A0A077YWW5_TRITR Loading...

Coiled-coil domain-containing protein 25

AlphaFold DB , UniProt , Accession A0A077YWW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 210 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M86.6Confident90.8Very high81 Ų8143.3 Ų43.340%0.39924%0.235SC..  0171.10-55.4170-159.200109.7E20 H24 V138 S140M1-E20 WeakPolarHBondContact CA-OE2 3.47Å; M1-E20 HydrophobicContact CB-CB 4.45Å; M1-E20 WeakPolarHBondContact CB-OE2 3.49Å; M1-E20 WeakPolarHBondContact CG-OE2 3.22Å; M1-E20 PolarHBondContact N-OE2 2.73Å; M1-E20 VanDerWaalsContact O-CB 3.28Å; M1-E20 WeakPolarHBondContact O-CB 3.48Å; M1-E20 PolarHBondContact O-N 3.01Å; M1-H24 PolarHBondContact N-CD2 2.92Å; M1-H24 PolarHBondContact N-CE1 3.35Å; M1-H24 PolarHBondContact N-ND1 2.96Å; M1-H24 PolarHBondContact N-NE2 3.38Å; M1-V138 HydrophobicContact CB-CG1 4.05Å; M1-V138 HydrophobicContact SD-CG1 3.85Å; M1-S140 WeakPolarHBondContact CG-OG 3.4Å; M1-S140 PolarHBondContact SD-OG 3.2Å; M1-S140 VanDerWaalsContact SD-OG 3.35Å
2V90Very high90.4Very high5 Ų546.3 Ų46.33%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-116.2130.5174.5-173.50000109.4F4 Y17 L28 K139 L142V2-F4 HydrophobicContact CB-CE2 3.83Å; V2-F4 HydrophobicContact CG1-CD2 4.1Å; V2-F4 HydrophobicContact CG1-CE2 3.46Å; V2-F4 VanDerWaalsContact CG1-CE2 3.46Å; V2-F4 HydrophobicContact CG1-CZ 3.87Å; V2-Y17 HydrophobicContact CG1-CD2 4.18Å; V2-L28 HydrophobicContact CG1-CD1 4.45Å; V2-L28 HydrophobicContact CG1-CD2 4.3Å; V2-L28 HydrophobicContact CG2-CD2 4.21Å; V2-K139 PolarHBondContact N-O 2.95Å; V2-K139 VanDerWaalsContact N-O 3.08Å; V2-K139 PolarHBondContact O-N 2.93Å; V2-L142 HydrophobicContact CB-CD1 3.94Å; V2-L142 HydrophobicContact CG2-CD1 4.16Å
3L93.6Very high90.2Very high15 Ų1551.8 Ų51.88%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-99.7123.5-179.7-62.479.3000108.1F5 Y17 M18 E20 K136L3-F5 HydrophobicContact CB-CE2 3.75Å; L3-F5 HydrophobicContact CB-CZ 4.08Å; L3-F5 HydrophobicContact CD2-CZ 4.33Å; L3-Y17 CarbonylContact O-C 3.58Å; L3-Y17 WeakPolarHBondContact O-CA 3.43Å; L3-Y17 WeakPolarHBondContact O-CB 3.3Å; L3-M18 HydrophobicContact CB-CE 4.37Å; L3-M18 HydrophobicContact CB-CG 4.12Å; L3-M18 HydrophobicContact CD2-CE 3.67Å; L3-M18 HydrophobicContact CG-CE 4.5Å; L3-M18 PolarHBondContact N-O 3.24Å; L3-M18 PolarHBondContact O-N 3.38Å; L3-E20 HydrophobicContact CD1-CB 3.78Å; L3-K136 HydrophobicContact CD2-CD 4.27Å; L3-K136 VanDerWaalsContact CD2-NZ 3.31Å
4F95.3Very high90.4Very high23 Ų2348.1 Ų48.110%0.10126%0.261CS..EExtended strand (participates in β ladder)trans-106.9146.4175.1-69.6-98.7000110V2 V15 I16 Y17 K136 I137 K139 L142V2-F4 HydrophobicContact CB-CE2 3.83Å; V2-F4 HydrophobicContact CG1-CD2 4.1Å; V2-F4 HydrophobicContact CG1-CE2 3.46Å; V2-F4 VanDerWaalsContact CG1-CE2 3.46Å; V2-F4 HydrophobicContact CG1-CZ 3.87Å; F4-V15 HydrophobicContact CD1-CG1 3.85Å; F4-V15 HydrophobicContact CE1-CG1 4.44Å; F4-I16 CarbonylContact C-O 3.53Å; F4-I16 WeakPolarHBondContact CA-O 3.35Å; F4-Y17 HydrophobicContact CD1-CG 4.31Å; F4-Y17 HydrophobicContact CE1-CD1 4.29Å; F4-Y17 HydrophobicContact CE1-CG 4.01Å; F4-K136 CarbonylContact O-C 3.58Å; F4-K136 VanDerWaalsContact O-CA 3.28Å; F4-K136 WeakPolarHBondContact O-CA 3.43Å; F4-I137 HydrophobicContact CB-CB 4.4Å; F4-I137 PolarHBondContact N-O 2.89Å; F4-I137 PolarHBondContact O-N 2.95Å; F4-K139 HydrophobicContact CD2-CB 4.24Å; F4-K139 HydrophobicContact CD2-CD 3.85Å; F4-K139 HydrophobicContact CD2-CG 3.96Å; F4-K139 HydrophobicContact CE2-CB 4.09Å; F4-K139 HydrophobicContact CE2-CD 3.74Å; F4-K139 HydrophobicContact CE2-CG 4.13Å; F4-K139 HydrophobicContact CZ-CD 4.42Å; F4-L142 HydrophobicContact CE2-CD1 3.55Å; F4-L142 HydrophobicContact CZ-CD1 3.98Å
5F95.9Very high90.6Very high5 Ų548.7 Ų48.72%0.02227%0.267CS..EExtended strand (participates in β ladder)trans-138151178.2-53.9-94.9000107.9L3 I16 M18 L73 L132 K136L3-F5 HydrophobicContact CB-CE2 3.75Å; L3-F5 HydrophobicContact CB-CZ 4.08Å; L3-F5 HydrophobicContact CD2-CZ 4.33Å; F5-I16 HydrophobicContact CB-CB 4.21Å; F5-I16 PolarHBondContact N-O 3.48Å; F5-I16 PolarHBondContact O-N 3Å; F5-I16 VanDerWaalsContact O-O 3.11Å; F5-M18 HydrophobicContact CE2-CE 3.8Å; F5-M18 HydrophobicContact CE2-CG 4.11Å; F5-M18 HydrophobicContact CE2-SD 4.11Å; F5-M18 HydrophobicContact CZ-CE 3.7Å; F5-L73 HydrophobicContact CD2-CD2 3.78Å; F5-L73 HydrophobicContact CE1-CD1 4.24Å; F5-L73 HydrophobicContact CE2-CD1 4.48Å; F5-L73 HydrophobicContact CE2-CD2 3.87Å; F5-L73 HydrophobicContact CG-CD2 4.23Å; F5-L73 HydrophobicContact CZ-CD1 4.15Å; F5-L73 HydrophobicContact CZ-CD2 4.36Å; F5-L132 HydrophobicContact CD1-CB 4.31Å; F5-L132 WeakPolarHBondContact CD1-O 3.36Å; F5-K136 HydrophobicContact CD1-CB 3.96Å; F5-K136 HydrophobicContact CD1-CG 4.36Å; F5-K136 HydrophobicContact CE1-CB 3.71Å; F5-K136 HydrophobicContact CE1-CD 3.93Å; F5-K136 HydrophobicContact CE1-CG 3.75Å; F5-K136 HydrophobicContact CZ-CD 4.12Å; F5-K136 HydrophobicContact CZ-CG 4.08Å
6S93.8Very high91Very high28 Ų2845.7 Ų45.720%0.19625%0.25CS..EExtended strand (participates in β ladder)trans-114.2128.4174.5-164.70000109.4Q13 T135S6-Q13 WeakPolarHBondContact OG-CB 3.29Å; S6-Q13 PolarHBondContact OG-OE1 3.15Å; S6-T135 PolarHBondContact N-OG1 3.32Å; S6-T135 PolarHBondContact O-OG1 3.24Å
7S92.5Very high91.2Very high0 Ų043.2 Ų43.20%024%0.236CC..EExtended strand (participates in β ladder)trans-100.4125.1171.8-178.30000109.9T9 Q13 A14 D69S7-T9 VanDerWaalsContact C-N 3.27Å; S7-T9 WeakPolarHBondContact OG-CG2 3.49Å; S7-T9 PolarHBondContact OG-N 2.79Å; S7-T9 PolarHBondContact OG-OG1 3.44Å; S7-Q13 WeakPolarHBondContact O-CA 3.48Å; S7-Q13 WeakPolarHBondContact O-CB 3.26Å; S7-A14 PolarHBondContact N-O 3.26Å; S7-A14 PolarHBondContact O-N 3.02Å; S7-A14 VanDerWaalsContact O-N 3.1Å; S7-D69 PolarHBondContact OG-OD2 3.42Å
8D90.7Very high91.4Very high92 Ų9241.2 Ų41.249%0.49223%0.225SC..THydrogen-bonded Turntrans-85.95.2176.962-10.8000113.3V10 R131D8-V10 PolarHBondContact O-N 3.49Å; D8-R131 WeakPolarHBondContact OD1-CD 3.34Å; D8-R131 IonicContact OD1-CZ 3.79Å; D8-R131 IonicContact OD1-NE 3.94Å; D8-R131 PolarHBondContact OD1-NE 3.01Å; D8-R131 IonicContact OD1-NH1 3.71Å; D8-R131 PolarHBondContact OD1-NH1 2.84Å
9T88.3Confident91.3Very high42 Ų4239.3 Ų39.326%0.25822%0.216SC..THydrogen-bonded Turntrans-71.8-17.9-179.258.70000113.7S7 A65 D69S7-T9 VanDerWaalsContact C-N 3.27Å; S7-T9 WeakPolarHBondContact OG-CG2 3.49Å; S7-T9 PolarHBondContact OG-N 2.79Å; S7-T9 PolarHBondContact OG-OG1 3.44Å; T9-A65 HydrophobicContact CG2-CB 3.98Å; T9-D69 WeakPolarHBondContact CG2-OD2 3.49Å
10V87.4Confident91.1Very high24 Ų2443 Ų4315%0.14523%0.231CC..SBendtrans-132.2156.1178-66.30000110.3D8 P12 Q13 A14 P63 L66D8-V10 PolarHBondContact O-N 3.49Å; V10-P12 CarbonylContact C-O 3.5Å; V10-P12 CarbonylContact O-C 3.58Å; V10-Q13 WeakPolarHBondContact O-CA 3.35Å; V10-Q13 PolarHBondContact O-N 3.47Å; V10-A14 HydrophobicContact CG2-CB 3.51Å; V10-P63 HydrophobicContact CG1-CB 4.41Å; V10-P63 HydrophobicContact CG1-CG 3.77Å; V10-L66 HydrophobicContact CG1-CD2 4.13Å; V10-L66 HydrophobicContact CG2-CD2 3.99Å
11N84.3Confident90.9Very high161 Ų16143.7 Ų43.786%0.86124%0.235SC*.SBendtrans-124.6120.1176.5-172.721.3000109.6
12P86.3Confident90.6Very high80 Ų8045.4 Ų45.452%0.51924%0.241SC..SBendcis-63.8155.9-0.628.7-35.3000112.9V10 A14 P54V10-P12 CarbonylContact C-O 3.5Å; V10-P12 CarbonylContact O-C 3.58Å; P12-A14 PolarHBondContact O-N 2.98Å; P12-P54 HydrophobicContact CG-CB 3.9Å
