.23930%0.303CS..Hα-helixtrans-62.3-44.8171.8-68.3-165.8-70-176.10111.2L365 L403 L405 P406 K407 M412 V413 Q414L365-K410 HydrophobicContact CD1-CB 3.64Å; L365-K410 HydrophobicContact CD1-CG 4.19Å; L365-K410 WeakPolarHBondContact CD1-O 3.33Å; L365-K410 HydrophobicContact CD2-CB 4.37Å; L365-K410 HydrophobicContact CD2-CD 3.97Å; L365-K410 HydrophobicContact CD2-CG 3.99Å; L403-K410 PolarHBondContact O-NZ 3.35Å; L405-K410 HydrophobicContact CB-CD 4.48Å; L405-K410 HydrophobicContact CB-CG 3.78Å; L405-K410 WeakPolarHBondContact O-CE 3.45Å; P406-K410 PolarHBondContact O-N 2.83Å; K407-K410 WeakPolarHBondContact O-CB 3.21Å; K407-K410 PolarHBondContact O-N 3.33Å; K407-K410 VanDerWaalsContact O-N 3.09Å; K410-M412 VanDerWaalsContact C-N 3.29Å; K410-M412 PolarHBondContact O-N 2.87Å; K410-V413 PolarHBondContact O-N 3.29Å; K410-Q414 PolarHBondContact O-N 3.34Å
411E90.9Very high89.4Confident71 Ų7162.3 Ų62.333%0.33231%0.308SS..Hα-helixtrans-55.9-42.6172.6-69.8167.2-169.600111.5K407 L408 V413 Q414 D415K407-E411 WeakPolarHBondContact CE-OE1 3.49Å; K407-E411 PolarHBondContact O-N 2.84Å; L408-E411 WeakPolarHBondContact CD2-OE2 3.41Å; E411-V413 VanDerWaalsContact C-N 3.29Å; E411-V413 PolarHBondContact O-N 3.28Å; E411-Q414 PolarHBondContact O-N 3.49Å; E411-D415 WeakPolarHBondContact O-CB 3.35Å; E411-D415 VanDerWaalsContact O-CG 3.28Å; E411-D415 PolarHBondContact O-N 2.74Å
412M91.2Very high89.3Confident9 Ų958.4 Ų58.44%0.04430%0.295CS..Hα-helixtrans-62.8-30.6174.9-68.9171.5-168.600114.1L408 V409 K410 R417 L418 L436 A439 N440 V443L408-M412 WeakPolarHBondContact O-CG 3.16Å; L408-M412 PolarHBondContact O-N 2.7Å; V409-M412 WeakPolarHBondContact O-CB 3.39Å; V409-M412 PolarHBondContact O-N 3.37Å; K410-M412 VanDerWaalsContact C-N 3.29Å; K410-M412 PolarHBondContact O-N 2.87Å; M412-R417 HydrophobicContact CB-CB 4.34Å; M412-R417 CarbonylContact O-C 3.49Å; M412-R417 WeakPolarHBondContact O-CA 3.5Å; M412-R417 WeakPolarHBondContact O-CB 3.37Å; M412-R417 PolarHBondContact O-N 3.33Å; M412-L418 HydrophobicContact CB-CB 4.42Å; M412-L418 HydrophobicContact CB-CD1 3.78Å; M412-L418 HydrophobicContact CB-CG 4.04Å; M412-L418 PolarHBondContact O-N 3.28Å; M412-L418 HydrophobicContact SD-CD1 3.99Å; M412-L436 HydrophobicContact CE-CD1 4.43Å; M412-A439 HydrophobicContact SD-CB 4.16Å; M412-N440 WeakPolarHBondContact CE-OD1 3.16Å; M412-V443 HydrophobicContact SD-CG2 4.08Å
413V89.4Confident89.3Confident5 Ų558.3 Ų58.33%0.0329%0.294CS..Hα-helixtrans-77.4-40.2176175.60000110.6P364 L365 V409 K410 E411 D415 E416 L418 A423P364-V413 HydrophobicContact CB-CG1 4.38Å; P364-V413 HydrophobicContact CG-CG1 4.43Å; L365-V413 HydrophobicContact CD1-CB 4.12Å; L365-V413 HydrophobicContact CD1-CG1 4.32Å; L365-V413 HydrophobicContact CG-CG1 4.25Å; V409-V413 WeakPolarHBondContact O-CG2 3.43Å; V409-V413 PolarHBondContact O-N 2.96Å; V409-V413 VanDerWaalsContact O-N 3.14Å; K410-V413 PolarHBondContact O-N 3.29Å; E411-V413 VanDerWaalsContact C-N 3.29Å; E411-V413 PolarHBondContact O-N 3.28Å; V413-D415 VanDerWaalsContact C-N 3.35Å; V413-E416 PolarHBondContact O-N 3.12Å; V413-E416 VanDerWaalsContact O-N 3.16Å; V413-L418 HydrophobicContact CG2-CB 4.01Å; V413-A423 HydrophobicContact CG2-CB 3.55Å
414Q86.8Confident89.2Confident106 Ų10661.8 Ų61.850%0.49531%0.306SS..Hα-helixtrans-64.1-39.7177.7-174170.4600112.1L365 K410 E411 E416L365-Q414 HydrophobicContact CD1-CB 4.31Å; K410-Q414 PolarHBondContact O-N 3.34Å; E411-Q414 PolarHBondContact O-N 3.49Å; Q414-E416 PolarHBondContact O-N 2.76Å
415D85.6Confident89.1Confident101 Ų10157.6 Ų57.654%0.5428%0.28SS..THydrogen-bonded Turntrans-82.812.5175.9-59.9-21.5000112.9E411 V413 R417E411-D415 WeakPolarHBondContact O-CB 3.35Å; E411-D415 VanDerWaalsContact O-CG 3.28Å; E411-D415 PolarHBondContact O-N 2.74Å; V413-D415 VanDerWaalsContact C-N 3.35Å; D415-R417 HydrophobicContact CB-CG 4.21Å; D415-R417 PolarHBondContact O-N 2.89Å
416E84Confident89.1Confident173 Ų17357.3 Ų57.381%0.80828%0.279SS*.THydrogen-bonded Turntrans57.711.3-179.4-57.9-176.5170.500116V413 Q414 L418V413-E416 PolarHBondContact O-N 3.12Å; V413-E416 VanDerWaalsContact O-N 3.16Å; Q414-E416 PolarHBondContact O-N 2.76Å; E416-L418 PolarHBondContact O-N 3.47Å
417R88Confident88.9Confident126 Ų12655.4 Ų55.448%0.47527%0.266SS..SBendtrans-68.8-22.8174.9-63.416858.4-166.4-1.6112.3M412 D415 V443M412-R417 HydrophobicContact CB-CB 4.34Å; M412-R417 CarbonylContact O-C 3.49Å; M412-R417 WeakPolarHBondContact O-CA 3.5Å; M412-R417 WeakPolarHBondContact O-CB 3.37Å; M412-R417 PolarHBondContact O-N 3.33Å; D415-R417 HydrophobicContact CB-CG 4.21Å; D415-R417 PolarHBondContact O-N 2.89Å; R417-V443 HydrophobicContact CB-CG1 4.32Å; R417-V443 HydrophobicContact CB-CG2 4.33Å
418L87.5Confident88.7Confident2 Ų249.8 Ų49.81%0.0125%0.252CS..SBendtrans-127.3126.7170.7-72.6174.6000109.9V409 M412 V413 E416 Q422 L426 A439 A442 V443V409-L418 HydrophobicContact CG1-CD1 4.01Å; M412-L418 HydrophobicContact CB-CB 4.42Å; M412-L418 HydrophobicContact CB-CD1 3.78Å; M412-L418 HydrophobicContact CB-CG 4.04Å; M412-L418 PolarHBondContact O-N 3.28Å; M412-L418 HydrophobicContact SD-CD1 3.99Å; V413-L418 HydrophobicContact CG2-CB 4.01Å; E416-L418 PolarHBondContact O-N 3.47Å; L418-Q422 HydrophobicContact CD2-CB 4.1Å; L418-L426 HydrophobicContact CD1-CD1 4.1Å; L418-A439 HydrophobicContact CD1-CB 4.11Å; L418-A442 HydrophobicContact CD2-CB 4.09Å; L418-V443 HydrophobicContact CD1-CG2 4.33Å; L418-V443 HydrophobicContact CD2-CG2 3.63Å; L418-V443 HydrophobicContact CG-CG2 3.69Å
419S85.4Confident88.7Confident55 Ų5545.7 Ų45.739%0.38523%0.23SC..  trans-64.8156.4168.464.20000111.9G421 Q422 A423S419-G421 PolarHBondContact O-N 3.31Å; S419-Q422 PolarHBondContact O-N 3.06Å; S419-Q422 VanDerWaalsContact O-N 3.12Å; S419-Q422 VanDerWaalsContact OG-CD 3.27Å; S419-Q422 VanDerWaalsContact OG-CG 3.29Å; S419-Q422 WeakPolarHBondContact OG-CG 3.31Å; S419-Q422 PolarHBondContact OG-N 3.1Å; S419-Q422 PolarHBondContact OG-OE1 3.01Å; S419-A423 PolarHBondContact O-N 3.25Å
420M85.8Confident88.4Confident57 Ų5753.4 Ų53.428%0.28126%0.264SS..Hα-helixtrans-54.6-40.9173.4-171.3-82.1-92.400112P364 Y399 L402 Q422 A423 R424P364-M420 HydrophobicContact CB-CB 4.21Å; P364-M420 HydrophobicContact CB-CG 4.04Å; P364-M420 HydrophobicContact CG-CB 4.03Å; P364-M420 HydrophobicContact CG-CG 4.38Å; Y399-M420 HydrophobicContact CE2-CE 4.06Å; L402-M420 HydrophobicContact CD1-CG 3.92Å; M420-Q422 PolarHBondContact O-N 3.01Å; M420-A423 PolarHBondContact O-N 3.48Å; M420-R424 WeakPolarHBondContact O-CB 3.42Å; M420-R424 PolarHBondContact O-N 3.46Å; M420-R424 HydrophobicContact SD-CB 4.37Å
421G84Confident88.1Confident21 Ų2157.6 Ų57.622%0.21628%0.282CS..Hα-helixtrans-58.1-47.6176.400000112.5S419 R424 T425S419-G421 PolarHBondContact O-N 3.31Å; G421-R424 PolarHBondContact O-N 3.48Å; G421-T425 PolarHBondContact O-N 3.38Å; G421-T425 PolarHBondContact O-OG1 2.88Å; G421-T425 VanDerWaalsContact O-OG1 3.06Å
422Q88.9Confident87.9Confident23 Ų2359.7 Ų59.711%0.10729%0.29CS..Hα-helixtrans-64.4-44.7177.2-71.5159.6-38.300111.5L418 S419 M420 R424 T425 L426 L447 V449 L452L418-Q422 HydrophobicContact CD2-CB 4.1Å; S419-Q422 PolarHBondContact O-N 3.06Å; S419-Q422 VanDerWaalsContact O-N 3.12Å; S419-Q422 VanDerWaalsContact OG-CD 3.27Å; S419-Q422 VanDerWaalsContact OG-CG 3.29Å; S419-Q422 WeakPolarHBondContact OG-CG 3.31Å; S419-Q422 PolarHBondContact OG-N 3.1Å; S419-Q422 PolarHBondContact OG-OE1 3.01Å; M420-Q422 PolarHBondContact O-N 3.01Å; Q422-R424 VanDerWaalsContact C-N 3.3Å; Q422-R424 PolarHBondContact O-N 3.22Å; Q422-T425 WeakPolarHBondContact O-CB 3.42Å; Q422-T425 PolarHBondContact O-N 3.15Å; Q422-T425 VanDerWaalsContact O-N 3.17Å; Q422-L426 WeakPolarHBondContact O-CG 3.46Å; Q422-L426 PolarHBondContact O-N 3.47Å; Q422-L447 PolarHBondContact NE2-O 3.23Å; Q422-V449 HydrophobicContact CG-CG2 4.12Å; Q422-L452 HydrophobicContact CB-CD2 3.82Å; Q422-L452 HydrophobicContact CG-CD2 4.11Å; Q422-L452 WeakPolarHBondContact O-CD2 3.4Å