13Q88.5Confident90.4Very high117 Ų11750.6 Ų50.655%0.54726%0.264SS..PPolyproline II helixtrans-56134.9-178.9-66.1-173.8-14.200111S6 S7 V10S6-Q13 WeakPolarHBondContact OG-CB 3.29Å; S6-Q13 PolarHBondContact OG-OE1 3.15Å; S7-Q13 WeakPolarHBondContact O-CA 3.48Å; S7-Q13 WeakPolarHBondContact O-CB 3.26Å; V10-Q13 WeakPolarHBondContact O-CA 3.35Å; V10-Q13 PolarHBondContact O-N 3.47Å
14A91.8Very high90Very high1 Ų152.4 Ų52.41%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-81.2139.317900000111.1S7 V10 P12 L51 L66S7-A14 PolarHBondContact N-O 3.26Å; S7-A14 PolarHBondContact O-N 3.02Å; S7-A14 VanDerWaalsContact O-N 3.1Å; V10-A14 HydrophobicContact CG2-CB 3.51Å; P12-A14 PolarHBondContact O-N 2.98Å; A14-L51 HydrophobicContact CB-CD1 3.82Å; A14-L66 HydrophobicContact CB-CD1 3.7Å; A14-L66 HydrophobicContact CB-CD2 3.81Å; A14-L66 HydrophobicContact CB-CG 4.43Å
15V94.4Very high89.5Confident57 Ų5751.9 Ų51.935%0.34527%0.27SS..EExtended strand (participates in β ladder)trans-93.6121.1177.7-179.20000108.9F4 Y17 R52F4-V15 HydrophobicContact CD1-CG1 3.85Å; F4-V15 HydrophobicContact CE1-CG1 4.44Å; V15-Y17 HydrophobicContact CG1-CD1 4.49Å; V15-R52 HydrophobicContact CB-CB 4.25Å; V15-R52 PolarHBondContact O-N 3.5Å
16I96.3Very high89.1Confident0 Ų053.2 Ų53.20%028%0.276CS..EExtended strand (participates in β ladder)trans-110.3136.7173.7-58.5167.3000107.4F4 F5 V49 Y50 L51 L66 D69 L73 L132F4-I16 CarbonylContact C-O 3.53Å; F4-I16 WeakPolarHBondContact CA-O 3.35Å; F5-I16 HydrophobicContact CB-CB 4.21Å; F5-I16 PolarHBondContact N-O 3.48Å; F5-I16 PolarHBondContact O-N 3Å; F5-I16 VanDerWaalsContact O-O 3.11Å; I16-V49 HydrophobicContact CG2-CG1 3.44Å; I16-V49 VanDerWaalsContact CG2-CG1 3.44Å; I16-Y50 CarbonylContact C-O 3.36Å; I16-Y50 VanDerWaalsContact CA-O 3.27Å; I16-Y50 WeakPolarHBondContact CA-O 3.39Å; I16-L51 HydrophobicContact CG1-CD1 3.84Å; I16-L66 HydrophobicContact CD1-CD1 4.36Å; I16-D69 HydrophobicContact CD1-CB 4.29Å; I16-L73 HydrophobicContact CG2-CD2 3.7Å; I16-L132 HydrophobicContact CD1-CD2 4.31Å
17Y95.4Very high88.7Confident4 Ų456.2 Ų56.22%0.01629%0.288CS..EExtended strand (participates in β ladder)trans-144.8156.5176.763.6-84.8000112.3V2 L3 F4 V15 L28 D36 Y50 R52V2-Y17 HydrophobicContact CG1-CD2 4.18Å; L3-Y17 CarbonylContact O-C 3.58Å; L3-Y17 WeakPolarHBondContact O-CA 3.43Å; L3-Y17 WeakPolarHBondContact O-CB 3.3Å; F4-Y17 HydrophobicContact CD1-CG 4.31Å; F4-Y17 HydrophobicContact CE1-CD1 4.29Å; F4-Y17 HydrophobicContact CE1-CG 4.01Å; V15-Y17 HydrophobicContact CG1-CD1 4.49Å; Y17-L28 HydrophobicContact CD2-CD1 4.43Å; Y17-L28 HydrophobicContact CD2-CD2 4.07Å; Y17-L28 HydrophobicContact CE2-CD2 3.81Å; Y17-D36 PolarHBondContact OH-OD2 3.03Å; Y17-Y50 HydrophobicContact CD2-CD2 4.07Å; Y17-Y50 HydrophobicContact CD2-CG 4.26Å; Y17-Y50 HydrophobicContact CE2-CD1 4.36Å; Y17-Y50 AromaticContact CE2-CD2 3.68Å; Y17-Y50 HydrophobicContact CE2-CD2 3.68Å; Y17-Y50 AromaticContact CE2-CG 3.57Å; Y17-Y50 HydrophobicContact CE2-CG 3.57Å; Y17-Y50 AromaticContact CZ-CG 3.75Å; Y17-Y50 PolarHBondContact N-O 2.88Å; Y17-Y50 PolarHBondContact O-N 3.34Å; Y17-Y50 WeakPolarHBondContact OH-CB 3.42Å; Y17-R52 HydrophobicContact CE1-CB 4.37Å
18M93.7Very high88.5Confident6 Ų656.4 Ų56.43%0.0329%0.289CS..EExtended strand (participates in β ladder)trans-149.7150.5177.667.5-169.4-172.400110.9L3 F5 A47 H48 V49 L73 N77L3-M18 HydrophobicContact CB-CE 4.37Å; L3-M18 HydrophobicContact CB-CG 4.12Å; L3-M18 HydrophobicContact CD2-CE 3.67Å; L3-M18 HydrophobicContact CG-CE 4.5Å; L3-M18 PolarHBondContact N-O 3.24Å; L3-M18 PolarHBondContact O-N 3.38Å; F5-M18 HydrophobicContact CE2-CE 3.8Å; F5-M18 HydrophobicContact CE2-CG 4.11Å; F5-M18 HydrophobicContact CE2-SD 4.11Å; F5-M18 HydrophobicContact CZ-CE 3.7Å; M18-A47 HydrophobicContact SD-CB 4.31Å; M18-H48 VanDerWaalsContact CB-O 3.23Å; M18-H48 WeakPolarHBondContact CB-O 3.41Å; M18-V49 HydrophobicContact CB-CG2 4.15Å; M18-V49 HydrophobicContact SD-CG2 4.04Å; M18-L73 HydrophobicContact SD-CD2 4.29Å; M18-L73 HydrophobicContact SD-CG 4.32Å; M18-N77 WeakPolarHBondContact CE-OD1 3.38Å
19G90.2Very high88.5Confident5 Ų552.7 Ų52.75%0.05227%0.268CS..EExtended strand (participates in β ladder)trans-73.1146.2171.800000110.8D21 N25 L28G19-D21 VanDerWaalsContact C-N 3.29Å; G19-N25 WeakPolarHBondContact CA-OD1 3.36Å; G19-N25 PolarHBondContact N-OD1 3.26Å; G19-L28 VanDerWaalsContact N-CD1 3.31Å
20E87.1Confident88.5Confident113 Ų11358.8 Ų58.853%0.52829%0.287SS..SBendtrans-66.2-34.2174.8-178176-158.200112.3M1 L3M1-E20 WeakPolarHBondContact CA-OE2 3.47Å; M1-E20 HydrophobicContact CB-CB 4.45Å; M1-E20 WeakPolarHBondContact CB-OE2 3.49Å; M1-E20 WeakPolarHBondContact CG-OE2 3.22Å; M1-E20 PolarHBondContact N-OE2 2.73Å; M1-E20 VanDerWaalsContact O-CB 3.28Å; M1-E20 WeakPolarHBondContact O-CB 3.48Å; M1-E20 PolarHBondContact O-N 3.01Å; L3-E20 HydrophobicContact CD1-CB 3.78Å
21D86Confident88.6Confident58 Ų5861.3 Ų61.331%0.3129%0.294SS..SBendtrans-140.2175.3-177.765.943000111.9G19 H23 H24 N25G19-D21 VanDerWaalsContact C-N 3.29Å; D21-H23 VanDerWaalsContact C-N 3.27Å; D21-H23 PolarHBondContact O-N 2.9Å; D21-H23 WeakPolarHBondContact OD1-CA 3.4Å; D21-H23 WeakPolarHBondContact OD1-CB 3.42Å; D21-H23 PolarHBondContact OD1-N 3.42Å; D21-H24 PolarHBondContact O-N 3.22Å; D21-H24 IonicContact OD1-CE1 2.93Å; D21-H24 IonicContact OD1-CG 3.4Å; D21-H24 PolarHBondContact OD1-N 3.22Å; D21-H24 IonicContact OD1-ND1 2.77Å; D21-H24 PolarHBondContact OD1-ND1 2.94Å; D21-H24 IonicContact OD2-CE1 3.37Å; D21-H24 PolarHBondContact OD2-CE1 3.16Å; D21-H24 IonicContact OD2-ND1 3.51Å; D21-H24 PolarHBondContact OD2-ND1 2.94Å; D21-N25 PolarHBondContact O-N 3.38Å; D21-N25 VanDerWaalsContact O-N 3.1Å; D21-N25 PolarHBondContact O-ND2 3.46Å
22K82Confident88.8Confident118 Ų11853.8 Ų53.851%0.51325%0.254SS..Hα-helixtrans-63.7-27.1-179.867.8-178.8-178.8177.80114E26 V105K22-E26 PolarHBondContact O-N 2.92Å; K22-V105 HydrophobicContact CB-CG1 4.02Å; K22-V105 HydrophobicContact CD-CG1 3.89Å; K22-V105 HydrophobicContact CG-CG1 3.83Å
23H84.5Confident89Confident113 Ų11352.5 Ų52.552%0.52324%0.239SC..Hα-helixtrans-76.3-44.1-178.9-63.9-72.2000110.8D21 N25 E26 E27D21-H23 VanDerWaalsContact C-N 3.27Å; D21-H23 PolarHBondContact O-N 2.9Å; D21-H23 WeakPolarHBondContact OD1-CA 3.4Å; D21-H23 WeakPolarHBondContact OD1-CB 3.42Å; D21-H23 PolarHBondContact OD1-N 3.42Å; H23-N25 PolarHBondContact O-N 2.88Å; H23-E26 WeakPolarHBondContact O-CB 3.37Å; H23-E26 PolarHBondContact O-N 3.39Å; H23-E26 VanDerWaalsContact O-N 3.15Å; H23-E27 PolarHBondContact O-N 3.04Å
24H84.7Confident89Confident54 Ų5449.6 Ų49.625%0.2523%0.23CC..Hα-helixtrans-63.3-33.9172.5-66.585.5000111.4M1 D21 E26 E27 L28M1-H24 PolarHBondContact N-CD2 2.92Å; M1-H24 PolarHBondContact N-CE1 3.35Å; M1-H24 PolarHBondContact N-ND1 2.96Å; M1-H24 PolarHBondContact N-NE2 3.38Å; D21-H24 PolarHBondContact O-N 3.22Å; D21-H24 IonicContact OD1-CE1 2.93Å; D21-H24 IonicContact OD1-CG 3.4Å; D21-H24 PolarHBondContact OD1-N 3.22Å; D21-H24 IonicContact OD1-ND1 2.77Å; D21-H24 PolarHBondContact OD1-ND1 2.94Å; D21-H24 IonicContact OD2-CE1 3.37Å; D21-H24 PolarHBondContact OD2-CE1 3.16Å; D21-H24 IonicContact OD2-ND1 3.51Å; D21-H24 PolarHBondContact OD2-ND1 2.94Å; H24-E26 VanDerWaalsContact C-N 3.3Å; H24-E26 PolarHBondContact O-N 2.97Å; H24-E27 PolarHBondContact O-N 3.19Å; H24-L28 WeakPolarHBondContact O-CG 3.22Å; H24-L28 PolarHBondContact O-N 3.46Å