423A90.6Very high87.8Confident0 Ų064.6 Ų64.60%032%0.317CS..Hα-helixtrans-59.2-41.8178.400000112L402 L405 V413 S419 M420 L426 L427L402-A423 HydrophobicContact CD2-CB 3.84Å; L405-A423 HydrophobicContact CD1-CB 3.93Å; V413-A423 HydrophobicContact CG2-CB 3.55Å; S419-A423 PolarHBondContact O-N 3.25Å; M420-A423 PolarHBondContact O-N 3.48Å; A423-L426 PolarHBondContact O-N 3.14Å; A423-L427 PolarHBondContact O-N 3.17Å
424R89.4Confident87.9Confident96 Ų9666.6 Ų66.636%0.36233%0.326SS..Hα-helixtrans-64.4-40.3175.6-167.4-178.467132.63.4112.3M420 G421 Q422 L427M420-R424 WeakPolarHBondContact O-CB 3.42Å; M420-R424 PolarHBondContact O-N 3.46Å; M420-R424 HydrophobicContact SD-CB 4.37Å; G421-R424 PolarHBondContact O-N 3.48Å; Q422-R424 VanDerWaalsContact C-N 3.3Å; Q422-R424 PolarHBondContact O-N 3.22Å; R424-L427 WeakPolarHBondContact O-CB 3.43Å; R424-L427 PolarHBondContact O-N 3.02Å
425T88.7Confident88.1Confident12 Ų1261.8 Ų61.87%0.07430%0.303CS..Hα-helixtrans-63.9-40.9176.8-62.90000111.9G421 Q422 L427 G428 L452 E453 V456G421-T425 PolarHBondContact O-N 3.38Å; G421-T425 PolarHBondContact O-OG1 2.88Å; G421-T425 VanDerWaalsContact O-OG1 3.06Å; Q422-T425 WeakPolarHBondContact O-CB 3.42Å; Q422-T425 PolarHBondContact O-N 3.15Å; Q422-T425 VanDerWaalsContact O-N 3.17Å; T425-L427 PolarHBondContact O-N 3.13Å; T425-G428 PolarHBondContact O-N 3.4Å; T425-L452 HydrophobicContact CG2-CB 4.06Å; T425-L452 HydrophobicContact CG2-CD2 4.19Å; T425-L452 HydrophobicContact CG2-CG 3.78Å; T425-E453 HydrophobicContact CG2-CB 4.14Å; T425-E453 HydrophobicContact CG2-CG 3.46Å; T425-E453 VanDerWaalsContact CG2-CG 3.46Å; T425-V456 HydrophobicContact CG2-CG2 3.97Å
426L92.1Very high88.5Confident0 Ų059.5 Ų59.50%029%0.291CS..Hα-helixtrans-59.4-31.5176.7-68.8171.3000113V409 L418 Q422 A423 G428 L429 I435 L438 A439 L452V409-L426 HydrophobicContact CG1-CD1 4.05Å; L418-L426 HydrophobicContact CD1-CD1 4.1Å; Q422-L426 WeakPolarHBondContact O-CG 3.46Å; Q422-L426 PolarHBondContact O-N 3.47Å; A423-L426 PolarHBondContact O-N 3.14Å; L426-G428 PolarHBondContact O-N 3.07Å; L426-L429 WeakPolarHBondContact O-CB 3.27Å; L426-L429 PolarHBondContact O-N 2.64Å; L426-L429 VanDerWaalsContact O-N 3.17Å; L426-I435 HydrophobicContact CB-CG2 4.3Å; L426-L438 HydrophobicContact CD2-CB 3.97Å; L426-L438 HydrophobicContact CD2-CD2 3.85Å; L426-L438 HydrophobicContact CD2-CG 3.7Å; L426-A439 HydrophobicContact CD1-CB 3.67Å; L426-L452 HydrophobicContact CD2-CD1 4.06Å; L426-L452 HydrophobicContact CD2-CD2 4.11Å; L426-L452 HydrophobicContact CD2-CG 4.43Å; L426-L452 HydrophobicContact CG-CD2 4.06Å
427L89.8Confident88.9Confident7 Ų757.5 Ų57.54%0.03728%0.279CS..THydrogen-bonded Turntrans-64.2-20.5176.5-72.3163.5000113.4R401 L402 T404 L405 A423 R424 T425 L429 K432R401-L427 HydrophobicContact CB-CD1 3.7Å; R401-L427 WeakPolarHBondContact O-CD1 3.34Å; L402-L427 HydrophobicContact CD2-CD1 4.14Å; T404-L427 VanDerWaalsContact OG1-CD2 3.31Å; T404-L427 WeakPolarHBondContact OG1-CD2 3.38Å; L405-L427 HydrophobicContact CD2-CD2 3.68Å; L405-L427 HydrophobicContact CD2-CG 3.82Å; L405-L427 HydrophobicContact CG-CD2 3.95Å; L405-L427 HydrophobicContact CG-CG 4.19Å; A423-L427 PolarHBondContact O-N 3.17Å; R424-L427 WeakPolarHBondContact O-CB 3.43Å; R424-L427 PolarHBondContact O-N 3.02Å; T425-L427 PolarHBondContact O-N 3.13Å; L427-L429 PolarHBondContact O-N 3.14Å; L427-K432 PolarHBondContact O-NZ 3.31Å; L427-K432 VanDerWaalsContact O-NZ 3.1Å
428G88Confident89.1Confident37 Ų3751.5 Ų51.538%0.38126%0.257SS..THydrogen-bonded Turntrans-71.7-10.1175.600000114.5T425 L426 K430 N460T425-G428 PolarHBondContact O-N 3.4Å; L426-G428 PolarHBondContact O-N 3.07Å; G428-K430 PolarHBondContact O-N 2.91Å; G428-N460 PolarHBondContact O-ND2 2.99Å
429L90Very high89.4Confident3 Ų351.4 Ų51.42%0.01626%0.256CS..  trans-69.6126.2177.4-147.675.4000110.8L426 L427 K431 Q434 I435 L438 V456 Y459L426-L429 WeakPolarHBondContact O-CB 3.27Å; L426-L429 PolarHBondContact O-N 2.64Å; L426-L429 VanDerWaalsContact O-N 3.17Å; L427-L429 PolarHBondContact O-N 3.14Å; L429-K431 WeakPolarHBondContact CD2-O 3.36Å; L429-Q434 HydrophobicContact CD2-CB 3.46Å; L429-Q434 VanDerWaalsContact CD2-CB 3.46Å; L429-I435 HydrophobicContact CB-CG1 4.09Å; L429-I435 HydrophobicContact CD2-CG1 4.02Å; L429-L438 HydrophobicContact CD1-CD2 3.94Å; L429-V456 HydrophobicContact CD1-CB 4.34Å; L429-V456 HydrophobicContact CD1-CG1 4.14Å; L429-V456 HydrophobicContact CD1-CG2 4.09Å; L429-Y459 HydrophobicContact CD1-CD1 4.14Å; L429-Y459 HydrophobicContact CD1-CG 4.01Å
430K86.4Confident89.8Confident162 Ų16252.4 Ų52.470%0.70426%0.257SS*.SBendtrans-65.8-38.2177.7-72.4177.6-178.6175.30112.2G428 N460G428-K430 PolarHBondContact O-N 2.91Å; K430-N460 WeakPolarHBondContact CB-OD1 3.26Å; K430-N460 HydrophobicContact CD-CB 4.29Å; K430-N460 WeakPolarHBondContact CG-OD1 3.44Å; K430-N460 PolarHBondContact N-OD1 3.1Å
431K87.9Confident90.1Very high144 Ų14453.9 Ų53.963%0.62626%0.26SS*.  trans-92.298.4179.7-74.3-170.9179.3-176.80110.7L429 D433 Q434L429-K431 WeakPolarHBondContact CD2-O 3.36Å; K431-D433 VanDerWaalsContact C-N 3.27Å; K431-D433 WeakPolarHBondContact CB-OD1 3.31Å; K431-D433 PolarHBondContact O-N 3.34Å; K431-Q434 HydrophobicContact CB-CB 4.34Å; K431-Q434 HydrophobicContact CB-CG 3.91Å; K431-Q434 HydrophobicContact CD-CG 4.44Å; K431-Q434 WeakPolarHBondContact O-CB 3.49Å; K431-Q434 PolarHBondContact O-N 3.31Å; K431-Q434 VanDerWaalsContact O-N 3.08Å
432K87.1Confident90.4Very high114 Ų11452.9 Ų52.950%0.49625%0.249SC..G310 helixtrans-63.1-29.8-173.9-63.2-59.2-174.5-173.80113.8L427 Q434 I435L427-K432 PolarHBondContact O-NZ 3.31Å; L427-K432 VanDerWaalsContact O-NZ 3.1Å; K432-Q434 PolarHBondContact O-N 3.2Å; K432-I435 HydrophobicContact CB-CD1 4.39Å; K432-I435 HydrophobicContact CD-CD1 3.5Å; K432-I435 WeakPolarHBondContact O-CB 3.31Å; K432-I435 WeakPolarHBondContact O-CG1 3.48Å; K432-I435 PolarHBondContact O-N 2.84Å
433D88.2Confident90.4Very high113 Ų11353.1 Ų53.160%0.60425%0.252SS*.G310 helixtrans-62.1-24.5174.362.1-57.4000113.4K431K431-D433 VanDerWaalsContact C-N 3.27Å; K431-D433 WeakPolarHBondContact CB-OD1 3.31Å; K431-D433 PolarHBondContact O-N 3.34Å
434Q90.7Very high90.5Very high47 Ų4761.7 Ų61.722%0.2229%0.29CS..G310 helixtrans-87.2-10.4179.8-61.1-59.5-52.100113.4L429 K431 K432 L436 K437 L438 Y459L429-Q434 HydrophobicContact CD2-CB 3.46Å; L429-Q434 VanDerWaalsContact CD2-CB 3.46Å; K431-Q434 HydrophobicContact CB-CB 4.34Å; K431-Q434 HydrophobicContact CB-CG 3.91Å; K431-Q434 HydrophobicContact CD-CG 4.44Å; K431-Q434 WeakPolarHBondContact O-CB 3.49Å; K431-Q434 PolarHBondContact O-N 3.31Å; K431-Q434 VanDerWaalsContact O-N 3.08Å; K432-Q434 PolarHBondContact O-N 3.2Å; Q434-L436 PolarHBondContact O-N 2.85Å; Q434-K437 PolarHBondContact O-N 2.77Å; Q434-L438 PolarHBondContact O-N 3.14Å; Q434-Y459 HydrophobicContact CB-CD1 4.45Å; Q434-Y459 HydrophobicContact CB-CE1 4.27Å; Q434-Y459 HydrophobicContact CG-CE1 4.45Å
435I92.5Very high90.5Very high4 Ų461.8 Ų61.82%0.02129%0.294CS..Hα-helixtrans-58.2-48.7-177-71.8177.2000111L405 P406 V409 L426 L429 K432 K437 L438 A439L405-I435 HydrophobicContact CD2-CG2 4.13Å; P406-I435 HydrophobicContact CG-CB 4.41Å; P406-I435 HydrophobicContact CG-CG2 4.1Å; V409-I435 HydrophobicContact CG2-CG2 4.16Å; L426-I435 HydrophobicContact CB-CG2 4.3Å; L429-I435 HydrophobicContact CB-CG1 4.09Å; L429-I435 HydrophobicContact CD2-CG1 4.02Å; K432-I435 HydrophobicContact CB-CD1 4.39Å; K432-I435 HydrophobicContact CD-CD1 3.5Å; K432-I435 WeakPolarHBondContact O-CB 3.31Å; K432-I435 WeakPolarHBondContact O-CG1 3.48Å; K432-I435 PolarHBondContact O-N 2.84Å; I435-K437 VanDerWaalsContact C-N 3.31Å; I435-K437 PolarHBondContact O-N 3.45Å; I435-L438 PolarHBondContact O-N 3Å; I435-A439 VanDerWaalsContact O-CB 3.29Å; I435-A439 WeakPolarHBondContact O-CB 3.38Å; I435-A439 PolarHBondContact O-N 3.34Å
436L92.7Very high90.4Very high54 Ų5467.7 Ų67.728%0.28333%0.325SS..Hα-helixtrans-62.9-38.6-178.7-179.461.5000112L408 V409 M412 Q434 A439 N440L408-L436 HydrophobicContact CB-CD1 3.68Å; L408-L436 HydrophobicContact CD1-CD1 4.06Å; L408-L436 HydrophobicContact CD1-CD2 3.74Å; V409-L436 HydrophobicContact CG2-CD1 3.88Å; M412-L436 HydrophobicContact CE-CD1 4.43Å; Q434-L436 PolarHBondContact O-N 2.85Å; L436-A439 PolarHBondContact O-N 3Å; L436-N440 PolarHBondContact O-N 3.1Å; L436-N440 PolarHBondContact O-ND2 2.97Å