25N85.7Confident88.9Confident11 Ų1152.9 Ų52.96%0.05925%0.245CC..Hα-helixtrans-61.9-35.8174.7-70.5-22.1000112.6G19 D21 H23 E27 L28 I29 H48G19-N25 WeakPolarHBondContact CA-OD1 3.36Å; G19-N25 PolarHBondContact N-OD1 3.26Å; D21-N25 PolarHBondContact O-N 3.38Å; D21-N25 VanDerWaalsContact O-N 3.1Å; D21-N25 PolarHBondContact O-ND2 3.46Å; H23-N25 PolarHBondContact O-N 2.88Å; N25-E27 VanDerWaalsContact C-N 3.33Å; N25-E27 PolarHBondContact O-N 2.9Å; N25-L28 PolarHBondContact O-N 2.95Å; N25-I29 WeakPolarHBondContact O-CG1 3.3Å; N25-I29 PolarHBondContact O-N 3.35Å; N25-H48 HydrophobicContact CB-CB 4.37Å
26E86.9Confident89Confident33 Ų3350.1 Ų50.115%0.15423%0.229CC..Hα-helixtrans-64.3-38174.8-67-68.4149.300111.9K22 H23 H24 I29 R30 K99 V105 G106K22-E26 PolarHBondContact O-N 2.92Å; H23-E26 WeakPolarHBondContact O-CB 3.37Å; H23-E26 PolarHBondContact O-N 3.39Å; H23-E26 VanDerWaalsContact O-N 3.15Å; H24-E26 VanDerWaalsContact C-N 3.3Å; H24-E26 PolarHBondContact O-N 2.97Å; E26-I29 PolarHBondContact O-N 3.4Å; E26-R30 WeakPolarHBondContact O-CB 3.46Å; E26-R30 PolarHBondContact O-N 3.42Å; E26-K99 IonicContact OE1-NZ 2.62Å; E26-K99 PolarHBondContact OE1-NZ 2.92Å; E26-K99 VanDerWaalsContact OE2-CE 3.31Å; E26-K99 WeakPolarHBondContact OE2-CE 3.32Å; E26-K99 IonicContact OE2-NZ 3.46Å; E26-K99 PolarHBondContact OE2-NZ 3.29Å; E26-V105 HydrophobicContact CG-CG1 3.91Å; E26-G106 PolarHBondContact OE1-N 3.32Å
27E86.4Confident89Confident92 Ų9250.2 Ų50.243%0.4323%0.229SC..Hα-helixtrans-68.2-40.8175.4-64.4-176.8173.700112H23 H24 N25 I29 R30 W31 L144H23-E27 PolarHBondContact O-N 3.04Å; H24-E27 PolarHBondContact O-N 3.19Å; N25-E27 VanDerWaalsContact C-N 3.33Å; N25-E27 PolarHBondContact O-N 2.9Å; E27-I29 VanDerWaalsContact C-N 3.33Å; E27-I29 PolarHBondContact O-N 2.98Å; E27-R30 PolarHBondContact O-N 2.99Å; E27-R30 VanDerWaalsContact O-N 3.14Å; E27-W31 PolarHBondContact O-N 2.66Å; E27-L144 HydrophobicContact CB-CD1 3.91Å
28L88.8Confident89Confident4 Ų450.4 Ų50.42%0.02123%0.23CC..Hα-helixtrans-64.8-36.7175.1-65.2170.9000111.9V2 Y17 G19 H24 N25 R30 G32 Y50 L144V2-L28 HydrophobicContact CG1-CD1 4.45Å; V2-L28 HydrophobicContact CG1-CD2 4.3Å; V2-L28 HydrophobicContact CG2-CD2 4.21Å; Y17-L28 HydrophobicContact CD2-CD1 4.43Å; Y17-L28 HydrophobicContact CD2-CD2 4.07Å; Y17-L28 HydrophobicContact CE2-CD2 3.81Å; G19-L28 VanDerWaalsContact N-CD1 3.31Å; H24-L28 WeakPolarHBondContact O-CG 3.22Å; H24-L28 PolarHBondContact O-N 3.46Å; N25-L28 PolarHBondContact O-N 2.95Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-G32 WeakPolarHBondContact O-CA 3.42Å; L28-G32 PolarHBondContact O-N 2.95Å; L28-Y50 HydrophobicContact CB-CD2 4.47Å; L28-Y50 HydrophobicContact CB-CE2 3.73Å; L28-Y50 HydrophobicContact CD1-CD2 4.23Å; L28-Y50 HydrophobicContact CD1-CE2 3.84Å; L28-Y50 HydrophobicContact CG-CE2 4.41Å; L28-L144 HydrophobicContact CD2-CD1 3.47Å; L28-L144 VanDerWaalsContact CD2-CD1 3.47Å; L28-L144 HydrophobicContact CD2-CD2 3.86Å; L28-L144 HydrophobicContact CD2-CG 4.32Å; L28-L144 HydrophobicContact CG-CD1 4.04Å
29I89.4Confident89.2Confident13 Ų1350.1 Ų50.17%0.06723%0.228CC..Hα-helixtrans-65.1-39.8172.5-67.4164.8000110N25 E26 E27 Y50 W94 V108N25-I29 WeakPolarHBondContact O-CG1 3.3Å; N25-I29 PolarHBondContact O-N 3.35Å; E26-I29 PolarHBondContact O-N 3.4Å; E27-I29 VanDerWaalsContact C-N 3.33Å; E27-I29 PolarHBondContact O-N 2.98Å; I29-Y50 WeakPolarHBondContact CG1-OH 3.37Å; I29-W94 WeakPolarHBondContact O-CZ2 3.43Å; I29-W94 PolarHBondContact O-NE1 3.11Å; I29-V108 HydrophobicContact CD1-CG2 3.57Å
30R88.1Confident89.5Confident171 Ų17151.4 Ų51.465%0.64523%0.233SC*.Hα-helixtrans-73.2-37.8-176.9-171.9175.4-69.7165.6-0.5113.2E26 E27 L28E26-R30 WeakPolarHBondContact O-CB 3.46Å; E26-R30 PolarHBondContact O-N 3.42Å; E27-R30 PolarHBondContact O-N 2.99Å; E27-R30 VanDerWaalsContact O-N 3.14Å; L28-R30 VanDerWaalsContact C-N 3.32Å
31W89.5Confident89.9Confident77 Ų7746 Ų4629%0.29221%0.208SC..Hα-helixtrans-117.116-171.1-56.1114.8000114.1E27 L144 R145 R148E27-W31 PolarHBondContact O-N 2.66Å; W31-L144 HydrophobicContact CB-CB 4.04Å; W31-R145 HydrophobicContact CD2-CB 3.91Å; W31-R145 HydrophobicContact CD2-CG 4.11Å; W31-R145 HydrophobicContact CE3-CB 4.36Å; W31-R145 HydrophobicContact CE3-CG 4.15Å; W31-R145 HydrophobicContact CG-CB 4.28Å; W31-R145 HydrophobicContact CH2-CB 4.47Å; W31-R145 HydrophobicContact CH2-CG 3.69Å; W31-R145 HydrophobicContact CZ2-CB 4.02Å; W31-R145 HydrophobicContact CZ2-CG 3.64Å; W31-R145 HydrophobicContact CZ3-CG 3.95Å; W31-R148 HydrophobicContact CB-CB 4.39Å; W31-R148 HydrophobicContact CE3-CB 4.41Å; W31-R148 HydrophobicContact CE3-CG 4.23Å
32G89.1Confident90.2Very high2 Ų246.5 Ų46.52%0.02121%0.21CC..  trans-60.5160.4172.700000112.4L28 W94 R148L28-G32 WeakPolarHBondContact O-CA 3.42Å; L28-G32 PolarHBondContact O-N 2.95Å; G32-W94 WeakPolarHBondContact O-CH2 3.31Å; G32-W94 WeakPolarHBondContact O-CZ2 3.28Å; G32-R148 WeakPolarHBondContact O-CD 3.08Å; G32-R148 PolarHBondContact O-NE 3.49Å
33W90.8Very high90.5Very high53 Ų5346.9 Ų46.920%0.20122%0.218CC..  trans-94.8153.8-178.8-59.612.3000111.1E35 D36 R52 R151W33-E35 WeakPolarHBondContact CB-OE2 3.4Å; W33-E35 PolarHBondContact O-N 3.47Å; W33-D36 WeakPolarHBondContact CA-OD2 2.88Å; W33-D36 WeakPolarHBondContact CB-OD2 3.47Å; W33-D36 PolarHBondContact N-OD2 3.46Å; W33-D36 VanDerWaalsContact O-CB 3.31Å; W33-D36 WeakPolarHBondContact O-CB 3.49Å; W33-D36 PolarHBondContact O-N 3.43Å; W33-R52 VanDerWaalsContact CE2-NH1 3.34Å; W33-R52 VanDerWaalsContact CE3-CZ 3.45Å; W33-R52 VanDerWaalsContact CH2-NH1 3.34Å; W33-R52 VanDerWaalsContact CZ2-NH1 3.26Å; W33-R151 HydrophobicContact CD2-CG 4.2Å; W33-R151 HydrophobicContact CE3-CG 4.06Å; W33-R151 HydrophobicContact CH2-CB 4.27Å; W33-R151 HydrophobicContact CH2-CG 3.94Å; W33-R151 HydrophobicContact CZ2-CB 4.04Å; W33-R151 HydrophobicContact CZ2-CG 4.07Å; W33-R151 HydrophobicContact CZ3-CG 3.94Å
34P88.2Confident90.8Very high57 Ų5742.5 Ų42.537%0.3720%0.199SC..THydrogen-bonded Turntrans-57.6-29.9176.6-2832.9000113.9D36 R148P34-D36 VanDerWaalsContact C-N 3.28Å; P34-R148 VanDerWaalsContact CD-NH2 3.28Å
35E90.8Very high91.1Very high69 Ų6944.9 Ų44.932%0.32222%0.222SC..THydrogen-bonded Turntrans-81-8176.5-50.297.7158.900113.2W33 L53 R151W33-E35 WeakPolarHBondContact CB-OE2 3.4Å; W33-E35 PolarHBondContact O-N 3.47Å; E35-L53 HydrophobicContact CB-CB 4.39Å; E35-L53 WeakPolarHBondContact O-CB 3.32Å; E35-L53 WeakPolarHBondContact O-CD1 3.17Å; E35-L53 VanDerWaalsContact O-CG 3.25Å; E35-L53 WeakPolarHBondContact O-CG 3.39Å; E35-L53 PolarHBondContact O-N 3.43Å; E35-R151 IonicContact OE1-CZ 3.01Å; E35-R151 IonicContact OE1-NE 3.88Å; E35-R151 IonicContact OE1-NH2 3.27Å; E35-R151 PolarHBondContact OE1-NH2 2.92Å; E35-R151 IonicContact OE2-CZ 3.31Å; E35-R151 IonicContact OE2-NE 3.34Å; E35-R151 IonicContact OE2-NH2 3.58Å