437K92.3Very high90.1Very high130 Ų13068.2 Ų68.257%0.56533%0.328SS*.Hα-helixtrans-64-45177.9-175.1-178.1179.1-177.50111.1Q434 I435 R441Q434-K437 PolarHBondContact O-N 2.77Å; I435-K437 VanDerWaalsContact C-N 3.31Å; I435-K437 PolarHBondContact O-N 3.45Å; K437-R441 PolarHBondContact O-N 2.82Å
438L93.2Very high89.6Confident1 Ų171.5 Ų71.51%0.00535%0.348CS..Hα-helixtrans-72.2-35.2179.3-174.558.1000112.2L426 L429 Q434 I435 R441 A442 L452 I455 V456L426-L438 HydrophobicContact CD2-CB 3.97Å; L426-L438 HydrophobicContact CD2-CD2 3.85Å; L426-L438 HydrophobicContact CD2-CG 3.7Å; L429-L438 HydrophobicContact CD1-CD2 3.94Å; Q434-L438 PolarHBondContact O-N 3.14Å; I435-L438 PolarHBondContact O-N 3Å; L438-R441 WeakPolarHBondContact O-CB 3.27Å; L438-R441 PolarHBondContact O-N 2.65Å; L438-A442 WeakPolarHBondContact O-CB 3.36Å; L438-A442 PolarHBondContact O-N 3.28Å; L438-L452 HydrophobicContact CD1-CD1 3.93Å; L438-L452 HydrophobicContact CD2-CD1 3.96Å; L438-L452 HydrophobicContact CG-CD1 3.75Å; L438-I455 HydrophobicContact CD1-CB 4.47Å; L438-I455 HydrophobicContact CD1-CG2 3.56Å; L438-I455 HydrophobicContact CD2-CG2 4.33Å; L438-V456 HydrophobicContact CD2-CG2 3.64Å
439A93.2Very high89.2Confident0 Ų072 Ų720%034%0.344CS..Hα-helixtrans-59.5-50.8173.300000111.7V409 M412 L418 L426 I435 L436 R441 A442 V443V409-A439 HydrophobicContact CG1-CB 4.13Å; V409-A439 HydrophobicContact CG2-CB 3.76Å; M412-A439 HydrophobicContact SD-CB 4.16Å; L418-A439 HydrophobicContact CD1-CB 4.11Å; L426-A439 HydrophobicContact CD1-CB 3.67Å; I435-A439 VanDerWaalsContact O-CB 3.29Å; I435-A439 WeakPolarHBondContact O-CB 3.38Å; I435-A439 PolarHBondContact O-N 3.34Å; L436-A439 PolarHBondContact O-N 3Å; A439-R441 PolarHBondContact O-N 2.82Å; A439-A442 WeakPolarHBondContact O-CB 2.8Å; A439-A442 PolarHBondContact O-N 3.43Å; A439-V443 WeakPolarHBondContact O-CG2 3.41Å; A439-V443 PolarHBondContact O-N 3.46Å
440N93.6Very high88.6Confident75 Ų7580.8 Ų80.840%0.40138%0.377SS..Hα-helixtrans-57.9-39.4175.6-80.1-61.1000112.2M412 L436 K444M412-N440 WeakPolarHBondContact CE-OD1 3.16Å; L436-N440 PolarHBondContact O-N 3.1Å; L436-N440 PolarHBondContact O-ND2 2.97Å; N440-K444 VanDerWaalsContact O-CB 3.25Å; N440-K444 WeakPolarHBondContact O-CB 3.48Å; N440-K444 PolarHBondContact O-N 3.06Å
441R92.4Very high88.5Confident88 Ų8877 Ų7733%0.33236%0.362SS..Hα-helixtrans-65.1-43.3175.1-172.5-179.8174.2-150-15.6111.7K437 L438 A439 V443 K444 E445K437-R441 PolarHBondContact O-N 2.82Å; L438-R441 WeakPolarHBondContact O-CB 3.27Å; L438-R441 PolarHBondContact O-N 2.65Å; A439-R441 PolarHBondContact O-N 2.82Å; R441-V443 VanDerWaalsContact C-N 3.34Å; R441-V443 PolarHBondContact O-N 3.32Å; R441-K444 PolarHBondContact O-N 2.93Å; R441-E445 HydrophobicContact CG-CG 4.28Å; R441-E445 WeakPolarHBondContact CG-OE1 3.4Å; R441-E445 IonicContact CZ-OE1 3.24Å; R441-E445 IonicContact CZ-OE2 3.57Å; R441-E445 VanDerWaalsContact NE-CD 3.3Å; R441-E445 IonicContact NE-OE1 2.75Å; R441-E445 PolarHBondContact NE-OE1 3.26Å; R441-E445 IonicContact NE-OE2 2.66Å; R441-E445 PolarHBondContact NE-OE2 3.37Å; R441-E445 IonicContact NH2-OE1 2.86Å; R441-E445 IonicContact NH2-OE2 2.79Å; R441-E445 PolarHBondContact NH2-OE2 2.91Å; R441-E445 WeakPolarHBondContact O-CB 3.32Å; R441-E445 PolarHBondContact O-N 3.03Å
442A91.4Very high88.6Confident0 Ų070.2 Ų70.20%033%0.332CS..Hα-helixtrans-60.4-43178.800000112.4L418 L438 A439 N446 L447 L452L418-A442 HydrophobicContact CD2-CB 4.09Å; L438-A442 WeakPolarHBondContact O-CB 3.36Å; L438-A442 PolarHBondContact O-N 3.28Å; A439-A442 WeakPolarHBondContact O-CB 2.8Å; A439-A442 PolarHBondContact O-N 3.43Å; A442-N446 WeakPolarHBondContact O-CA 3.35Å; A442-N446 PolarHBondContact O-N 2.96Å; A442-L447 HydrophobicContact CB-CB 4.31Å; A442-L447 HydrophobicContact CB-CD1 4.2Å; A442-L447 PolarHBondContact O-N 3.43Å; A442-L452 HydrophobicContact CB-CD1 4.08Å; A442-L452 HydrophobicContact CB-CD2 4.27Å
443V89.1Confident88.7Confident28 Ų2868.8 Ų68.817%0.1733%0.328CS..Hα-helixtrans-66.4-47.2174.1179.40000111.1M412 R417 L418 A439 R441 E445 N446M412-V443 HydrophobicContact SD-CG2 4.08Å; R417-V443 HydrophobicContact CB-CG1 4.32Å; R417-V443 HydrophobicContact CB-CG2 4.33Å; L418-V443 HydrophobicContact CD1-CG2 4.33Å; L418-V443 HydrophobicContact CD2-CG2 3.63Å; L418-V443 HydrophobicContact CG-CG2 3.69Å; A439-V443 WeakPolarHBondContact O-CG2 3.41Å; A439-V443 PolarHBondContact O-N 3.46Å; R441-V443 VanDerWaalsContact C-N 3.34Å; R441-V443 PolarHBondContact O-N 3.32Å; V443-E445 PolarHBondContact O-N 3.5Å; V443-N446 PolarHBondContact O-N 2.82Å; V443-N446 PolarHBondContact O-OD1 2.88Å
444K91.3Very high88.6Confident181 Ų18168.7 Ų68.779%0.78732%0.324SS*.Hα-helixtrans-64.8-37.7-177.2-176.8179.6177.9-1790113.2N440 R441N440-K444 VanDerWaalsContact O-CB 3.25Å; N440-K444 WeakPolarHBondContact O-CB 3.48Å; N440-K444 PolarHBondContact O-N 3.06Å; R441-K444 PolarHBondContact O-N 2.93Å
445E90.3Very high88.5Confident97 Ų9767.2 Ų67.245%0.45332%0.317SS..THydrogen-bonded Turntrans-972.7-177.5-67.3174.4-155.300112.7R441 V443 L447R441-E445 HydrophobicContact CG-CG 4.28Å; R441-E445 WeakPolarHBondContact CG-OE1 3.4Å; R441-E445 IonicContact CZ-OE1 3.24Å; R441-E445 IonicContact CZ-OE2 3.57Å; R441-E445 VanDerWaalsContact NE-CD 3.3Å; R441-E445 IonicContact NE-OE1 2.75Å; R441-E445 PolarHBondContact NE-OE1 3.26Å; R441-E445 IonicContact NE-OE2 2.66Å; R441-E445 PolarHBondContact NE-OE2 3.37Å; R441-E445 IonicContact NH2-OE1 2.86Å; R441-E445 IonicContact NH2-OE2 2.79Å; R441-E445 PolarHBondContact NH2-OE2 2.91Å; R441-E445 WeakPolarHBondContact O-CB 3.32Å; R441-E445 PolarHBondContact O-N 3.03Å; V443-E445 PolarHBondContact O-N 3.5Å; E445-L447 VanDerWaalsContact C-N 3.26Å; E445-L447 HydrophobicContact CB-CD2 3.73Å; E445-L447 HydrophobicContact CB-CG 3.87Å; E445-L447 PolarHBondContact O-N 3.08Å
446N85.2Confident88.4Confident137 Ų13767.4 Ų67.473%0.73332%0.318SS*.THydrogen-bonded Turntrans47.646.2-174.5-71.7-36.9000113A442 V443 T448A442-N446 WeakPolarHBondContact O-CA 3.35Å; A442-N446 PolarHBondContact O-N 2.96Å; V443-N446 PolarHBondContact O-N 2.82Å; V443-N446 PolarHBondContact O-OD1 2.88Å; N446-T448 PolarHBondContact O-N 3.39Å
447L86Confident88.2Confident11 Ų1168.2 Ų68.26%0.05833%0.326CS..  trans-67.5131.5-172.8-63.3-178.9000111.7Q422 A442 E445 Q451 L452 I455Q422-L447 PolarHBondContact NE2-O 3.23Å; A442-L447 HydrophobicContact CB-CB 4.31Å; A442-L447 HydrophobicContact CB-CD1 4.2Å; A442-L447 PolarHBondContact O-N 3.43Å; E445-L447 VanDerWaalsContact C-N 3.26Å; E445-L447 HydrophobicContact CB-CD2 3.73Å; E445-L447 HydrophobicContact CB-CG 3.87Å; E445-L447 PolarHBondContact O-N 3.08Å; L447-Q451 HydrophobicContact CB-CB 4.41Å; L447-Q451 HydrophobicContact CD2-CB 4.4Å; L447-L452 HydrophobicContact CD1-CD1 4.28Å; L447-I455 HydrophobicContact CD1-CD1 3.56Å
448T79.7Confident87.9Confident75 Ų7567.5 Ų67.546%0.4632%0.324SS..  trans-68.1160.3171.3700000111.1N446 R450 Q451 L452N446-T448 PolarHBondContact O-N 3.39Å; T448-R450 PolarHBondContact O-N 3.07Å; T448-Q451 PolarHBondContact O-N 2.71Å; T448-Q451 VanDerWaalsContact O-N 3.13Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.44Å; T448-Q451 PolarHBondContact OG1-N 3.44Å; T448-L452 WeakPolarHBondContact O-CB 3.38Å; T448-L452 PolarHBondContact O-N 3.5Å
449V80Confident87.6Confident49 Ų4971.6 Ų71.630%0.29734%0.34SS..Hα-helixtrans-52.4-43.2176.5179.90000111.1Q422 L452 E453Q422-V449 HydrophobicContact CG-CG2 4.12Å; V449-L452 PolarHBondContact O-N 2.94Å; V449-E453 WeakPolarHBondContact O-CG 3.33Å; V449-E453 PolarHBondContact O-N 3Å
450R78.3Confident87.3Confident186 Ų18673.7 Ų73.770%0.70235%0.351SS*.Hα-helixtrans-65.6-41.6179.3-171.4178.4179.9-174.80.6113.1T448 L452 E453 Q454T448-R450 PolarHBondContact O-N 3.07Å; R450-L452 VanDerWaalsContact C-N 3.32Å; R450-E453 PolarHBondContact O-N 3.45Å; R450-Q454 WeakPolarHBondContact O-CG 3.45Å; R450-Q454 PolarHBondContact O-N 3.25Å; R450-Q454 VanDerWaalsContact O-N 3.17Å
451Q84.4Confident86.7Confident84 Ų8475.3 Ų75.339%0.39336%0.357SS..Hα-helixtrans-64.8-40.8175-73.1170.4-24.800111L447 T448 Q454 I455L447-Q451 HydrophobicContact CB-CB 4.41Å; L447-Q451 HydrophobicContact CD2-CB 4.4Å; T448-Q451 PolarHBondContact O-N 2.71Å; T448-Q451 VanDerWaalsContact O-N 3.13Å; T448-Q451 WeakPolarHBondContact OG1-CG 3.44Å; T448-Q451 PolarHBondContact OG1-N 3.44Å; Q451-Q454 PolarHBondContact O-N 3.17Å; Q451-I455 WeakPolarHBondContact O-CG1 3.12Å; Q451-I455 PolarHBondContact O-N 3.4Å; Q451-I455 VanDerWaalsContact O-N 3.1Å
452L89.7Confident85.5Confident0 Ų074.2 Ų74.20%037%0.372CS..Hα-helixtrans-65.8-39.5178-169.658.5000111.7Q422 T425 L426 L438 A442 L447 T448 V449 R450 Q454 I455 V456Q422-L452 HydrophobicContact CB-CD2 3.82Å; Q422-L452 HydrophobicContact CG-CD2 4.11Å; Q422-L452 WeakPolarHBondContact O-CD2 3.4Å; T425-L452 HydrophobicContact CG2-CB 4.06Å; T425-L452 HydrophobicContact CG2-CD2 4.19Å; T425-L452 HydrophobicContact CG2-CG 3.78Å; L426-L452 HydrophobicContact CD2-CD1 4.06Å; L426-L452 HydrophobicContact CD2-CD2 4.11Å; L426-L452 HydrophobicContact CD2-CG 4.43Å; L426-L452 HydrophobicContact CG-CD2 4.06Å; L438-L452 HydrophobicContact CD1-CD1 3.93Å; L438-L452 HydrophobicContact CD2-CD1 3.96Å; L438-L452 HydrophobicContact CG-CD1 3.75Å; A442-L452 HydrophobicContact CB-CD1 4.08Å; A442-L452 HydrophobicContact CB-CD2 4.27Å; L447-L452 HydrophobicContact CD1-CD1 4.28Å; T448-L452 WeakPolarHBondContact O-CB 3.38Å; T448-L452 PolarHBondContact O-N 3.5Å; V449-L452 PolarHBondContact O-N 2.94Å; R450-L452 VanDerWaalsContact C-N 3.32Å; L452-Q454 VanDerWaalsContact C-N 3.35Å; L452-Q454 PolarHBondContact O-N 3Å; L452-I455 PolarHBondContact O-N 3.42Å; L452-V456 WeakPolarHBondContact O-CB 3.45Å; L452-V456 VanDerWaalsContact O-CG2 3.28Å; L452-V456 WeakPolarHBondContact O-CG2 3.46Å; L452-V456 PolarHBondContact O-N 3.37Å
453E88.1Confident83.4Confident85 Ų8581.1 Ų81.140%0.39740%0.402SS..Hα-helixtrans-60.6-42.3174.8-77.8173.617300112T425 V449 R450 V456 T457T425-E453 HydrophobicContact CG2-CB 4.14Å; T425-E453 HydrophobicContact CG2-CG 3.46Å; T425-E453 VanDerWaalsContact CG2-CG 3.46Å; V449-E453 WeakPolarHBondContact O-CG 3.33Å; V449-E453 PolarHBondContact O-N 3Å; R450-E453 PolarHBondContact O-N 3.45Å; E453-V456 PolarHBondContact O-N 3.15Å; E453-T457 WeakPolarHBondContact O-CB 3.25Å; E453-T457 PolarHBondContact O-N 3.04Å; E453-T457 PolarHBondContact O-OG1 2.68Å
454Q86.8Confident80.9Confident111 Ų11184.5 Ų84.552%0.51943%0.434SS..Hα-helixtrans-60.3-48.3174.6-72.5176.5-7.600111.1R450 Q451 L452 V456 T457 E458R450-Q454 WeakPolarHBondContact O-CG 3.45Å; R450-Q454 PolarHBondContact O-N 3.25Å; R450-Q454 VanDerWaalsContact O-N 3.17Å; Q451-Q454 PolarHBondContact O-N 3.17Å; L452-Q454 VanDerWaalsContact C-N 3.35Å; L452-Q454 PolarHBondContact O-N 3Å; Q454-V456 PolarHBondContact O-N 2.61Å; Q454-T457 WeakPolarHBondContact O-CB 3.24Å; Q454-T457 PolarHBondContact O-N 3.18Å; Q454-E458 WeakPolarHBondContact O-CG 3.45Å; Q454-E458 PolarHBondContact O-N 2.93Å
455I89.3Confident78.4Confident15 Ų1585 Ų858%0.07744%0.436CS..Hα-helixtrans-65.1-40.8179.7-63.7163000111.3L438 L447 Q451 L452 T457 E458 Y459L438-I455 HydrophobicContact CD1-CB 4.47Å; L438-I455 HydrophobicContact CD1-CG2 3.56Å; L438-I455 HydrophobicContact CD2-CG2 4.33Å; L447-I455 HydrophobicContact CD1-CD1 3.56Å; Q451-I455 WeakPolarHBondContact O-CG1 3.12Å; Q451-I455 PolarHBondContact O-N 3.4Å; Q451-I455 VanDerWaalsContact O-N 3.1Å; L452-I455 PolarHBondContact O-N 3.42Å; I455-T457 VanDerWaalsContact C-N 3.28Å; I455-T457 PolarHBondContact O-N 2.78Å; I455-E458 PolarHBondContact O-N 2.78Å; I455-Y459 HydrophobicContact CG2-CD2 3.76Å; I455-Y459 HydrophobicContact CG2-CE2 3.78Å; I455-Y459 WeakPolarHBondContact O-CD2 3.33Å; I455-Y459 PolarHBondContact O-N 3.34Å
456V89.1Confident75.6Confident9 Ų987.5 Ų87.56%0.05545%0.452CS..Hα-helixtrans-60.4-41.1175.4168.30000110.8T425 L429 L438 L452 E453 Q454 Y459 N460T425-V456 HydrophobicContact CG2-CG2 3.97Å; L429-V456 HydrophobicContact CD1-CB 4.34Å; L429-V456 HydrophobicContact CD1-CG1 4.14Å; L429-V456 HydrophobicContact CD1-CG2 4.09Å; L438-V456 HydrophobicContact CD2-CG2 3.64Å; L452-V456 WeakPolarHBondContact O-CB 3.45Å; L452-V456 VanDerWaalsContact O-CG2 3.28Å; L452-V456 WeakPolarHBondContact O-CG2 3.46Å; L452-V456 PolarHBondContact O-N 3.37Å; E453-V456 PolarHBondContact O-N 3.15Å; Q454-V456 PolarHBondContact O-N 2.61Å; V456-Y459 PolarHBondContact O-N 2.9Å; V456-N460 WeakPolarHBondContact O-CB 3.36Å; V456-N460 VanDerWaalsContact O-CG 3.25Å; V456-N460 PolarHBondContact O-N 2.78Å; V456-N460 PolarHBondContact O-ND2 2.79Å
457T87.9Confident73.3Confident71 Ų7189.5 Ų89.544%0.43645%0.454SS..Hα-helixtrans-62-47.1175.7-54.60000110.9E453 Q454 I455 Y459 N460 E461E453-T457 WeakPolarHBondContact O-CB 3.25Å; E453-T457 PolarHBondContact O-N 3.04Å; E453-T457 PolarHBondContact O-OG1 2.68Å; Q454-T457 WeakPolarHBondContact O-CB 3.24Å; Q454-T457 PolarHBondContact O-N 3.18Å; I455-T457 VanDerWaalsContact C-N 3.28Å; I455-T457 PolarHBondContact O-N 2.78Å; T457-Y459 PolarHBondContact O-N 2.87Å; T457-N460 PolarHBondContact O-N 2.82Å; T457-N460 VanDerWaalsContact O-N 3.14Å; T457-E461 HydrophobicContact CG2-CG 4.4Å; T457-E461 WeakPolarHBondContact O-CG 3.46Å; T457-E461 PolarHBondContact O-N 3.45Å
458E87.8Confident70.7Confident114 Ų114100.7 Ų100.753%0.53350%0.496SS..Hα-helixtrans-60.2-42.4176.6-70.217617600113Q454 I455 N460 E461 G462Q454-E458 WeakPolarHBondContact O-CG 3.45Å; Q454-E458 PolarHBondContact O-N 2.93Å; I455-E458 PolarHBondContact O-N 2.78Å; E458-N460 VanDerWaalsContact C-N 3.3Å; E458-N460 PolarHBondContact O-N 3.03Å; E458-E461 PolarHBondContact O-N 3.33Å; E458-G462 PolarHBondContact O-N 2.72Å
459Y85.9Confident68.4Low88 Ų88104.6 Ų104.635%0.34551%0.506SS..Hα-helixtrans-61.6-38.9175-96.3-109.6000111.9L429 Q434 I455 V456 T457L429-Y459 HydrophobicContact CD1-CD1 4.14Å; L429-Y459 HydrophobicContact CD1-CG 4.01Å; Q434-Y459 HydrophobicContact CB-CD1 4.45Å; Q434-Y459 HydrophobicContact CB-CE1 4.27Å; Q434-Y459 HydrophobicContact CG-CE1 4.45Å; I455-Y459 HydrophobicContact CG2-CD2 3.76Å; I455-Y459 HydrophobicContact CG2-CE2 3.78Å; I455-Y459 WeakPolarHBondContact O-CD2 3.33Å; I455-Y459 PolarHBondContact O-N 3.34Å; V456-Y459 PolarHBondContact O-N 2.9Å; T457-Y459 PolarHBondContact O-N 2.87Å
460N87.7Confident66.2Low44 Ų44105.1 Ų105.124%0.23552%0.521CS..Hα-helixtrans-78-29.2-178.1-76-20000113.6G428 K430 V456 T457 E458 G462G428-N460 PolarHBondContact O-ND2 2.99Å; K430-N460 WeakPolarHBondContact CB-OD1 3.26Å; K430-N460 HydrophobicContact CD-CB 4.29Å; K430-N460 WeakPolarHBondContact CG-OD1 3.44Å; K430-N460 PolarHBondContact N-OD1 3.1Å; V456-N460 WeakPolarHBondContact O-CB 3.36Å; V456-N460 VanDerWaalsContact O-CG 3.25Å; V456-N460 PolarHBondContact O-N 2.78Å; V456-N460 PolarHBondContact O-ND2 2.79Å; T457-N460 PolarHBondContact O-N 2.82Å; T457-N460 VanDerWaalsContact O-N 3.14Å; E458-N460 VanDerWaalsContact C-N 3.3Å; E458-N460 PolarHBondContact O-N 3.03Å; N460-G462 VanDerWaalsContact C-N 3.27Å
461E81Confident63.9Low109 Ų109102.2 Ų102.251%0.50953%0.527SS..THydrogen-bonded Turntrans-79.4-4.8176.8-74.8-171.4-175.300113.6T457 E458 K463T457-E461 HydrophobicContact CG2-CG 4.4Å; T457-E461 WeakPolarHBondContact O-CG 3.46Å; T457-E461 PolarHBondContact O-N 3.45Å; E458-E461 PolarHBondContact O-N 3.33Å; E461-K463 PolarHBondContact O-N 2.91Å; E461-K463 VanDerWaalsContact O-N 3.16Å; E461-K463 IonicContact OE2-NZ 2.75Å; E461-K463 PolarHBondContact OE2-NZ 3.47Å
462G66.2Low61.5Low64 Ų64108.3 Ų108.366%0.6655%0.546SS*.THydrogen-bonded Turntrans67.912.7178.100000114.3E458 N460 A464E458-G462 PolarHBondContact O-N 2.72Å; N460-G462 VanDerWaalsContact C-N 3.27Å; G462-A464 PolarHBondContact O-N 2.9Å
463K46.9Very low58.8Low145 Ų145116.1 Ų116.163%0.6359%0.587SS**  trans-81.359.4174.3-70.2178.2-172.51450110.6E461 K465E461-K463 PolarHBondContact O-N 2.91Å; E461-K463 VanDerWaalsContact O-N 3.16Å; E461-K463 IonicContact OE2-NZ 2.75Å; E461-K463 PolarHBondContact OE2-NZ 3.47Å; K463-K465 PolarHBondContact O-N 3.39Å