36D95Very high91.4Very high0 Ų045 Ų450%022%0.224CC..EExtended strand (participates in β ladder)trans-77.6138.9-178.1-62.7-31.3000110.6Y17 W33 P34 L51 R52 W94Y17-D36 PolarHBondContact OH-OD2 3.03Å; W33-D36 WeakPolarHBondContact CA-OD2 2.88Å; W33-D36 WeakPolarHBondContact CB-OD2 3.47Å; W33-D36 PolarHBondContact N-OD2 3.46Å; W33-D36 VanDerWaalsContact O-CB 3.31Å; W33-D36 WeakPolarHBondContact O-CB 3.49Å; W33-D36 PolarHBondContact O-N 3.43Å; P34-D36 VanDerWaalsContact C-N 3.28Å; D36-L51 CarbonylContact C-O 3.45Å; D36-L51 VanDerWaalsContact CA-O 3.31Å; D36-L51 WeakPolarHBondContact CA-O 3.38Å; D36-R52 VanDerWaalsContact OD1-CA 3.3Å; D36-R52 WeakPolarHBondContact OD1-CA 3.43Å; D36-R52 VanDerWaalsContact OD1-CB 3.28Å; D36-R52 WeakPolarHBondContact OD1-CB 3.4Å; D36-R52 WeakPolarHBondContact OD1-CG 3.44Å; D36-R52 IonicContact OD1-CZ 3.42Å; D36-R52 IonicContact OD1-NE 2.83Å; D36-R52 PolarHBondContact OD1-NE 3Å; D36-R52 IonicContact OD1-NH2 3.57Å; D36-R52 PolarHBondContact OD1-NH2 3.29Å; D36-R52 IonicContact OD2-CZ 3.9Å; D36-R52 IonicContact OD2-NE 3.82Å; D36-R52 IonicContact OD2-NH2 2.66Å; D36-R52 PolarHBondContact OD2-NH2 3.37Å; D36-W94 HydrophobicContact CB-CB 4.16Å; D36-W94 VanDerWaalsContact O-CB 3.24Å; D36-W94 WeakPolarHBondContact O-CB 3.36Å; D36-W94 PolarHBondContact O-N 2.92Å
37V96.4Very high91.7Very high1 Ų144.3 Ų44.31%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-113.2125.5175.7-177.50000108.2F39 Y50 L51 L53 F59 I62 Y91V37-F39 HydrophobicContact CB-CE2 3.88Å; V37-F39 HydrophobicContact CG1-CD2 4.27Å; V37-F39 HydrophobicContact CG1-CE2 3.54Å; V37-F39 HydrophobicContact CG1-CZ 3.89Å; V37-F39 WeakPolarHBondContact O-CD2 3.34Å; V37-F39 WeakPolarHBondContact O-CE2 3.39Å; V37-Y50 CarbonylContact O-C 3.39Å; V37-Y50 VanDerWaalsContact O-CA 3.26Å; V37-Y50 WeakPolarHBondContact O-CA 3.37Å; V37-L51 HydrophobicContact CB-CB 4.31Å; V37-L51 PolarHBondContact N-O 3.39Å; V37-L51 PolarHBondContact O-N 2.93Å; V37-L53 HydrophobicContact CG2-CD1 3.66Å; V37-L53 HydrophobicContact CG2-CD2 4.17Å; V37-L53 HydrophobicContact CG2-CG 3.84Å; V37-F59 HydrophobicContact CG1-CD2 3.97Å; V37-F59 HydrophobicContact CG1-CE2 3.82Å; V37-F59 HydrophobicContact CG2-CD2 3.88Å; V37-I62 HydrophobicContact CG1-CD1 4.42Å; V37-I62 HydrophobicContact CG2-CD1 4.1Å; V37-Y91 HydrophobicContact CG1-CD2 4.22Å
38W96.5Very high92Very high8 Ų840.2 Ų40.23%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-93.8140-178.4177.379.9000111H40 H48 V49 Y50 I90 Y91 T92 L97 V108 F110W38-H40 HydrophobicContact CE3-CB 4.32Å; W38-H40 HydrophobicContact CH2-CB 3.18Å; W38-H40 AromaticContact CH2-CG 3.75Å; W38-H40 HydrophobicContact CZ2-CB 3.35Å; W38-H40 AromaticContact CZ2-CG 3.82Å; W38-H40 HydrophobicContact CZ3-CB 3.68Å; W38-H48 AromaticContact CE2-ND1 3.9Å; W38-H48 AromaticContact CZ2-CE1 3.87Å; W38-H48 AromaticContact CZ2-ND1 3.93Å; W38-H48 AromaticContact NE1-CG 3.35Å; W38-H48 VanDerWaalsContact NE1-CG 3.35Å; W38-H48 AromaticContact NE1-ND1 3.25Å; W38-H48 PolarHBondContact NE1-ND1 3.37Å; W38-V49 CarbonylContact C-O 3.59Å; W38-Y50 HydrophobicContact CB-CD1 4.29Å; W38-Y50 HydrophobicContact CB-CE1 4.24Å; W38-Y50 AromaticContact CD1-CE1 3.41Å; W38-Y50 VanDerWaalsContact CD1-CE1 3.41Å; W38-Y50 AromaticContact CD1-CZ 3.52Å; W38-Y50 HydrophobicContact CG-CE1 4.2Å; W38-I90 HydrophobicContact CZ3-CG2 4.31Å; W38-Y91 CarbonylContact O-C 3.58Å; W38-Y91 WeakPolarHBondContact O-CA 3.32Å; W38-T92 HydrophobicContact CE3-CG2 3.83Å; W38-T92 HydrophobicContact CZ3-CG2 4.47Å; W38-T92 PolarHBondContact N-O 3.43Å; W38-T92 PolarHBondContact O-N 3.32Å; W38-L97 HydrophobicContact CB-CD1 3.88Å; W38-L97 HydrophobicContact CB-CD2 4.21Å; W38-L97 HydrophobicContact CB-CG 4.46Å; W38-L97 HydrophobicContact CD2-CD1 4.41Å; W38-L97 HydrophobicContact CD2-CD2 3.91Å; W38-L97 HydrophobicContact CE3-CD2 3.88Å; W38-L97 HydrophobicContact CG-CD1 3.87Å; W38-L97 HydrophobicContact CG-CD2 4.11Å; W38-L97 HydrophobicContact CZ3-CD2 4.49Å; W38-V108 HydrophobicContact CH2-CB 4.49Å; W38-V108 HydrophobicContact CZ2-CB 4.36Å; W38-V108 HydrophobicContact CZ2-CG2 4.16Å; W38-F110 HydrophobicContact CE3-CE1 4.25Å; W38-F110 HydrophobicContact CH2-CE1 4.42Å; W38-F110 HydrophobicContact CH2-CZ 4.38Å; W38-F110 AromaticContact CZ3-CE1 3.7Å; W38-F110 HydrophobicContact CZ3-CE1 3.7Å; W38-F110 AromaticContact CZ3-CZ 3.83Å; W38-F110 HydrophobicContact CZ3-CZ 3.83Å
39F97.2Very high92.3Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-129.7139.8-180-61.8-109.8000111.3V37 V49 L51 L67 C70 V74 V89 I90 Y91V37-F39 HydrophobicContact CB-CE2 3.88Å; V37-F39 HydrophobicContact CG1-CD2 4.27Å; V37-F39 HydrophobicContact CG1-CE2 3.54Å; V37-F39 HydrophobicContact CG1-CZ 3.89Å; V37-F39 WeakPolarHBondContact O-CD2 3.34Å; V37-F39 WeakPolarHBondContact O-CE2 3.39Å; F39-V49 HydrophobicContact CB-CB 4.26Å; F39-V49 PolarHBondContact N-O 3.23Å; F39-V49 PolarHBondContact O-N 3.35Å; F39-V49 VanDerWaalsContact O-N 3.09Å; F39-L51 HydrophobicContact CD2-CB 4.49Å; F39-L51 HydrophobicContact CE2-CB 3.66Å; F39-L51 HydrophobicContact CE2-CD2 4.31Å; F39-L51 HydrophobicContact CZ-CB 4.41Å; F39-L51 HydrophobicContact CZ-CD2 4.27Å; F39-L67 HydrophobicContact CE1-CD2 3.86Å; F39-L67 HydrophobicContact CZ-CD2 3.94Å; F39-C70 HydrophobicContact CD1-CB 3.81Å; F39-C70 HydrophobicContact CD2-CB 4.19Å; F39-C70 HydrophobicContact CE1-CB 3.67Å; F39-C70 HydrophobicContact CE2-CB 4.06Å; F39-C70 HydrophobicContact CG-CB 4.1Å; F39-C70 HydrophobicContact CZ-CB 3.81Å; F39-V74 HydrophobicContact CB-CG2 3.65Å; F39-V89 HydrophobicContact CB-CG1 4.18Å; F39-V89 HydrophobicContact CD1-CG1 4.04Å; F39-I90 VanDerWaalsContact CA-O 3.25Å; F39-I90 WeakPolarHBondContact CA-O 3.49Å; F39-Y91 HydrophobicContact CD1-CG 4.24Å; F39-Y91 HydrophobicContact CE1-CD1 4.36Å; F39-Y91 HydrophobicContact CE1-CD2 4.35Å; F39-Y91 AromaticContact CE1-CG 3.82Å; F39-Y91 HydrophobicContact CE1-CG 3.82Å; F39-Y91 HydrophobicContact CZ-CD2 4.47Å; F39-Y91 HydrophobicContact CZ-CG 4.33Å
40H95.7Very high92.7Very high33 Ų3339.4 Ų39.415%0.15320%0.2CC..EExtended strand (participates in β ladder)trans-158.6152.9176.5-174.6-98.6000110.5W38 S46 H48 V89 I90W38-H40 HydrophobicContact CE3-CB 4.32Å; W38-H40 HydrophobicContact CH2-CB 3.18Å; W38-H40 AromaticContact CH2-CG 3.75Å; W38-H40 HydrophobicContact CZ2-CB 3.35Å; W38-H40 AromaticContact CZ2-CG 3.82Å; W38-H40 HydrophobicContact CZ3-CB 3.68Å; H40-S46 PolarHBondContact CD2-O 3.05Å; H40-S46 PolarHBondContact CD2-OG 3.46Å; H40-S46 PolarHBondContact NE2-N 2.94Å; H40-S46 VanDerWaalsContact NE2-N 3.15Å; H40-S46 PolarHBondContact NE2-O 2.93Å; H40-S46 PolarHBondContact NE2-OG 3.47Å; H40-H48 AromaticContact CD2-CD2 3.48Å; H40-H48 PolarHBondContact CD2-CD2 2.98Å; H40-H48 VanDerWaalsContact CD2-CD2 3.48Å; H40-H48 AromaticContact CD2-NE2 3.76Å; H40-V89 CarbonylContact O-C 3.48Å; H40-I90 PolarHBondContact N-O 2.9Å; H40-I90 PolarHBondContact O-N 2.81Å
41L95.2Very high93Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-68.9143.1172.1-61176.2000110.8V44 S46 V74 S78 V87 V89L41-V44 HydrophobicContact CB-CG2 3.84Å; L41-V44 WeakPolarHBondContact CB-O 3.37Å; L41-V44 HydrophobicContact CD1-CG2 3.41Å; L41-V44 VanDerWaalsContact CD1-CG2 3.41Å; L41-V44 HydrophobicContact CG-CG2 4.22Å; L41-S46 PolarHBondContact N-OG 3.34Å; L41-V74 HydrophobicContact CD2-CG1 3.88Å; L41-V74 HydrophobicContact CG-CG1 3.73Å; L41-S78 VanDerWaalsContact CD1-CB 3.47Å; L41-V87 HydrophobicContact CB-CG1 4.48Å; L41-V87 HydrophobicContact CD1-CG1 4.27Å; L41-V87 HydrophobicContact CD2-CB 4.43Å; L41-V87 HydrophobicContact CD2-CG1 3.56Å; L41-V87 HydrophobicContact CG-CG1 4.3Å; L41-V89 HydrophobicContact CD2-CB 4.49Å; L41-V89 HydrophobicContact CD2-CG2 3.4Å
42D92.4Very high93.2Very high67 Ų6730 Ų3036%0.35817%0.165SC..SBendtrans-70.4-58-178.5-165.612.3000111.9Q88 I90 Y118D42-Q88 HydrophobicContact CB-CB 4.39Å; D42-Q88 PolarHBondContact N-O 3.23Å; D42-I90 HydrophobicContact CB-CD1 3.73Å; D42-I90 HydrophobicContact CB-CG1 3.98Å; D42-I90 VanDerWaalsContact CG-CD1 3.44Å; D42-I90 WeakPolarHBondContact OD1-CD1 2.95Å; D42-Y118 WeakPolarHBondContact OD2-CE1 3.4Å