464A36.8Very low56.5Low100 Ų100118.1 Ų118.183%0.82661%0.605SS**  trans-72.473.9159.800000108.6G462G462-A464 PolarHBondContact O-N 2.9Å
465K39.1Very low54.6Low192 Ų192122.5 Ų122.584%0.83562%0.622SS**  trans-98.195.9168.1-86.5-169.2177.11800109.6K463 K467K463-K465 PolarHBondContact O-N 3.39Å; K465-K467 PolarHBondContact O-N 3.42Å
466D32.2Very low53.1Low148 Ų148128.9 Ų128.979%0.79165%0.652SS**  trans-11.593.4141.9-161.19.4000114.1
467K36.7Very low52.2Low179 Ų179131.7 Ų131.778%0.77866%0.663SS**  trans-145.9101.1155.3-76.6-162.5178174.40109.4K465 K469K465-K467 PolarHBondContact O-N 3.42Å; K467-K469 VanDerWaalsContact C-N 3.31Å; K467-K469 PolarHBondContact O-N 3.22Å
468R31Very low51.9Low246 Ų246131.3 Ų131.393%0.92866%0.662SS**  trans-44.497.5148-70.3174.3174.6168.4-2.2109.4
469K30.8Very low51.4Low158 Ų158134.2 Ų134.269%0.68767%0.669SS**  trans-133.3109.8149.8-77.1-169.9175.8-178.60105K467K467-K469 VanDerWaalsContact C-N 3.31Å; K467-K469 PolarHBondContact O-N 3.22Å
470G34Very low51.5Low59 Ų59135.5 Ų135.561%0.60867%0.674SS**  trans-52.4168.6171.100000110.7R472G470-R472 PolarHBondContact O-N 3.48Å
471P31.8Very low51.5Low126 Ų126134.2 Ų134.282%0.81867%0.667SS**  trans-51.7112.3-179.224.1-31.6000107L473P471-L473 PolarHBondContact O-N 3.29Å
472R33.2Very low51.7Low212 Ų212133.3 Ų133.380%0.866%0.659SS**  trans-61.6106.1158.3-97.7-178.8168174.5-6.4102G470 T474G470-R472 PolarHBondContact O-N 3.48Å; R472-T474 PolarHBondContact O-N 3.14Å
473L33.7Very low52.5Low164 Ų164133.3 Ų133.386%0.85964%0.642SS**  trans-39.6104.1153.6-77.3146.8000104.4P471 K475P471-L473 PolarHBondContact O-N 3.29Å; L473-K475 VanDerWaalsContact C-N 3.34Å; L473-K475 PolarHBondContact O-N 3.42Å
474T39.7Very low54.5Low126 Ų126128.7 Ų128.777%0.77363%0.628SS**  trans-52.8112.1168.333.40000103R472 E476R472-T474 PolarHBondContact O-N 3.14Å; T474-E476 VanDerWaalsContact C-N 3.32Å; T474-E476 PolarHBondContact O-N 3.11Å
475K47Very low57.1Low204 Ų204125 Ų12589%0.88759%0.594SS**  trans-48.4110.9174.9-98.4-174.5172.7-173.50104.7L473 K477L473-K475 VanDerWaalsContact C-N 3.34Å; L473-K475 PolarHBondContact O-N 3.42Å; K475-K477 PolarHBondContact O-N 3.13Å
476E56Low59.4Low149 Ų149120 Ų12070%0.69658%0.576SS**  trans-50.6125.5179.3-120.5-169.8-148.600106.4T474 R482T474-E476 VanDerWaalsContact C-N 3.32Å; T474-E476 PolarHBondContact O-N 3.11Å; E476-R482 VanDerWaalsContact CD-NH2 3.28Å; E476-R482 IonicContact OE2-CZ 3.38Å; E476-R482 IonicContact OE2-NH1 2.89Å; E476-R482 PolarHBondContact OE2-NH1 3.4Å; E476-R482 IonicContact OE2-NH2 3.01Å; E476-R482 PolarHBondContact OE2-NH2 3.3Å
477K71.7Confident62.1Low67 Ų67121 Ų12129%0.29157%0.569SS.*  trans-50.3131.9-179-77.6-176.9-177.91760107.7K475 Y479 L481 R482 E485 I498K475-K477 PolarHBondContact O-N 3.13Å; K477-Y479 PolarHBondContact O-N 3.12Å; K477-L481 HydrophobicContact CB-CB 4.39Å; K477-R482 HydrophobicContact CB-CG 3.9Å; K477-R482 VanDerWaalsContact O-CZ 3.25Å; K477-R482 PolarHBondContact O-NE 3.23Å; K477-R482 PolarHBondContact O-NH2 2.99Å; K477-E485 VanDerWaalsContact NZ-CD 3.33Å; K477-E485 IonicContact NZ-OE1 2.82Å; K477-E485 PolarHBondContact NZ-OE1 3.26Å; K477-E485 IonicContact NZ-OE2 3.43Å; K477-E485 PolarHBondContact NZ-OE2 3.11Å; K477-I498 WeakPolarHBondContact CE-O 3.14Å; K477-I498 PolarHBondContact NZ-O 3.4Å
478P81Confident64.7Low63 Ų63114.4 Ų114.441%0.40954%0.542SS..  trans-43140172.9-31.233000111.5Y480 L481 R482P478-Y480 HydrophobicContact CB-CD1 3.39Å; P478-Y480 HydrophobicContact CB-CE1 3.28Å; P478-Y480 HydrophobicContact CG-CD1 4.48Å; P478-Y480 HydrophobicContact CG-CE1 3.91Å; P478-Y480 PolarHBondContact O-N 3.03Å; P478-Y480 VanDerWaalsContact O-N 3.11Å; P478-L481 HydrophobicContact CB-CG 4.49Å; P478-L481 HydrophobicContact CG-CD1 4.35Å; P478-L481 WeakPolarHBondContact O-CB 3.48Å; P478-L481 PolarHBondContact O-N 2.89Å; P478-R482 PolarHBondContact O-N 3.13Å
479Y77.7Confident67.5Low176 Ų176105.8 Ų105.869%0.6951%0.513SS*.Hα-helixtrans-48.9-42.9-175.5174.9-99.3000112.5K477 L481 R482 E483K477-Y479 PolarHBondContact O-N 3.12Å; Y479-L481 VanDerWaalsContact C-N 3.27Å; Y479-L481 PolarHBondContact O-N 3.11Å; Y479-R482 PolarHBondContact O-N 3.15Å; Y479-R482 VanDerWaalsContact O-N 3.14Å; Y479-E483 HydrophobicContact CE1-CB 4.4Å; Y479-E483 WeakPolarHBondContact CE1-OE2 3.33Å; Y479-E483 PolarHBondContact O-N 3.37Å
480Y88Confident70.2Confident115 Ų115105 Ų10545%0.45152%0.517SS..Hα-helixtrans-60.7-31.6179.482.9-92.1000113.7P478 S484 E500P478-Y480 HydrophobicContact CB-CD1 3.39Å; P478-Y480 HydrophobicContact CB-CE1 3.28Å; P478-Y480 HydrophobicContact CG-CD1 4.48Å; P478-Y480 HydrophobicContact CG-CE1 3.91Å; P478-Y480 PolarHBondContact O-N 3.03Å; P478-Y480 VanDerWaalsContact O-N 3.11Å; Y480-S484 VanDerWaalsContact O-CB 3.26Å; Y480-S484 WeakPolarHBondContact O-CB 3.49Å; Y480-S484 PolarHBondContact O-N 2.75Å; Y480-S484 PolarHBondContact O-OG 2.92Å; Y480-E500 VanDerWaalsContact OH-CD 3.24Å; Y480-E500 PolarHBondContact OH-OE2 2.75Å
481L88.1Confident72.8Confident16 Ų16108 Ų1088%0.08451%0.513CS..Hα-helixtrans-73.4-41.9175.8-69.1-176.4000111.2K477 P478 Y479 S484 E485 I498 E500K477-L481 HydrophobicContact CB-CB 4.39Å; P478-L481 HydrophobicContact CB-CG 4.49Å; P478-L481 HydrophobicContact CG-CD1 4.35Å; P478-L481 WeakPolarHBondContact O-CB 3.48Å; P478-L481 PolarHBondContact O-N 2.89Å; Y479-L481 VanDerWaalsContact C-N 3.27Å; Y479-L481 PolarHBondContact O-N 3.11Å; L481-S484 PolarHBondContact O-N 2.87Å; L481-E485 WeakPolarHBondContact O-CG 2.94Å; L481-E485 PolarHBondContact O-N 3.47Å; L481-I498 HydrophobicContact CD2-CG2 3.76Å; L481-E500 HydrophobicContact CD1-CB 4.01Å
482R83.9Confident75.6Confident91 Ų91102.3 Ų102.334%0.34348%0.475SS..Hα-helixtrans-65.1-46.5176.8-68.6-174.1-124.2171.57.7111.3E476 K477 P478 Y479 S484 E485 D486E476-R482 VanDerWaalsContact CD-NH2 3.28Å; E476-R482 IonicContact OE2-CZ 3.38Å; E476-R482 IonicContact OE2-NH1 2.89Å; E476-R482 PolarHBondContact OE2-NH1 3.4Å; E476-R482 IonicContact OE2-NH2 3.01Å; E476-R482 PolarHBondContact OE2-NH2 3.3Å; K477-R482 HydrophobicContact CB-CG 3.9Å; K477-R482 VanDerWaalsContact O-CZ 3.25Å; K477-R482 PolarHBondContact O-NE 3.23Å; K477-R482 PolarHBondContact O-NH2 2.99Å; P478-R482 PolarHBondContact O-N 3.13Å; Y479-R482 PolarHBondContact O-N 3.15Å; Y479-R482 VanDerWaalsContact O-N 3.14Å; R482-S484 PolarHBondContact O-N 3.27Å; R482-E485 WeakPolarHBondContact O-CB 3.41Å; R482-E485 PolarHBondContact O-N 2.8Å; R482-E485 VanDerWaalsContact O-N 3.12Å; R482-D486 PolarHBondContact O-N 3.17Å
483E83.6Confident78.1Confident63 Ų6395.1 Ų95.129%0.29447%0.467SS..Hα-helixtrans-62.2-35.3176.7-167.8-174.8178.300111.7Y479 R487Y479-E483 HydrophobicContact CE1-CB 4.4Å; Y479-E483 WeakPolarHBondContact CE1-OE2 3.33Å; Y479-E483 PolarHBondContact O-N 3.37Å; E483-R487 WeakPolarHBondContact O-CB 3.41Å; E483-R487 VanDerWaalsContact O-CG 3.29Å; E483-R487 WeakPolarHBondContact O-CG 3.41Å; E483-R487 PolarHBondContact O-N 3.04Å; E483-R487 VanDerWaalsContact O-N 3.1Å; E483-R487 IonicContact OE1-CZ 2.7Å; E483-R487 IonicContact OE1-NE 3.53Å; E483-R487 PolarHBondContact OE1-NE 3.21Å; E483-R487 IonicContact OE1-NH2 3.84Å; E483-R487 PolarHBondContact OE1-NH2 2.92Å
484S89.4Confident80.7Confident49 Ų4988.2 Ų88.234%0.34343%0.432SS..Hα-helixtrans-68.2-41.2173.5-61.70000112.1Y480 L481 R482 L488Y480-S484 VanDerWaalsContact O-CB 3.26Å; Y480-S484 WeakPolarHBondContact O-CB 3.49Å; Y480-S484 PolarHBondContact O-N 2.75Å; Y480-S484 PolarHBondContact O-OG 2.92Å; L481-S484 PolarHBondContact O-N 2.87Å; R482-S484 PolarHBondContact O-N 3.27Å; S484-L488 WeakPolarHBondContact O-CB 3.48Å; S484-L488 WeakPolarHBondContact O-CD1 3.31Å; S484-L488 WeakPolarHBondContact O-CG 3.46Å; S484-L488 PolarHBondContact O-N 3.03Å
485E91.7Very high83Confident22 Ų2283.6 Ų83.610%0.10341%0.409CS..Hα-helixtrans-58.6-50.7174-76175.3155.100111K477 L481 R482 R487 L488 M489 I498K477-E485 VanDerWaalsContact NZ-CD 3.33Å; K477-E485 IonicContact NZ-OE1 2.82Å; K477-E485 PolarHBondContact NZ-OE1 3.26Å; K477-E485 IonicContact NZ-OE2 3.43Å; K477-E485 PolarHBondContact NZ-OE2 3.11Å; L481-E485 WeakPolarHBondContact O-CG 2.94Å; L481-E485 PolarHBondContact O-N 3.47Å; R482-E485 WeakPolarHBondContact O-CB 3.41Å; R482-E485 PolarHBondContact O-N 2.8Å; R482-E485 VanDerWaalsContact O-N 3.12Å; E485-R487 PolarHBondContact O-N 2.58Å; E485-L488 PolarHBondContact O-N 3.04Å; E485-L488 VanDerWaalsContact O-N 3.16Å; E485-M489 WeakPolarHBondContact O-CG 3.44Å; E485-M489 PolarHBondContact O-N 2.81Å; E485-I498 HydrophobicContact CG-CB 4.01Å; E485-I498 HydrophobicContact CG-CD1 3.83Å; E485-I498 HydrophobicContact CG-CG1 3.64Å; E485-I498 PolarHBondContact OE1-N 3.37Å
486D85.7Confident85.2Confident88 Ų8874.5 Ų74.547%0.47137%0.37SS..Hα-helixtrans-59.4-47.9-179.4-67.3-23.3000111.8R482 L488 M489 D490R482-D486 PolarHBondContact O-N 3.17Å; D486-L488 VanDerWaalsContact C-N 3.29Å; D486-L488 PolarHBondContact O-N 2.9Å; D486-M489 HydrophobicContact CB-CE 4.49Å; D486-M489 PolarHBondContact O-N 3.22Å; D486-M489 WeakPolarHBondContact OD1-CE 3.45Å; D486-D490 PolarHBondContact O-N 3.09Å
487R88.8Confident86.9Confident167 Ų16772.3 Ų72.363%0.6336%0.36SS*.Hα-helixtrans-63.1-34.2177.7-71.5179.2-174.8-146.26.6113E483 E485 K491E483-R487 WeakPolarHBondContact O-CB 3.41Å; E483-R487 VanDerWaalsContact O-CG 3.29Å; E483-R487 WeakPolarHBondContact O-CG 3.41Å; E483-R487 PolarHBondContact O-N 3.04Å; E483-R487 VanDerWaalsContact O-N 3.1Å; E483-R487 IonicContact OE1-CZ 2.7Å; E483-R487 IonicContact OE1-NE 3.53Å; E483-R487 PolarHBondContact OE1-NE 3.21Å; E483-R487 IonicContact OE1-NH2 3.84Å; E483-R487 PolarHBondContact OE1-NH2 2.92Å; E485-R487 PolarHBondContact O-N 2.58Å; R487-K491 VanDerWaalsContact O-CB 3.3Å; R487-K491 WeakPolarHBondContact O-CB 3.39Å; R487-K491 PolarHBondContact O-N 3.49Å
488L92.3Very high87.8Confident41 Ų4169.9 Ų69.922%0.21535%0.35CS..Hα-helixtrans-75.9-37.4177.1-67.7170.1000111.2S484 E485 D486 K491 F492 V496 I498 I507S484-L488 WeakPolarHBondContact O-CB 3.48Å; S484-L488 WeakPolarHBondContact O-CD1 3.31Å; S484-L488 WeakPolarHBondContact O-CG 3.46Å; S484-L488 PolarHBondContact O-N 3.03Å; E485-L488 PolarHBondContact O-N 3.04Å; E485-L488 VanDerWaalsContact O-N 3.16Å; D486-L488 VanDerWaalsContact C-N 3.29Å; D486-L488 PolarHBondContact O-N 2.9Å; L488-K491 PolarHBondContact O-N 3.43Å; L488-F492 HydrophobicContact CB-CD2 4.24Å; L488-F492 HydrophobicContact CB-CE2 4.28Å; L488-F492 HydrophobicContact CD2-CE2 3.8Å; L488-F492 WeakPolarHBondContact O-CB 3.37Å; L488-F492 WeakPolarHBondContact O-CD2 3.3Å; L488-F492 PolarHBondContact O-N 3.01Å; L488-V496 HydrophobicContact CB-CB 4.11Å; L488-V496 HydrophobicContact CB-CG1 3.79Å; L488-V496 HydrophobicContact CB-CG2 3.91Å; L488-V496 HydrophobicContact CD1-CG1 3.89Å; L488-I498 HydrophobicContact CD1-CD1 4.05Å; L488-I507 HydrophobicContact CD1-CG2 4.23Å
489M90.3Very high88.1Confident66 Ų6670.3 Ų70.333%0.32535%0.352SS..Hα-helixtrans-60.9-45.2172.5-72.4-171-64.900111E485 D486 K491 G493 T494 V496E485-M489 WeakPolarHBondContact O-CG 3.44Å; E485-M489 PolarHBondContact O-N 2.81Å; D486-M489 HydrophobicContact CB-CE 4.49Å; D486-M489 PolarHBondContact O-N 3.22Å; D486-M489 WeakPolarHBondContact OD1-CE 3.45Å; M489-K491 VanDerWaalsContact C-N 3.35Å; M489-K491 PolarHBondContact O-N 3.29Å; M489-G493 VanDerWaalsContact O-CA 3.29Å; M489-G493 WeakPolarHBondContact O-CA 3.18Å; M489-G493 PolarHBondContact O-N 3.27Å; M489-T494 WeakPolarHBondContact CA-O 3.18Å; M489-T494 WeakPolarHBondContact CG-O 3.33Å; M489-V496 HydrophobicContact CG-CB 3.83Å; M489-V496 HydrophobicContact CG-CG2 4.05Å
490D85.8Confident88.5Confident142 Ų14266.2 Ų66.276%0.75934%0.339SS*.Hα-helixtrans-62-42.2175.2-74.2-16.1000111.8D486D486-D490 PolarHBondContact O-N 3.09Å
491K89.4Confident88.2Confident122 Ų12268 Ų6853%0.5335%0.349SS..Hα-helixtrans-68.6-42.6-178.9-174.5174.2-178.3-177.10112.6R487 L488 M489 I523R487-K491 VanDerWaalsContact O-CB 3.3Å; R487-K491 WeakPolarHBondContact O-CB 3.39Å; R487-K491 PolarHBondContact O-N 3.49Å; L488-K491 PolarHBondContact O-N 3.43Å; M489-K491 VanDerWaalsContact C-N 3.35Å; M489-K491 PolarHBondContact O-N 3.29Å; K491-I523 HydrophobicContact CD-CG2 4.46Å; K491-I523 HydrophobicContact CG-CG2 4.03Å
492F90.3Very high87.7Confident6 Ų674.4 Ų74.43%0.02638%0.383CS..Hα-helixtrans-93.2-14.8-176.6-63.4-59.5000113.4L488 T494 V496 I509 R519 I520 I523 L524L488-F492 HydrophobicContact CB-CD2 4.24Å; L488-F492 HydrophobicContact CB-CE2 4.28Å; L488-F492 HydrophobicContact CD2-CE2 3.8Å; L488-F492 WeakPolarHBondContact O-CB 3.37Å; L488-F492 WeakPolarHBondContact O-CD2 3.3Å; L488-F492 PolarHBondContact O-N 3.01Å; F492-T494 HydrophobicContact CB-CG2 3.79Å; F492-T494 PolarHBondContact O-N 3.23Å; F492-V496 HydrophobicContact CD2-CG2 4.09Å; F492-I509 HydrophobicContact CB-CG2 4.41Å; F492-I509 HydrophobicContact CD2-CD1 3.88Å; F492-I509 HydrophobicContact CD2-CG1 4.26Å; F492-I509 HydrophobicContact CD2-CG2 4.28Å; F492-I509 HydrophobicContact CE1-CD1 4.4Å; F492-I509 HydrophobicContact CE2-CD1 3.44Å; F492-I509 VanDerWaalsContact CE2-CD1 3.44Å; F492-I509 HydrophobicContact CE2-CG1 4.19Å; F492-I509 HydrophobicContact CG-CG2 4.34Å; F492-I509 HydrophobicContact CZ-CD1 3.76Å; F492-R519 VanDerWaalsContact O-CZ 3.22Å; F492-R519 PolarHBondContact O-NH1 3.21Å; F492-R519 PolarHBondContact O-NH2 3.36Å; F492-I520 HydrophobicContact CD1-CG2 4.11Å; F492-I520 HydrophobicContact CE1-CG2 4.32Å; F492-I523 HydrophobicContact CD1-CB 4.32Å; F492-I523 HydrophobicContact CD1-CD1 4.47Å; F492-I523 HydrophobicContact CD1-CG2 3.81Å; F492-I523 HydrophobicContact CE1-CB 4.36Å; F492-I523 HydrophobicContact CE1-CG2 3.72Å; F492-L524 HydrophobicContact CE1-CD2 3.85Å; F492-L524 HydrophobicContact CE1-CG 3.95Å; F492-L524 HydrophobicContact CZ-CD2 3.75Å; F492-L524 HydrophobicContact CZ-CG 4.3Å
493G85.8Confident87.7Confident61 Ų6173.3 Ų73.363%0.62940%0.401SS*.THydrogen-bonded Turntrans63.127.9-176.400000113.6M489M489-G493 VanDerWaalsContact O-CA 3.29Å; M489-G493 WeakPolarHBondContact O-CA 3.18Å; M489-G493 PolarHBondContact O-N 3.27Å
494T88.9Confident87.8Confident19 Ų1978.4 Ų78.412%0.11742%0.422CS..SBendtrans-150.1168.9-176.7-1700000110.5M489 F492 V496 I509 E510 I520M489-T494 WeakPolarHBondContact CA-O 3.18Å; M489-T494 WeakPolarHBondContact CG-O 3.33Å; F492-T494 HydrophobicContact CB-CG2 3.79Å; F492-T494 PolarHBondContact O-N 3.23Å; T494-V496 PolarHBondContact O-N 2.84Å; T494-I509 HydrophobicContact CG2-CG2 3.54Å; T494-E510 WeakPolarHBondContact CB-O 3.27Å; T494-E510 WeakPolarHBondContact CG2-O 3.44Å; T494-E510 PolarHBondContact OG1-O 3.04Å; T494-I520 HydrophobicContact CG2-CD1 4.09Å
495G88Confident87.7Confident29 Ų2979 Ų7930%0.29944%0.435SS..  trans-62.7130.6179.200000112.6E510G495-E510 PolarHBondContact O-N 3.14Å
496V91.8Very high87.5Confident12 Ų1284.7 Ų84.77%0.07346%0.46CS..EExtended strand (participates in β ladder)trans-126.9130.9175.4-1780000110.3L488 M489 F492 T494 I507 S508 I509L488-V496 HydrophobicContact CB-CB 4.11Å; L488-V496 HydrophobicContact CB-CG1 3.79Å; L488-V496 HydrophobicContact CB-CG2 3.91Å; L488-V496 HydrophobicContact CD1-CG1 3.89Å; M489-V496 HydrophobicContact CG-CB 3.83Å; M489-V496 HydrophobicContact CG-CG2 4.05Å; F492-V496 HydrophobicContact CD2-CG2 4.09Å; T494-V496 PolarHBondContact O-N 2.84Å; V496-I507 HydrophobicContact CG1-CG2 3.95Å; V496-S508 CarbonylContact C-O 3.39Å; V496-S508 VanDerWaalsContact CA-O 3.32Å; V496-S508 WeakPolarHBondContact CA-O 3.43Å; V496-I509 HydrophobicContact CG2-CG1 4.31Å; V496-I509 HydrophobicContact CG2-CG2 4.46Å
497E92Very high87.8Confident104 Ų10485.3 Ų85.349%0.48646%0.462SS..EExtended strand (participates in β ladder)trans-125125.4175.4-170.1-175.7-165.500111.1V499 I507 S508E497-V499 HydrophobicContact CG-CG2 4.07Å; E497-I507 CarbonylContact O-C 3.54Å; E497-I507 WeakPolarHBondContact O-CA 3.12Å; E497-S508 PolarHBondContact N-O 2.65Å; E497-S508 PolarHBondContact O-N 3.23Å