43D89.5Confident93.3Very high127 Ų12730.8 Ų30.868%0.67917%0.168SC*.SBendtrans-87.3-13.8-167.8-59.7-51.5000114.8
44V91.3Very high93.2Very high21 Ų2129.4 Ų29.413%0.12717%0.166CC..SBendtrans-139150.4-171.1-62.60000111.9L41 S46 K80 M84L41-V44 HydrophobicContact CB-CG2 3.84Å; L41-V44 WeakPolarHBondContact CB-O 3.37Å; L41-V44 HydrophobicContact CD1-CG2 3.41Å; L41-V44 VanDerWaalsContact CD1-CG2 3.41Å; L41-V44 HydrophobicContact CG-CG2 4.22Å; V44-S46 PolarHBondContact O-N 3.44Å; V44-K80 HydrophobicContact CB-CB 4.42Å; V44-K80 HydrophobicContact CG1-CB 4.35Å; V44-M84 HydrophobicContact CG1-CE 3.96Å; V44-M84 HydrophobicContact CG1-SD 3.87Å
45S90.6Very high93Very high104 Ų10435.3 Ų35.373%0.72719%0.189SC*.  trans-62.2134.6175.5-178.90000111.5S78S45-S78 PolarHBondContact O-OG 3.46Å
46S92.4Very high92.6Very high13 Ų1335.4 Ų35.49%0.09121%0.208CC..  trans-148.5169.3179.161.60000111.7H40 L41 V44H40-S46 PolarHBondContact CD2-O 3.05Å; H40-S46 PolarHBondContact CD2-OG 3.46Å; H40-S46 PolarHBondContact NE2-N 2.94Å; H40-S46 VanDerWaalsContact NE2-N 3.15Å; H40-S46 PolarHBondContact NE2-O 2.93Å; H40-S46 PolarHBondContact NE2-OG 3.47Å; L41-S46 PolarHBondContact N-OG 3.34Å; V44-S46 PolarHBondContact O-N 3.44Å
47A92.3Very high92.2Very high18 Ų1837.4 Ų37.415%0.14922%0.218CC..  trans-63.4144.5169.200000111.4M18 V49 N77M18-A47 HydrophobicContact SD-CB 4.31Å; A47-V49 PolarHBondContact O-N 2.87Å; A47-N77 HydrophobicContact CB-CB 3.58Å; A47-N77 PolarHBondContact N-O 2.96Å; A47-N77 VanDerWaalsContact N-O 3.13Å
48H93.2Very high91.9Very high7 Ų743.2 Ų43.23%0.03225%0.246CC..  trans-83.2109.3172.4-69.1-161000108.1M18 N25 W38 H40 Y50 G106M18-H48 VanDerWaalsContact CB-O 3.23Å; M18-H48 WeakPolarHBondContact CB-O 3.41Å; N25-H48 HydrophobicContact CB-CB 4.37Å; W38-H48 AromaticContact CE2-ND1 3.9Å; W38-H48 AromaticContact CZ2-CE1 3.87Å; W38-H48 AromaticContact CZ2-ND1 3.93Å; W38-H48 AromaticContact NE1-CG 3.35Å; W38-H48 VanDerWaalsContact NE1-CG 3.35Å; W38-H48 AromaticContact NE1-ND1 3.25Å; W38-H48 PolarHBondContact NE1-ND1 3.37Å; H40-H48 AromaticContact CD2-CD2 3.48Å; H40-H48 PolarHBondContact CD2-CD2 2.98Å; H40-H48 VanDerWaalsContact CD2-CD2 3.48Å; H40-H48 AromaticContact CD2-NE2 3.76Å; H48-Y50 HydrophobicContact CB-CE2 3.95Å; H48-G106 PolarHBondContact CE1-O 3.05Å
49V95.7Very high91.6Very high0 Ų044.2 Ų44.20%025%0.25CC..EExtended strand (participates in β ladder)trans-100.5139.7178.21760000108.9I16 M18 W38 F39 A47 L73 V74I16-V49 HydrophobicContact CG2-CG1 3.44Å; I16-V49 VanDerWaalsContact CG2-CG1 3.44Å; M18-V49 HydrophobicContact CB-CG2 4.15Å; M18-V49 HydrophobicContact SD-CG2 4.04Å; W38-V49 CarbonylContact C-O 3.59Å; F39-V49 HydrophobicContact CB-CB 4.26Å; F39-V49 PolarHBondContact N-O 3.23Å; F39-V49 PolarHBondContact O-N 3.35Å; F39-V49 VanDerWaalsContact O-N 3.09Å; A47-V49 PolarHBondContact O-N 2.87Å; V49-L73 HydrophobicContact CG1-CD2 4.13Å; V49-L73 HydrophobicContact CG2-CD2 4.3Å; V49-L73 HydrophobicContact CG2-CG 4.35Å; V49-V74 HydrophobicContact CB-CG2 3.54Å; V49-V74 HydrophobicContact CG1-CG2 4.39Å; V49-V74 HydrophobicContact CG2-CB 4.34Å; V49-V74 HydrophobicContact CG2-CG2 3.41Å; V49-V74 VanDerWaalsContact CG2-CG2 3.41Å
50Y96.2Very high91.2Very high0 Ų051.4 Ų51.40%028%0.281CS..EExtended strand (participates in β ladder)trans-121137.6178.2-59.4-96000109.3I16 Y17 L28 I29 V37 W38 H48I16-Y50 CarbonylContact C-O 3.36Å; I16-Y50 VanDerWaalsContact CA-O 3.27Å; I16-Y50 WeakPolarHBondContact CA-O 3.39Å; Y17-Y50 HydrophobicContact CD2-CD2 4.07Å; Y17-Y50 HydrophobicContact CD2-CG 4.26Å; Y17-Y50 HydrophobicContact CE2-CD1 4.36Å; Y17-Y50 AromaticContact CE2-CD2 3.68Å; Y17-Y50 HydrophobicContact CE2-CD2 3.68Å; Y17-Y50 AromaticContact CE2-CG 3.57Å; Y17-Y50 HydrophobicContact CE2-CG 3.57Å; Y17-Y50 AromaticContact CZ-CG 3.75Å; Y17-Y50 PolarHBondContact N-O 2.88Å; Y17-Y50 PolarHBondContact O-N 3.34Å; Y17-Y50 WeakPolarHBondContact OH-CB 3.42Å; L28-Y50 HydrophobicContact CB-CD2 4.47Å; L28-Y50 HydrophobicContact CB-CE2 3.73Å; L28-Y50 HydrophobicContact CD1-CD2 4.23Å; L28-Y50 HydrophobicContact CD1-CE2 3.84Å; L28-Y50 HydrophobicContact CG-CE2 4.41Å; I29-Y50 WeakPolarHBondContact CG1-OH 3.37Å; V37-Y50 CarbonylContact O-C 3.39Å; V37-Y50 VanDerWaalsContact O-CA 3.26Å; V37-Y50 WeakPolarHBondContact O-CA 3.37Å; W38-Y50 HydrophobicContact CB-CD1 4.29Å; W38-Y50 HydrophobicContact CB-CE1 4.24Å; W38-Y50 AromaticContact CD1-CE1 3.41Å; W38-Y50 VanDerWaalsContact CD1-CE1 3.41Å; W38-Y50 AromaticContact CD1-CZ 3.52Å; W38-Y50 HydrophobicContact CG-CE1 4.2Å; H48-Y50 HydrophobicContact CB-CE2 3.95Å
51L96Very high91Very high0 Ų054.8 Ų54.80%030%0.3CS..EExtended strand (participates in β ladder)trans-111.5120171.5171.164.4000108.1A14 I16 D36 V37 F39 L53 I62 L66A14-L51 HydrophobicContact CB-CD1 3.82Å; I16-L51 HydrophobicContact CG1-CD1 3.84Å; D36-L51 CarbonylContact C-O 3.45Å; D36-L51 VanDerWaalsContact CA-O 3.31Å; D36-L51 WeakPolarHBondContact CA-O 3.38Å; V37-L51 HydrophobicContact CB-CB 4.31Å; V37-L51 PolarHBondContact N-O 3.39Å; V37-L51 PolarHBondContact O-N 2.93Å; F39-L51 HydrophobicContact CD2-CB 4.49Å; F39-L51 HydrophobicContact CE2-CB 3.66Å; F39-L51 HydrophobicContact CE2-CD2 4.31Å; F39-L51 HydrophobicContact CZ-CB 4.41Å; F39-L51 HydrophobicContact CZ-CD2 4.27Å; L51-L53 HydrophobicContact CD2-CD2 4.02Å; L51-L53 HydrophobicContact CG-CD2 4.39Å; L51-L53 PolarHBondContact O-N 2.95Å; L51-I62 HydrophobicContact CD2-CD1 4.35Å; L51-I62 HydrophobicContact CD2-CG2 4.12Å; L51-L66 HydrophobicContact CD1-CD1 3.98Å; L51-L66 HydrophobicContact CD1-CD2 4.01Å; L51-L66 HydrophobicContact CD1-CG 4.14Å; L51-L66 HydrophobicContact CD2-CD2 3.84Å; L51-L66 HydrophobicContact CD2-CG 3.96Å
52R93.8Very high90.9Very high50 Ų5055.4 Ų55.419%0.18930%0.304CS..EExtended strand (participates in β ladder)trans-83.6111.9169-174.3154.9-66.4167.73109V15 Y17 W33 D36V15-R52 HydrophobicContact CB-CB 4.25Å; V15-R52 PolarHBondContact O-N 3.5Å; Y17-R52 HydrophobicContact CE1-CB 4.37Å; W33-R52 VanDerWaalsContact CE2-NH1 3.34Å; W33-R52 VanDerWaalsContact CE3-CZ 3.45Å; W33-R52 VanDerWaalsContact CH2-NH1 3.34Å; W33-R52 VanDerWaalsContact CZ2-NH1 3.26Å; D36-R52 VanDerWaalsContact OD1-CA 3.3Å; D36-R52 WeakPolarHBondContact OD1-CA 3.43Å; D36-R52 VanDerWaalsContact OD1-CB 3.28Å; D36-R52 WeakPolarHBondContact OD1-CB 3.4Å; D36-R52 WeakPolarHBondContact OD1-CG 3.44Å; D36-R52 IonicContact OD1-CZ 3.42Å; D36-R52 IonicContact OD1-NE 2.83Å; D36-R52 PolarHBondContact OD1-NE 3Å; D36-R52 IonicContact OD1-NH2 3.57Å; D36-R52 PolarHBondContact OD1-NH2 3.29Å; D36-R52 IonicContact OD2-CZ 3.9Å; D36-R52 IonicContact OD2-NE 3.82Å; D36-R52 IonicContact OD2-NH2 2.66Å; D36-R52 PolarHBondContact OD2-NH2 3.37Å
53L91.2Very high90.9Very high19 Ų1954.5 Ų54.510%0.09930%0.302CS..PPolyproline II helixtrans-65.8131.3178.9-65.2170.4000109.8E35 V37 L51 L57 I62E35-L53 HydrophobicContact CB-CB 4.39Å; E35-L53 WeakPolarHBondContact O-CB 3.32Å; E35-L53 WeakPolarHBondContact O-CD1 3.17Å; E35-L53 VanDerWaalsContact O-CG 3.25Å; E35-L53 WeakPolarHBondContact O-CG 3.39Å; E35-L53 PolarHBondContact O-N 3.43Å; V37-L53 HydrophobicContact CG2-CD1 3.66Å; V37-L53 HydrophobicContact CG2-CD2 4.17Å; V37-L53 HydrophobicContact CG2-CG 3.84Å; L51-L53 HydrophobicContact CD2-CD2 4.02Å; L51-L53 HydrophobicContact CG-CD2 4.39Å; L51-L53 PolarHBondContact O-N 2.95Å; L53-L57 HydrophobicContact CD2-CD2 3.84Å; L53-I62 HydrophobicContact CD2-CD1 3.88Å; L53-I62 HydrophobicContact CD2-CG1 3.78Å
54P87.2Confident91.1Very high23 Ų2356.2 Ų56.215%0.14931%0.305CS..PPolyproline II helixtrans-65.3156.4171.726.9-31.2000110.4P12 G56 L57P12-P54 HydrophobicContact CG-CB 3.9Å; P54-G56 PolarHBondContact O-N 3.28Å; P54-L57 HydrophobicContact CG-CB 3.97Å; P54-L57 HydrophobicContact CG-CD2 4.3Å; P54-L57 PolarHBondContact O-N 2.99Å; P54-L57 VanDerWaalsContact O-N 3.07Å
55E83.7Confident91.2Very high181 Ų18157.6 Ų57.685%0.84632%0.319SS*.THydrogen-bonded Turntrans-55129.3178.6-67.3-167.616900110.7
56G83.1Confident91.4Very high71 Ų7152.6 Ų52.673%0.73228%0.284SS*.THydrogen-bonded Turntrans92-14.9-17900000115.4P54P54-G56 PolarHBondContact O-N 3.28Å
57L86.9Confident91.5Very high42 Ų4252.8 Ų52.822%0.2228%0.284CS..  trans-87.3128.6173.8-152.882000110.2L53 P54 L66L53-L57 HydrophobicContact CD2-CD2 3.84Å; P54-L57 HydrophobicContact CG-CB 3.97Å; P54-L57 HydrophobicContact CG-CD2 4.3Å; P54-L57 PolarHBondContact O-N 2.99Å; P54-L57 VanDerWaalsContact O-N 3.07Å; L57-L66 HydrophobicContact CD2-CD2 4.38Å
58H88.9Confident91.6Very high124 Ų12456.5 Ų56.557%0.57430%0.297SS*.  trans-102.1156.2177.7-64.1-56.7000111.7K60 D61H58-K60 PolarHBondContact O-N 3.45Å; H58-D61 PolarHBondContact O-N 2.84Å
59F91.2Very high91.8Very high28 Ų2856.3 Ų56.312%0.12330%0.296CS..G310 helixtrans-52.2-31.6178.6173.2-108.5000114V37 I62 Y91 P93 L115 R117V37-F59 HydrophobicContact CG1-CD2 3.97Å; V37-F59 HydrophobicContact CG1-CE2 3.82Å; V37-F59 HydrophobicContact CG2-CD2 3.88Å; F59-I62 HydrophobicContact CD2-CD1 4.19Å; F59-I62 WeakPolarHBondContact O-CG1 3.42Å; F59-Y91 AromaticContact CE2-CD2 3.6Å; F59-Y91 HydrophobicContact CE2-CD2 3.6Å; F59-Y91 AromaticContact CE2-CE2 3.9Å; F59-Y91 HydrophobicContact CE2-CE2 3.9Å; F59-Y91 AromaticContact CZ-CD2 3.98Å; F59-Y91 HydrophobicContact CZ-CD2 3.98Å; F59-Y91 HydrophobicContact CZ-CE2 4.01Å; F59-P93 HydrophobicContact CB-CG 4.3Å; F59-P93 HydrophobicContact CD1-CG 3.83Å; F59-P93 HydrophobicContact CD2-CG 3.7Å; F59-P93 HydrophobicContact CE1-CG 4.03Å; F59-P93 HydrophobicContact CE2-CG 3.9Å; F59-P93 HydrophobicContact CG-CG 3.66Å; F59-P93 HydrophobicContact CZ-CG 4.08Å; F59-L115 WeakPolarHBondContact CE1-O 3.5Å; F59-L115 VanDerWaalsContact CZ-O 3.31Å; F59-L115 WeakPolarHBondContact CZ-O 3.46Å; F59-R117 HydrophobicContact CE1-CG 4.16Å; F59-R117 HydrophobicContact CZ-CB 4.44Å; F59-R117 HydrophobicContact CZ-CG 3.99Å
60K89.1Confident91.8Very high151 Ų15156.3 Ų56.366%0.65730%0.296SS*.G310 helixtrans-79.2-22.4-179-62.2-171.7179176.10113.3H58 R117H58-K60 PolarHBondContact O-N 3.45Å; K60-R117 PolarHBondContact O-NH1 3.28Å
61D90.5Very high91.8Very high104 Ų10456.3 Ų56.356%0.55630%0.296SS*.G310 helixtrans-112.723-167.2-52.2-50.4000111.7H58 P63H58-D61 PolarHBondContact O-N 2.84Å; D61-P63 WeakPolarHBondContact O-CD 3.32Å
62I93.1Very high91.7Very high14 Ų1456.6 Ų56.67%0.07230%0.298CS..  trans-68.5122.3177.4-54.4174.3000108.6V37 L51 L53 F59 L66 L67V37-I62 HydrophobicContact CG1-CD1 4.42Å; V37-I62 HydrophobicContact CG2-CD1 4.1Å; L51-I62 HydrophobicContact CD2-CD1 4.35Å; L51-I62 HydrophobicContact CD2-CG2 4.12Å; L53-I62 HydrophobicContact CD2-CD1 3.88Å; L53-I62 HydrophobicContact CD2-CG1 3.78Å; F59-I62 HydrophobicContact CD2-CD1 4.19Å; F59-I62 WeakPolarHBondContact O-CG1 3.42Å; I62-L66 HydrophobicContact CG2-CB 4.19Å; I62-L66 HydrophobicContact CG2-CD2 4.06Å; I62-L66 HydrophobicContact CG2-CG 4.23Å; I62-L67 HydrophobicContact CB-CD2 4.05Å; I62-L67 HydrophobicContact CB-CG 4.12Å; I62-L67 HydrophobicContact CD1-CD2 4.2Å; I62-L67 HydrophobicContact CG2-CD2 3.68Å; I62-L67 HydrophobicContact CG2-CG 3.71Å
63P93.7Very high91.8Very high48 Ų4854.2 Ų54.231%0.31229%0.289SS..  trans-59.6142.2178.5-26.837.1000112V10 D61 A65 L66 L67V10-P63 HydrophobicContact CG1-CB 4.41Å; V10-P63 HydrophobicContact CG1-CG 3.77Å; D61-P63 WeakPolarHBondContact O-CD 3.32Å; P63-A65 PolarHBondContact O-N 3.02Å; P63-L66 WeakPolarHBondContact O-CB 3.42Å; P63-L66 PolarHBondContact O-N 3.18Å; P63-L67 PolarHBondContact O-N 3.06Å
64E93Very high92Very high162 Ų16253.3 Ų53.376%0.75728%0.284SS*.Hα-helixtrans-57.7-35.7-178.6-170.3-177.3171.100112.3L66 L67 K68E64-L66 VanDerWaalsContact C-N 3.31Å; E64-L66 PolarHBondContact O-N 2.9Å; E64-L67 PolarHBondContact O-N 3.07Å; E64-K68 VanDerWaalsContact O-CB 3.32Å; E64-K68 WeakPolarHBondContact O-CB 3.25Å; E64-K68 PolarHBondContact O-N 3.27Å
65A93.3Very high92.4Very high50 Ų5052.2 Ų52.241%0.41328%0.277SS..Hα-helixtrans-59.5-41.1175.700000112.4T9 P63 K68 D69T9-A65 HydrophobicContact CG2-CB 3.98Å; P63-A65 PolarHBondContact O-N 3.02Å; A65-K68 PolarHBondContact O-N 2.88Å; A65-D69 PolarHBondContact O-N 3.38Å
66L94.2Very high92.8Very high0 Ų044.7 Ų44.70%025%0.246CC..Hα-helixtrans-73.1-39.5178.3-175.457.8000111.6V10 A14 I16 L51 L57 I62 P63 E64 K68 D69 C70V10-L66 HydrophobicContact CG1-CD2 4.13Å; V10-L66 HydrophobicContact CG2-CD2 3.99Å; A14-L66 HydrophobicContact CB-CD1 3.7Å; A14-L66 HydrophobicContact CB-CD2 3.81Å; A14-L66 HydrophobicContact CB-CG 4.43Å; I16-L66 HydrophobicContact CD1-CD1 4.36Å; L51-L66 HydrophobicContact CD1-CD1 3.98Å; L51-L66 HydrophobicContact CD1-CD2 4.01Å; L51-L66 HydrophobicContact CD1-CG 4.14Å; L51-L66 HydrophobicContact CD2-CD2 3.84Å; L51-L66 HydrophobicContact CD2-CG 3.96Å; L57-L66 HydrophobicContact CD2-CD2 4.38Å; I62-L66 HydrophobicContact CG2-CB 4.19Å; I62-L66 HydrophobicContact CG2-CD2 4.06Å; I62-L66 HydrophobicContact CG2-CG 4.23Å; P63-L66 WeakPolarHBondContact O-CB 3.42Å; P63-L66 PolarHBondContact O-N 3.18Å; E64-L66 VanDerWaalsContact C-N 3.31Å; E64-L66 PolarHBondContact O-N 2.9Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.12Å; L66-D69 WeakPolarHBondContact O-CB 3.43Å; L66-D69 PolarHBondContact O-N 3.37Å; L66-C70 PolarHBondContact O-N 3.22Å; L66-C70 VanDerWaalsContact O-N 3.11Å; L66-C70 PolarHBondContact O-SG 3.31Å
67L95.6Very high93.3Very high17 Ų1744.5 Ų44.59%0.08923%0.227CC..Hα-helixtrans-59.4-42.3172.2-69.9175.8000111.2F39 I62 P63 E64 D69 C70 A71 Y91F39-L67 HydrophobicContact CE1-CD2 3.86Å; F39-L67 HydrophobicContact CZ-CD2 3.94Å; I62-L67 HydrophobicContact CB-CD2 4.05Å; I62-L67 HydrophobicContact CB-CG 4.12Å; I62-L67 HydrophobicContact CD1-CD2 4.2Å; I62-L67 HydrophobicContact CG2-CD2 3.68Å; I62-L67 HydrophobicContact CG2-CG 3.71Å; P63-L67 PolarHBondContact O-N 3.06Å; E64-L67 PolarHBondContact O-N 3.07Å; L67-D69 VanDerWaalsContact C-N 3.35Å; L67-C70 PolarHBondContact O-N 2.66Å; L67-A71 WeakPolarHBondContact O-CB 3.35Å; L67-A71 PolarHBondContact O-N 2.68Å; L67-Y91 HydrophobicContact CD2-CD2 4.09Å; L67-Y91 HydrophobicContact CD2-CE1 4.41Å; L67-Y91 HydrophobicContact CD2-CE2 3.91Å; L67-Y91 HydrophobicContact CD2-CG 4.44Å
68K95.1Very high93.6Very high96 Ų9642.7 Ų42.742%0.41722%0.219SC..Hα-helixtrans-63.5-40.8177.8-168.1178-179.7-1760111.3E64 A65 L66 A71 Q72 D125 I128E64-K68 VanDerWaalsContact O-CB 3.32Å; E64-K68 WeakPolarHBondContact O-CB 3.25Å; E64-K68 PolarHBondContact O-N 3.27Å; A65-K68 PolarHBondContact O-N 2.88Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.12Å; K68-A71 PolarHBondContact O-N 2.96Å; K68-Q72 HydrophobicContact CG-CG 4.24Å; K68-Q72 VanDerWaalsContact O-CB 3.29Å; K68-Q72 WeakPolarHBondContact O-CB 3.48Å; K68-Q72 WeakPolarHBondContact O-CG 3.48Å; K68-Q72 PolarHBondContact O-N 2.8Å; K68-D125 IonicContact NZ-OD2 2.68Å; K68-I128 HydrophobicContact CD-CD1 3.84Å; K68-I128 HydrophobicContact CG-CD1 3.94Å