498I90.9Very high88Confident16 Ų1679 Ų798%0.08244%0.444CS..EExtended strand (participates in β ladder)trans-106.3122.9171.8-51.5175.7000109.4K477 L481 E485 L488 K506 I507K477-I498 WeakPolarHBondContact CE-O 3.14Å; K477-I498 PolarHBondContact NZ-O 3.4Å; L481-I498 HydrophobicContact CD2-CG2 3.76Å; E485-I498 HydrophobicContact CG-CB 4.01Å; E485-I498 HydrophobicContact CG-CD1 3.83Å; E485-I498 HydrophobicContact CG-CG1 3.64Å; E485-I498 PolarHBondContact OE1-N 3.37Å; L488-I498 HydrophobicContact CD1-CD1 4.05Å; I498-K506 WeakPolarHBondContact CA-O 3.47Å; I498-I507 HydrophobicContact CG1-CG1 4.23Å; I498-I507 HydrophobicContact CG1-CG2 4.36Å; I498-I507 HydrophobicContact CG2-CG1 4.45Å
499V88.3Confident88Confident72 Ų7279.6 Ų79.644%0.43645%0.447SS..EExtended strand (participates in β ladder)trans-120.2119.4175.6-177.30000108.9E497 G505 K506E497-V499 HydrophobicContact CG-CG2 4.07Å; V499-G505 CarbonylContact O-C 3.17Å; V499-G505 WeakPolarHBondContact O-CA 3.17Å; V499-K506 PolarHBondContact N-O 3.38Å; V499-K506 PolarHBondContact O-N 3.24Å
500E85.4Confident88Confident89 Ų8982.7 Ų82.742%0.41646%0.46SS..EExtended strand (participates in β ladder)trans-112.2139.5178.9-165.7-160171.600111.3Y480 L481 K504Y480-E500 VanDerWaalsContact OH-CD 3.24Å; Y480-E500 PolarHBondContact OH-OE2 2.75Å; L481-E500 HydrophobicContact CD1-CB 4.01Å; E500-K504 CarbonylContact C-O 3.52Å; E500-K504 WeakPolarHBondContact CA-O 3.38Å
501K82Confident88.2Confident154 Ų15482.2 Ų82.267%0.6745%0.449SS*.EExtended strand (participates in β ladder)trans-151.5125.6171.2-172.1179.5175.9-171.50111G503 K504K501-G503 PolarHBondContact O-N 3.48Å; K501-K504 CarbonylContact C-O 3.57Å; K501-K504 PolarHBondContact N-O 2.97Å; K501-K504 PolarHBondContact O-N 3.05Å; K501-K504 VanDerWaalsContact O-N 3.1Å
502D77.7Confident88Confident149 Ų14983.7 Ų83.780%0.79746%0.462SS*.THydrogen-bonded Turntrans53.944.4173-55-39.1000114K504D502-K504 PolarHBondContact O-N 3.37Å
503G82.9Confident87.9Confident69 Ų6985.1 Ų85.171%0.71147%0.472SS*.THydrogen-bonded Turntrans74.48.2179.700000114.9K501K501-G503 PolarHBondContact O-N 3.48Å
504K86.1Confident88Confident170 Ų17087.1 Ų87.174%0.73947%0.474SS*.EExtended strand (participates in β ladder)trans-123.6155.9172.7-62.7-178.3-178.1-179.40109.1E500 K501 D502E500-K504 CarbonylContact C-O 3.52Å; E500-K504 WeakPolarHBondContact CA-O 3.38Å; K501-K504 CarbonylContact C-O 3.57Å; K501-K504 PolarHBondContact N-O 2.97Å; K501-K504 PolarHBondContact O-N 3.05Å; K501-K504 VanDerWaalsContact O-N 3.1Å; D502-K504 PolarHBondContact O-N 3.37Å
505G86.9Confident87.7Confident61 Ų6189.5 Ų89.563%0.62949%0.492SS*.EExtended strand (participates in β ladder)trans-155.5174.2178.100000113.4V499V499-G505 CarbonylContact O-C 3.17Å; V499-G505 WeakPolarHBondContact O-CA 3.17Å
506K89Confident87.8Confident141 Ų14189.1 Ų89.161%0.61348%0.482SS*.EExtended strand (participates in β ladder)trans-126134.5172.4-176.6-179.4176.8-170.40108.5I498 V499 S508I498-K506 WeakPolarHBondContact CA-O 3.47Å; V499-K506 PolarHBondContact N-O 3.38Å; V499-K506 PolarHBondContact O-N 3.24Å; K506-S508 WeakPolarHBondContact CE-OG 3.48Å
507I92.2Very high87.8Confident101 Ų10191.5 Ų91.552%0.51849%0.494SS..EExtended strand (participates in β ladder)trans-103.1128.2165.3-52.4179.7000106.4L488 V496 E497 I498 I509L488-I507 HydrophobicContact CD1-CG2 4.23Å; V496-I507 HydrophobicContact CG1-CG2 3.95Å; E497-I507 CarbonylContact O-C 3.54Å; E497-I507 WeakPolarHBondContact O-CA 3.12Å; I498-I507 HydrophobicContact CG1-CG1 4.23Å; I498-I507 HydrophobicContact CG1-CG2 4.36Å; I498-I507 HydrophobicContact CG2-CG1 4.45Å; I507-I509 HydrophobicContact CG2-CG1 4.46Å
508S92.3Very high87.7Confident35 Ų3590.1 Ų90.125%0.24549%0.493CS..EExtended strand (participates in β ladder)trans-117124.8175.7-50.70000108.3V496 E497 K506V496-S508 CarbonylContact C-O 3.39Å; V496-S508 VanDerWaalsContact CA-O 3.32Å; V496-S508 WeakPolarHBondContact CA-O 3.43Å; E497-S508 PolarHBondContact N-O 2.65Å; E497-S508 PolarHBondContact O-N 3.23Å; K506-S508 WeakPolarHBondContact CE-OG 3.48Å
509I92.9Very high87.7Confident54 Ų5493.6 Ų93.628%0.27751%0.505SS..EExtended strand (participates in β ladder)trans-111.7120.5175.2-55.4168.5000106F492 T494 V496 I507 I520F492-I509 HydrophobicContact CB-CG2 4.41Å; F492-I509 HydrophobicContact CD2-CD1 3.88Å; F492-I509 HydrophobicContact CD2-CG1 4.26Å; F492-I509 HydrophobicContact CD2-CG2 4.28Å; F492-I509 HydrophobicContact CE1-CD1 4.4Å; F492-I509 HydrophobicContact CE2-CD1 3.44Å; F492-I509 VanDerWaalsContact CE2-CD1 3.44Å; F492-I509 HydrophobicContact CE2-CG1 4.19Å; F492-I509 HydrophobicContact CG-CG2 4.34Å; F492-I509 HydrophobicContact CZ-CD1 3.76Å; T494-I509 HydrophobicContact CG2-CG2 3.54Å; V496-I509 HydrophobicContact CG2-CG1 4.31Å; V496-I509 HydrophobicContact CG2-CG2 4.46Å; I507-I509 HydrophobicContact CG2-CG1 4.46Å; I509-I520 HydrophobicContact CG2-CD1 4.06Å; I509-I520 HydrophobicContact CG2-CG2 4.3Å
510E88.9Confident87.9Confident130 Ų13090.6 Ų90.661%0.60749%0.487SS*.  trans-79.1140.6176.4-66.9-171.4163.200110.1T494 G495T494-E510 WeakPolarHBondContact CB-O 3.27Å; T494-E510 WeakPolarHBondContact CG2-O 3.44Å; T494-E510 PolarHBondContact OG1-O 3.04Å; G495-E510 PolarHBondContact O-N 3.14Å
511Y91.2Very high88.2Confident133 Ų13388.2 Ų88.252%0.52248%0.477SS..  trans-125.7140.7170.465.1-89.4000108.9S513 D516 L517Y511-S513 WeakPolarHBondContact CD2-O 2.94Å; Y511-D516 VanDerWaalsContact CA-OD2 3.29Å; Y511-D516 WeakPolarHBondContact CA-OD2 3.46Å; Y511-L517 HydrophobicContact CD1-CD1 4.17Å; Y511-L517 HydrophobicContact CD2-CB 3.96Å; Y511-L517 HydrophobicContact CE2-CD2 4.5Å; Y511-L517 HydrophobicContact CG-CB 4.04Å; Y511-L517 HydrophobicContact CG-CD1 4.35Å
512L85.6Confident88.5Confident153 Ų15384.6 Ų84.680%0.80147%0.465SS*.SBendtrans-94.9-18-173.3-60.7175.5000112.9D516L512-D516 PolarHBondContact N-OD2 3.11Å
513S87.4Confident89.1Confident35 Ų3579.9 Ų79.925%0.24544%0.439CS..SBendtrans-158.4168.3-178.973.10000111.8Y511 S515 D516 L517Y511-S513 WeakPolarHBondContact CD2-O 2.94Å; S513-S515 VanDerWaalsContact C-N 3.29Å; S513-S515 PolarHBondContact O-N 3.33Å; S513-S515 PolarHBondContact OG-N 3.1Å; S513-S515 PolarHBondContact OG-OG 3.39Å; S513-D516 WeakPolarHBondContact O-CB 3.21Å; S513-D516 PolarHBondContact O-N 2.79Å; S513-D516 WeakPolarHBondContact OG-CB 3.25Å; S513-D516 PolarHBondContact OG-N 3.04Å; S513-L517 PolarHBondContact O-N 3.17Å
514P87Confident89.6Confident104 Ų10480.2 Ų80.268%0.67542%0.424SS*.Hα-helixtrans-60.4-32.7171.7-25.335.5000114.2L517 T518P514-L517 PolarHBondContact O-N 3.25Å; P514-T518 PolarHBondContact O-N 3.3Å; P514-T518 PolarHBondContact O-OG1 3.05Å
515S84.2Confident89.7Confident69 Ų6978.4 Ų78.448%0.48342%0.423SS..Hα-helixtrans-71-36.9174.955.90000111.8S513 L517 T518 R519S513-S515 VanDerWaalsContact C-N 3.29Å; S513-S515 PolarHBondContact O-N 3.33Å; S513-S515 PolarHBondContact OG-N 3.1Å; S513-S515 PolarHBondContact OG-OG 3.39Å; S515-L517 VanDerWaalsContact C-N 3.35Å; S515-T518 WeakPolarHBondContact O-CB 3.36Å; S515-T518 PolarHBondContact O-N 3.37Å; S515-R519 WeakPolarHBondContact O-CB 3.38Å; S515-R519 PolarHBondContact O-N 3.08Å
516D90Very high89.8Confident20 Ų2078.9 Ų78.911%0.10741%0.41CS..Hα-helixtrans-64.4-41.6173.9-166.838.7000111.2Y511 L512 S513 T518 R519 I520Y511-D516 VanDerWaalsContact CA-OD2 3.29Å; Y511-D516 WeakPolarHBondContact CA-OD2 3.46Å; L512-D516 PolarHBondContact N-OD2 3.11Å; S513-D516 WeakPolarHBondContact O-CB 3.21Å; S513-D516 PolarHBondContact O-N 2.79Å; S513-D516 WeakPolarHBondContact OG-CB 3.25Å; S513-D516 PolarHBondContact OG-N 3.04Å; D516-T518 PolarHBondContact O-N 3.43Å; D516-R519 PolarHBondContact O-N 3.26Å; D516-R519 IonicContact OD1-CZ 3.26Å; D516-R519 VanDerWaalsContact OD1-CZ 3.29Å; D516-R519 IonicContact OD1-NE 3.51Å; D516-R519 PolarHBondContact OD1-NE 2.68Å; D516-R519 VanDerWaalsContact OD1-NE 3.15Å; D516-R519 IonicContact OD1-NH2 2.72Å; D516-R519 PolarHBondContact OD1-NH2 2.71Å; D516-I520 WeakPolarHBondContact O-CD1 3.39Å; D516-I520 WeakPolarHBondContact O-CG1 3.25Å; D516-I520 PolarHBondContact O-N 3.17Å