69D95.6Very high93.7Very high3 Ų344.1 Ų44.12%0.01623%0.229CC..Hα-helixtrans-57.7-52.5174.3-82.316.1000112.2S7 T9 I16 A65 L66 L67 A71 Q72 L73 I128 R131 L132S7-D69 PolarHBondContact OG-OD2 3.42Å; T9-D69 WeakPolarHBondContact CG2-OD2 3.49Å; I16-D69 HydrophobicContact CD1-CB 4.29Å; A65-D69 PolarHBondContact O-N 3.38Å; L66-D69 WeakPolarHBondContact O-CB 3.43Å; L66-D69 PolarHBondContact O-N 3.37Å; L67-D69 VanDerWaalsContact C-N 3.35Å; D69-A71 PolarHBondContact O-N 2.62Å; D69-Q72 PolarHBondContact O-N 3.47Å; D69-L73 WeakPolarHBondContact O-CB 3.5Å; D69-L73 PolarHBondContact O-N 3.43Å; D69-I128 HydrophobicContact CB-CG2 4.45Å; D69-I128 VanDerWaalsContact OD1-CG2 3.29Å; D69-I128 WeakPolarHBondContact OD1-CG2 3.2Å; D69-R131 IonicContact OD1-CZ 3.5Å; D69-R131 IonicContact OD1-NH2 3.59Å; D69-R131 PolarHBondContact OD1-NH2 3.04Å; D69-R131 IonicContact OD2-CZ 3.89Å; D69-R131 IonicContact OD2-NH2 3.78Å; D69-R131 PolarHBondContact OD2-NH2 2.83Å; D69-L132 HydrophobicContact CB-CD1 4.09Å
70C96.1Very high93.7Very high0 Ų049.7 Ų49.70%025%0.253CS..Hα-helixtrans-60.8-46.8177.9-640000111.3F39 L66 L67 Q72 L73 V74F39-C70 HydrophobicContact CD1-CB 3.81Å; F39-C70 HydrophobicContact CD2-CB 4.19Å; F39-C70 HydrophobicContact CE1-CB 3.67Å; F39-C70 HydrophobicContact CE2-CB 4.06Å; F39-C70 HydrophobicContact CG-CB 4.1Å; F39-C70 HydrophobicContact CZ-CB 3.81Å; L66-C70 PolarHBondContact O-N 3.22Å; L66-C70 VanDerWaalsContact O-N 3.11Å; L66-C70 PolarHBondContact O-SG 3.31Å; L67-C70 PolarHBondContact O-N 2.66Å; C70-Q72 PolarHBondContact O-N 3.37Å; C70-L73 WeakPolarHBondContact O-CB 3.38Å; C70-L73 PolarHBondContact O-N 2.94Å; C70-V74 WeakPolarHBondContact O-CG2 3.37Å; C70-V74 PolarHBondContact O-N 3.05Å
71A95.7Very high93.7Very high0 Ų042.5 Ų42.50%022%0.222CC..Hα-helixtrans-65.3-39.3-177.400000112.6L67 K68 D69 L73 V74 K75 V89 V119 V121L67-A71 WeakPolarHBondContact O-CB 3.35Å; L67-A71 PolarHBondContact O-N 2.68Å; K68-A71 PolarHBondContact O-N 2.96Å; D69-A71 PolarHBondContact O-N 2.62Å; A71-L73 VanDerWaalsContact C-N 3.34Å; A71-V74 PolarHBondContact O-N 3.47Å; A71-K75 WeakPolarHBondContact O-CB 3.45Å; A71-K75 PolarHBondContact O-N 3.33Å; A71-V89 HydrophobicContact CB-CB 4.21Å; A71-V89 HydrophobicContact CB-CG1 4.34Å; A71-V89 HydrophobicContact CB-CG2 3.95Å; A71-V119 HydrophobicContact CB-CG1 3.71Å; A71-V121 HydrophobicContact CB-CG2 3.48Å; A71-V121 VanDerWaalsContact CB-CG2 3.48Å
72Q95.4Very high93.7Very high6 Ų639.8 Ų39.83%0.02821%0.207CC..Hα-helixtrans-65.7-38.5173.9-71.6-68.6-14.100111.6K68 D69 C70 K75 A76 K123 D125 I128 V129K68-Q72 HydrophobicContact CG-CG 4.24Å; K68-Q72 VanDerWaalsContact O-CB 3.29Å; K68-Q72 WeakPolarHBondContact O-CB 3.48Å; K68-Q72 WeakPolarHBondContact O-CG 3.48Å; K68-Q72 PolarHBondContact O-N 2.8Å; D69-Q72 PolarHBondContact O-N 3.47Å; C70-Q72 PolarHBondContact O-N 3.37Å; Q72-K75 PolarHBondContact O-N 2.96Å; Q72-A76 VanDerWaalsContact O-CB 3.27Å; Q72-A76 WeakPolarHBondContact O-CB 3.47Å; Q72-A76 PolarHBondContact O-N 3.1Å; Q72-K123 PolarHBondContact NE2-O 2.89Å; Q72-D125 HydrophobicContact CG-CB 4.26Å; Q72-I128 HydrophobicContact CB-CG2 4.04Å; Q72-I128 HydrophobicContact CG-CD1 4.24Å; Q72-I128 HydrophobicContact CG-CG2 4.29Å; Q72-V129 HydrophobicContact CB-CG2 4.23Å
73L95.3Very high93.6Very high0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-65.4-45.2176.2-169.666.3000111.6F5 I16 M18 V49 D69 C70 A71 K75 A76 N77 L132F5-L73 HydrophobicContact CD2-CD2 3.78Å; F5-L73 HydrophobicContact CE1-CD1 4.24Å; F5-L73 HydrophobicContact CE2-CD1 4.48Å; F5-L73 HydrophobicContact CE2-CD2 3.87Å; F5-L73 HydrophobicContact CG-CD2 4.23Å; F5-L73 HydrophobicContact CZ-CD1 4.15Å; F5-L73 HydrophobicContact CZ-CD2 4.36Å; I16-L73 HydrophobicContact CG2-CD2 3.7Å; M18-L73 HydrophobicContact SD-CD2 4.29Å; M18-L73 HydrophobicContact SD-CG 4.32Å; V49-L73 HydrophobicContact CG1-CD2 4.13Å; V49-L73 HydrophobicContact CG2-CD2 4.3Å; V49-L73 HydrophobicContact CG2-CG 4.35Å; D69-L73 WeakPolarHBondContact O-CB 3.5Å; D69-L73 PolarHBondContact O-N 3.43Å; C70-L73 WeakPolarHBondContact O-CB 3.38Å; C70-L73 PolarHBondContact O-N 2.94Å; A71-L73 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 3.34Å; L73-A76 PolarHBondContact O-N 2.89Å; L73-N77 PolarHBondContact O-N 2.79Å; L73-N77 PolarHBondContact O-ND2 3.07Å; L73-L132 HydrophobicContact CB-CD1 4.28Å
74V95.6Very high93.5Very high0 Ų049.4 Ų49.40%025%0.246CC..Hα-helixtrans-57.8-49.2174.8173.30000110.8F39 L41 V49 C70 A71 A76 N77 S78 V89F39-V74 HydrophobicContact CB-CG2 3.65Å; L41-V74 HydrophobicContact CD2-CG1 3.88Å; L41-V74 HydrophobicContact CG-CG1 3.73Å; V49-V74 HydrophobicContact CB-CG2 3.54Å; V49-V74 HydrophobicContact CG1-CG2 4.39Å; V49-V74 HydrophobicContact CG2-CB 4.34Å; V49-V74 HydrophobicContact CG2-CG2 3.41Å; V49-V74 VanDerWaalsContact CG2-CG2 3.41Å; C70-V74 WeakPolarHBondContact O-CG2 3.37Å; C70-V74 PolarHBondContact O-N 3.05Å; A71-V74 PolarHBondContact O-N 3.47Å; V74-A76 PolarHBondContact O-N 3.21Å; V74-N77 CarbonylContact O-C 3.51Å; V74-N77 PolarHBondContact O-N 3.34Å; V74-S78 PolarHBondContact O-N 2.96Å; V74-V89 HydrophobicContact CG1-CG1 4.44Å; V74-V89 HydrophobicContact CG1-CG2 4.37Å; V74-V89 HydrophobicContact CG2-CG1 4.44Å
75K94.4Very high93.4Very high0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-61-44179.4-179.5171-177.2139.70112.2A71 Q72 L73 N77 S78 N82 M84 V121A71-K75 WeakPolarHBondContact O-CB 3.45Å; A71-K75 PolarHBondContact O-N 3.33Å; Q72-K75 PolarHBondContact O-N 2.96Å; L73-K75 PolarHBondContact O-N 3.34Å; K75-N77 VanDerWaalsContact C-N 3.26Å; K75-N77 PolarHBondContact O-N 3.31Å; K75-S78 PolarHBondContact O-N 3.45Å; K75-N82 WeakPolarHBondContact O-CA 3.38Å; K75-N82 WeakPolarHBondContact O-CB 3.37Å; K75-N82 PolarHBondContact O-N 3.06Å; K75-M84 VanDerWaalsContact CE-O 3.23Å; K75-M84 WeakPolarHBondContact CE-O 3.34Å; K75-M84 PolarHBondContact NZ-O 2.95Å; K75-V121 HydrophobicContact CD-CB 4.17Å; K75-V121 HydrophobicContact CD-CG1 3.59Å; K75-V121 PolarHBondContact NZ-O 2.92Å; K75-V121 VanDerWaalsContact NZ-O 3.14Å
76A94Very high93.4Very high23 Ų2349.9 Ų49.919%0.1925%0.247CC..Hα-helixtrans-63.3-33.5178.300000112.3Q72 L73 V74 S78 V129Q72-A76 VanDerWaalsContact O-CB 3.27Å; Q72-A76 WeakPolarHBondContact O-CB 3.47Å; Q72-A76 PolarHBondContact O-N 3.1Å; L73-A76 PolarHBondContact O-N 2.89Å; V74-A76 PolarHBondContact O-N 3.21Å; A76-S78 VanDerWaalsContact C-N 3.31Å; A76-S78 PolarHBondContact O-N 2.69Å; A76-V129 HydrophobicContact CB-CG1 4.06Å; A76-V129 HydrophobicContact CB-CG2 3.9Å
77N93Very high93.4Very high66 Ų6650.3 Ų50.335%0.35325%0.249SC..THydrogen-bonded Turntrans-93.933.9177.8-66.3-79.6000112.9M18 A47 L73 V74 K75M18-N77 WeakPolarHBondContact CE-OD1 3.38Å; A47-N77 HydrophobicContact CB-CB 3.58Å; A47-N77 PolarHBondContact N-O 2.96Å; A47-N77 VanDerWaalsContact N-O 3.13Å; L73-N77 PolarHBondContact O-N 2.79Å; L73-N77 PolarHBondContact O-ND2 3.07Å; V74-N77 CarbonylContact O-C 3.51Å; V74-N77 PolarHBondContact O-N 3.34Å; K75-N77 VanDerWaalsContact C-N 3.26Å; K75-N77 PolarHBondContact O-N 3.31Å
78S92.3Very high93.4Very high5 Ų553.1 Ų53.14%0.03526%0.262CS..  trans-126.5127.5169.6177.10000110.7L41 S45 V74 K75 A76 K80 G81 N82L41-S78 VanDerWaalsContact CD1-CB 3.47Å; S45-S78 PolarHBondContact O-OG 3.46Å; V74-S78 PolarHBondContact O-N 2.96Å; K75-S78 PolarHBondContact O-N 3.45Å; A76-S78 VanDerWaalsContact C-N 3.31Å; A76-S78 PolarHBondContact O-N 2.69Å; S78-K80 VanDerWaalsContact C-N 3.34Å; S78-K80 PolarHBondContact O-N 3.19Å; S78-G81 WeakPolarHBondContact OG-CA 3.44Å; S78-G81 PolarHBondContact OG-N 2.83Å; S78-N82 WeakPolarHBondContact O-CB 3.36Å; S78-N82 PolarHBondContact O-N 2.98Å; S78-N82 VanDerWaalsContact O-N 3.12Å