517L91.6Very high89.4Confident62 Ų6278.4 Ų78.433%0.32541%0.41SS..Hα-helixtrans-59.9-44.9170.8178.661.7000111.7Y511 S513 P514 S515 I520 L521Y511-L517 HydrophobicContact CD1-CD1 4.17Å; Y511-L517 HydrophobicContact CD2-CB 3.96Å; Y511-L517 HydrophobicContact CE2-CD2 4.5Å; Y511-L517 HydrophobicContact CG-CB 4.04Å; Y511-L517 HydrophobicContact CG-CD1 4.35Å; S513-L517 PolarHBondContact O-N 3.17Å; P514-L517 PolarHBondContact O-N 3.25Å; S515-L517 VanDerWaalsContact C-N 3.35Å; L517-I520 PolarHBondContact O-N 3.2Å; L517-L521 HydrophobicContact CD1-CD1 4.34Å; L517-L521 HydrophobicContact CD1-CG 4.33Å; L517-L521 HydrophobicContact CG-CD1 4.07Å; L517-L521 VanDerWaalsContact O-CG 3.24Å; L517-L521 WeakPolarHBondContact O-CG 3.3Å; L517-L521 PolarHBondContact O-N 3.13Å
518T88.6Confident88.6Confident75 Ų7581.3 Ų81.346%0.4642%0.419SS..Hα-helixtrans-60.9-46.7177.9-52.10000110.8P514 S515 D516 I520 L521 D522P514-T518 PolarHBondContact O-N 3.3Å; P514-T518 PolarHBondContact O-OG1 3.05Å; S515-T518 WeakPolarHBondContact O-CB 3.36Å; S515-T518 PolarHBondContact O-N 3.37Å; D516-T518 PolarHBondContact O-N 3.43Å; T518-I520 VanDerWaalsContact C-N 3.34Å; T518-I520 PolarHBondContact O-N 2.95Å; T518-L521 WeakPolarHBondContact O-CB 3.31Å; T518-L521 PolarHBondContact O-N 2.78Å; T518-L521 VanDerWaalsContact O-N 3.12Å; T518-D522 PolarHBondContact O-N 2.96Å
519R91.5Very high87.3Confident90 Ų9087.2 Ų87.234%0.3445%0.447SS..Hα-helixtrans-58.1-42.6174.5-177-174.267.779.5-1.4112.3F492 S515 D516 D522 I523F492-R519 VanDerWaalsContact O-CZ 3.22Å; F492-R519 PolarHBondContact O-NH1 3.21Å; F492-R519 PolarHBondContact O-NH2 3.36Å; S515-R519 WeakPolarHBondContact O-CB 3.38Å; S515-R519 PolarHBondContact O-N 3.08Å; D516-R519 PolarHBondContact O-N 3.26Å; D516-R519 IonicContact OD1-CZ 3.26Å; D516-R519 VanDerWaalsContact OD1-CZ 3.29Å; D516-R519 IonicContact OD1-NE 3.51Å; D516-R519 PolarHBondContact OD1-NE 2.68Å; D516-R519 VanDerWaalsContact OD1-NE 3.15Å; D516-R519 IonicContact OD1-NH2 2.72Å; D516-R519 PolarHBondContact OD1-NH2 2.71Å; R519-D522 PolarHBondContact O-N 2.77Å; R519-I523 HydrophobicContact CG-CD1 4.25Å; R519-I523 WeakPolarHBondContact O-CD1 3.24Å; R519-I523 VanDerWaalsContact O-CG1 3.24Å; R519-I523 WeakPolarHBondContact O-CG1 3.15Å; R519-I523 PolarHBondContact O-N 2.88Å
520I91.5Very high85.1Confident8 Ų894 Ų944%0.04148%0.478CS..Hα-helixtrans-64.1-41.7175.8-69.6160.9000110.7F492 T494 I509 D516 L517 T518 I523 L524F492-I520 HydrophobicContact CD1-CG2 4.11Å; F492-I520 HydrophobicContact CE1-CG2 4.32Å; T494-I520 HydrophobicContact CG2-CD1 4.09Å; I509-I520 HydrophobicContact CG2-CD1 4.06Å; I509-I520 HydrophobicContact CG2-CG2 4.3Å; D516-I520 WeakPolarHBondContact O-CD1 3.39Å; D516-I520 WeakPolarHBondContact O-CG1 3.25Å; D516-I520 PolarHBondContact O-N 3.17Å; L517-I520 PolarHBondContact O-N 3.2Å; T518-I520 VanDerWaalsContact C-N 3.34Å; T518-I520 PolarHBondContact O-N 2.95Å; I520-I523 PolarHBondContact O-N 3.06Å; I520-L524 HydrophobicContact CG2-CD1 4.21Å; I520-L524 WeakPolarHBondContact O-CG 3.47Å; I520-L524 PolarHBondContact O-N 2.88Å
521L92.4Very high82.5Confident39 Ų3997.8 Ų97.820%0.20451%0.51CS..Hα-helixtrans-64.9-39.6176.4-69.3168.1000111.9L517 T518 L524 N525 I526 F528L517-L521 HydrophobicContact CD1-CD1 4.34Å; L517-L521 HydrophobicContact CD1-CG 4.33Å; L517-L521 HydrophobicContact CG-CD1 4.07Å; L517-L521 VanDerWaalsContact O-CG 3.24Å; L517-L521 WeakPolarHBondContact O-CG 3.3Å; L517-L521 PolarHBondContact O-N 3.13Å; T518-L521 WeakPolarHBondContact O-CB 3.31Å; T518-L521 PolarHBondContact O-N 2.78Å; T518-L521 VanDerWaalsContact O-N 3.12Å; L521-L524 CarbonylContact O-C 3.55Å; L521-L524 WeakPolarHBondContact O-CA 3.34Å; L521-L524 WeakPolarHBondContact O-CB 3.39Å; L521-L524 PolarHBondContact O-N 3.07Å; L521-L524 VanDerWaalsContact O-N 3.09Å; L521-N525 PolarHBondContact O-N 3Å; L521-N525 VanDerWaalsContact O-N 3.12Å; L521-I526 HydrophobicContact CB-CB 4.39Å; L521-I526 HydrophobicContact CD2-CB 4.15Å; L521-I526 HydrophobicContact CD2-CD1 4.02Å; L521-I526 HydrophobicContact CD2-CG2 4.15Å; L521-I526 PolarHBondContact O-N 2.63Å; L521-F528 HydrophobicContact CD1-CE2 3.95Å
522D89.3Confident82.1Confident78 Ų7896.1 Ų96.142%0.41751%0.51SS..Hα-helixtrans-63.2-42.7173.8-69.9-28.6000111.5T518 R519 L524 N525 H527T518-D522 PolarHBondContact O-N 2.96Å; R519-D522 PolarHBondContact O-N 2.77Å; D522-L524 PolarHBondContact O-N 3.4Å; D522-N525 WeakPolarHBondContact O-CA 3.35Å; D522-N525 PolarHBondContact O-N 3.15Å; D522-H527 IonicContact OD1-CE1 2.73Å; D522-H527 IonicContact OD1-ND1 3.65Å
523I89.8Confident81.9Confident50 Ų5093.1 Ų93.126%0.25650%0.495SS..Hα-helixtrans-61.9-29174.2-67.6163.4000111.5K491 F492 R519 I520 N525K491-I523 HydrophobicContact CD-CG2 4.46Å; K491-I523 HydrophobicContact CG-CG2 4.03Å; F492-I523 HydrophobicContact CD1-CB 4.32Å; F492-I523 HydrophobicContact CD1-CD1 4.47Å; F492-I523 HydrophobicContact CD1-CG2 3.81Å; F492-I523 HydrophobicContact CE1-CB 4.36Å; F492-I523 HydrophobicContact CE1-CG2 3.72Å; R519-I523 HydrophobicContact CG-CD1 4.25Å; R519-I523 WeakPolarHBondContact O-CD1 3.24Å; R519-I523 VanDerWaalsContact O-CG1 3.24Å; R519-I523 WeakPolarHBondContact O-CG1 3.15Å; R519-I523 PolarHBondContact O-N 2.88Å; I520-I523 PolarHBondContact O-N 3.06Å; I523-N525 VanDerWaalsContact C-N 3.3Å
524L92.3Very high81.6Confident76 Ų7696.3 Ų96.340%0.39851%0.508SS..THydrogen-bonded Turntrans-83.9-1.1174.3-69172.2000113.4F492 I520 L521 D522 I526F492-L524 HydrophobicContact CE1-CD2 3.85Å; F492-L524 HydrophobicContact CE1-CG 3.95Å; F492-L524 HydrophobicContact CZ-CD2 3.75Å; F492-L524 HydrophobicContact CZ-CG 4.3Å; I520-L524 HydrophobicContact CG2-CD1 4.21Å; I520-L524 WeakPolarHBondContact O-CG 3.47Å; I520-L524 PolarHBondContact O-N 2.88Å; L521-L524 CarbonylContact O-C 3.55Å; L521-L524 WeakPolarHBondContact O-CA 3.34Å; L521-L524 WeakPolarHBondContact O-CB 3.39Å; L521-L524 PolarHBondContact O-N 3.07Å; L521-L524 VanDerWaalsContact O-N 3.09Å; D522-L524 PolarHBondContact O-N 3.4Å; L524-I526 HydrophobicContact CB-CD1 3.79Å; L524-I526 HydrophobicContact CB-CG1 3.9Å; L524-I526 HydrophobicContact CD1-CD1 4.09Å; L524-I526 PolarHBondContact O-N 3.23Å
525N89.9Confident81.3Confident133 Ų13395.8 Ų95.871%0.71150%0.499SS*.THydrogen-bonded Turntrans53.838.1-171.3-58-54.9000112.9L521 D522 I523L521-N525 PolarHBondContact O-N 3Å; L521-N525 VanDerWaalsContact O-N 3.12Å; D522-N525 WeakPolarHBondContact O-CA 3.35Å; D522-N525 PolarHBondContact O-N 3.15Å; I523-N525 VanDerWaalsContact C-N 3.3Å
526I88.8Confident81.1Confident70 Ų7097.5 Ų97.536%0.35950%0.5SS..  trans-101.1108.1175-60172.1000107.3L521 L524 F528L521-I526 HydrophobicContact CB-CB 4.39Å; L521-I526 HydrophobicContact CD2-CB 4.15Å; L521-I526 HydrophobicContact CD2-CD1 4.02Å; L521-I526 HydrophobicContact CD2-CG2 4.15Å; L521-I526 PolarHBondContact O-N 2.63Å; L524-I526 HydrophobicContact CB-CD1 3.79Å; L524-I526 HydrophobicContact CB-CG1 3.9Å; L524-I526 HydrophobicContact CD1-CD1 4.09Å; L524-I526 PolarHBondContact O-N 3.23Å; I526-F528 HydrophobicContact CG2-CE2 4.32Å; I526-F528 HydrophobicContact CG2-CZ 4.19Å
527H80.9Confident80.5Confident132 Ų132102.7 Ų102.761%0.61153%0.526SS*.  trans-112138.5172.2-53.1-47.5000108.6D522D522-H527 IonicContact OD1-CE1 2.73Å; D522-H527 IonicContact OD1-ND1 3.65Å
528F75.4Confident79.7Confident161 Ų161105.6 Ų105.671%0.70654%0.54SS*.  trans-97124.2172-64-77.3000108L521 I526 E530L521-F528 HydrophobicContact CD1-CE2 3.95Å; I526-F528 HydrophobicContact CG2-CE2 4.32Å; I526-F528 HydrophobicContact CG2-CZ 4.19Å; F528-E530 PolarHBondContact O-N 2.96Å
529D64.5Low79Confident159 Ų159107.9 Ų107.985%0.8555%0.546SS*.  trans-66.9116.2167.4-68.2-31.7000107.5T531D529-T531 PolarHBondContact O-N 2.89Å; D529-T531 VanDerWaalsContact O-N 3.13Å
530E46.4Very low78Confident197 Ų197109.4 Ų109.492%0.92156%0.564SS**  trans-62.1113.7176.7-71.3-175.2161.100110.1F528F528-E530 PolarHBondContact O-N 2.96Å
531T34.9Very low76.8Confident210 Ų210118.6 Ų118.6100%1.28861%0.611SS**  trans-96.20151.350.10000110.6D529D529-T531 PolarHBondContact O-N 2.89Å; D529-T531 VanDerWaalsContact O-N 3.13Å

Retrieved 531 of 531 residues in 156.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).