79I90.9Very high93.4Very high153 Ų15348.5 Ų48.579%0.78524%0.242SC*.THydrogen-bonded Turntrans-61.6-43.4-179.5-59.7173.2000111.2
80K91.9Very high93.5Very high145 Ų14548.8 Ų48.863%0.6324%0.243SC*.THydrogen-bonded Turntrans-87.1-47.7179.4-68-174.8-179.1-179.70111.6V44 S78 N82 K83 M84V44-K80 HydrophobicContact CB-CB 4.42Å; V44-K80 HydrophobicContact CG1-CB 4.35Å; S78-K80 VanDerWaalsContact C-N 3.34Å; S78-K80 PolarHBondContact O-N 3.19Å; K80-N82 VanDerWaalsContact C-N 3.28Å; K80-N82 PolarHBondContact O-N 2.81Å; K80-K83 PolarHBondContact O-N 2.83Å; K80-K83 VanDerWaalsContact O-N 3.13Å; K80-M84 HydrophobicContact CB-CE 4.3Å
81G89.3Confident93.5Very high0 Ų049.7 Ų49.70%025%0.247CC..G310 helixtrans-63.6-29.9-174.400000114.2S78 K83 M84S78-G81 WeakPolarHBondContact OG-CA 3.44Å; S78-G81 PolarHBondContact OG-N 2.83Å; G81-K83 PolarHBondContact O-N 3.4Å; G81-M84 PolarHBondContact O-N 3.31Å
82N90Very high93.5Very high48 Ų4849.7 Ų49.726%0.25725%0.247SC..G310 helixtrans-62-25.4176.7-171.912.9000113.1K75 S78 K80 R124K75-N82 WeakPolarHBondContact O-CA 3.38Å; K75-N82 WeakPolarHBondContact O-CB 3.37Å; K75-N82 PolarHBondContact O-N 3.06Å; S78-N82 WeakPolarHBondContact O-CB 3.36Å; S78-N82 PolarHBondContact O-N 2.98Å; S78-N82 VanDerWaalsContact O-N 3.12Å; K80-N82 VanDerWaalsContact C-N 3.28Å; K80-N82 PolarHBondContact O-N 2.81Å; N82-R124 PolarHBondContact ND2-NH1 3.34Å; N82-R124 WeakPolarHBondContact OD1-CD 3.44Å; N82-R124 PolarHBondContact OD1-NH1 2.86Å
83K91.3Very high93.6Very high178 Ų17850.1 Ų50.177%0.77425%0.25SS*.G310 helixtrans-95.1-14.7-179.7-59.7179.4-176.5179.50113.5K80 G81K80-K83 PolarHBondContact O-N 2.83Å; K80-K83 VanDerWaalsContact O-N 3.13Å; G81-K83 PolarHBondContact O-N 3.4Å
84M91.3Very high93.5Very high85 Ų8552.5 Ų52.542%0.41926%0.259SS..  trans-87.6148.4-177.2-67.8172.317300110.5V44 K75 K80 G81 V87V44-M84 HydrophobicContact CG1-CE 3.96Å; V44-M84 HydrophobicContact CG1-SD 3.87Å; K75-M84 VanDerWaalsContact CE-O 3.23Å; K75-M84 WeakPolarHBondContact CE-O 3.34Å; K75-M84 PolarHBondContact NZ-O 2.95Å; K80-M84 HydrophobicContact CB-CE 4.3Å; G81-M84 PolarHBondContact O-N 3.31Å; M84-V87 HydrophobicContact CB-CG2 3.47Å; M84-V87 VanDerWaalsContact CB-CG2 3.47Å
85N92Very high93.4Very high114 Ų11455.3 Ų55.361%0.6128%0.279SS*.SBendtrans-100.4159170.1-66.3-32.7000109.9V87 E122N85-V87 VanDerWaalsContact C-N 3.34Å; N85-V87 PolarHBondContact O-N 3.27Å; N85-E122 CarbonylContact C-O 3.56Å; N85-E122 WeakPolarHBondContact CA-O 3.48Å; N85-E122 WeakPolarHBondContact CB-O 3.4Å
86N92.6Very high93.4Very high108 Ų10855.5 Ų55.558%0.57828%0.28SS*.SBendtrans53.847.6177.5-54.7-43000113V121 E122N86-V121 PolarHBondContact N-O 3.2Å; N86-E122 PolarHBondContact N-O 2.84Å; N86-E122 WeakPolarHBondContact OD1-CA 3.18Å
87V93.6Very high93.4Very high9 Ų955 Ų556%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-87.6138.2-177.7-169.60000109.5L41 M84 N85 V121L41-V87 HydrophobicContact CB-CG1 4.48Å; L41-V87 HydrophobicContact CD1-CG1 4.27Å; L41-V87 HydrophobicContact CD2-CB 4.43Å; L41-V87 HydrophobicContact CD2-CG1 3.56Å; L41-V87 HydrophobicContact CG-CG1 4.3Å; M84-V87 HydrophobicContact CB-CG2 3.47Å; M84-V87 VanDerWaalsContact CB-CG2 3.47Å; N85-V87 VanDerWaalsContact C-N 3.34Å; N85-V87 PolarHBondContact O-N 3.27Å; V87-V121 PolarHBondContact N-O 3.39Å; V87-V121 PolarHBondContact O-N 3.5Å
88Q95.7Very high93.4Very high76 Ų7656.8 Ų56.836%0.35528%0.278SS..EExtended strand (participates in β ladder)trans-89.7127.3174.5-61.3-170.140.100110.6D42 Y118D42-Q88 HydrophobicContact CB-CB 4.39Å; D42-Q88 PolarHBondContact N-O 3.23Å; Q88-Y118 HydrophobicContact CB-CD1 4.43Å
89V96.5Very high93.2Very high0 Ų059.6 Ų59.60%029%0.29CS..EExtended strand (participates in β ladder)trans-101.9122.9169.7175.20000107.6F39 H40 L41 A71 V74 Y118 V119 V121F39-V89 HydrophobicContact CB-CG1 4.18Å; F39-V89 HydrophobicContact CD1-CG1 4.04Å; H40-V89 CarbonylContact O-C 3.48Å; L41-V89 HydrophobicContact CD2-CB 4.49Å; L41-V89 HydrophobicContact CD2-CG2 3.4Å; A71-V89 HydrophobicContact CB-CB 4.21Å; A71-V89 HydrophobicContact CB-CG1 4.34Å; A71-V89 HydrophobicContact CB-CG2 3.95Å; V74-V89 HydrophobicContact CG1-CG1 4.44Å; V74-V89 HydrophobicContact CG1-CG2 4.37Å; V74-V89 HydrophobicContact CG2-CG1 4.44Å; V89-Y118 CarbonylContact O-C 3.52Å; V89-Y118 WeakPolarHBondContact O-CA 3.36Å; V89-V119 HydrophobicContact CB-CG1 3.72Å; V89-V119 HydrophobicContact CG1-CG1 4.14Å; V89-V119 PolarHBondContact N-O 2.86Å; V89-V119 PolarHBondContact O-N 3.31Å; V89-V121 HydrophobicContact CG2-CG2 4.21Å
90I96.4Very high93.1Very high9 Ų953.8 Ų53.85%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-78.6139.8168.8-71.6170.1000108.9W38 F39 H40 D42 F110 V116 R117 Y118W38-I90 HydrophobicContact CZ3-CG2 4.31Å; F39-I90 VanDerWaalsContact CA-O 3.25Å; F39-I90 WeakPolarHBondContact CA-O 3.49Å; H40-I90 PolarHBondContact N-O 2.9Å; H40-I90 PolarHBondContact O-N 2.81Å; D42-I90 HydrophobicContact CB-CD1 3.73Å; D42-I90 HydrophobicContact CB-CG1 3.98Å; D42-I90 VanDerWaalsContact CG-CD1 3.44Å; D42-I90 WeakPolarHBondContact OD1-CD1 2.95Å; I90-F110 HydrophobicContact CG2-CZ 4.14Å; I90-V116 HydrophobicContact CG1-CG1 4.44Å; I90-V116 HydrophobicContact CG2-CG1 3.48Å; I90-V116 VanDerWaalsContact CG2-CG1 3.48Å; I90-R117 CarbonylContact C-O 3.56Å; I90-R117 WeakPolarHBondContact CA-O 3.32Å; I90-Y118 HydrophobicContact CD1-CE1 3.81Å; I90-Y118 HydrophobicContact CG1-CD1 3.67Å; I90-Y118 HydrophobicContact CG1-CE1 3.35Å
91Y96.7Very high92.8Very high19 Ų1951.2 Ų51.28%0.07528%0.276CS..EExtended strand (participates in β ladder)trans-136.6141.816567.3-79.4000112.3V37 W38 F39 F59 L67 R117 V119V37-Y91 HydrophobicContact CG1-CD2 4.22Å; W38-Y91 CarbonylContact O-C 3.58Å; W38-Y91 WeakPolarHBondContact O-CA 3.32Å; F39-Y91 HydrophobicContact CD1-CG 4.24Å; F39-Y91 HydrophobicContact CE1-CD1 4.36Å; F39-Y91 HydrophobicContact CE1-CD2 4.35Å; F39-Y91 AromaticContact CE1-CG 3.82Å; F39-Y91 HydrophobicContact CE1-CG 3.82Å; F39-Y91 HydrophobicContact CZ-CD2 4.47Å; F39-Y91 HydrophobicContact CZ-CG 4.33Å; F59-Y91 AromaticContact CE2-CD2 3.6Å; F59-Y91 HydrophobicContact CE2-CD2 3.6Å; F59-Y91 AromaticContact CE2-CE2 3.9Å; F59-Y91 HydrophobicContact CE2-CE2 3.9Å; F59-Y91 AromaticContact CZ-CD2 3.98Å; F59-Y91 HydrophobicContact CZ-CD2 3.98Å; F59-Y91 HydrophobicContact CZ-CE2 4.01Å; L67-Y91 HydrophobicContact CD2-CD2 4.09Å; L67-Y91 HydrophobicContact CD2-CE1 4.41Å; L67-Y91 HydrophobicContact CD2-CE2 3.91Å; L67-Y91 HydrophobicContact CD2-CG 4.44Å; Y91-R117 HydrophobicContact CD1-CB 4Å; Y91-R117 WeakPolarHBondContact CD1-O 3.5Å; Y91-R117 HydrophobicContact CD2-CB 4.13Å; Y91-R117 HydrophobicContact CE1-CB 3.47Å; Y91-R117 VanDerWaalsContact CE1-CB 3.47Å; Y91-R117 HydrophobicContact CE2-CB 3.6Å; Y91-R117 HydrophobicContact CE2-CG 4.22Å; Y91-R117 HydrophobicContact CG-CB 4.3Å; Y91-R117 PolarHBondContact N-O 3.44Å; Y91-R117 PolarHBondContact O-N 2.95Å; Y91-R117 WeakPolarHBondContact OH-CB 3.15Å; Y91-R117 WeakPolarHBondContact OH-CD 3.31Å; Y91-V119 HydrophobicContact CD1-CB 4.46Å; Y91-V119 HydrophobicContact CD1-CG1 4.21Å; Y91-V119 HydrophobicContact CE1-CB 4.15Å; Y91-V119 HydrophobicContact CE1-CG1 4.39Å
92T96.5Very high92.8Very high0 Ų057.9 Ų57.90%031%0.312CS..EExtended strand (participates in β ladder)trans-152.4152.9-178177.80000110W38 N96 L97 F110W38-T92 HydrophobicContact CE3-CG2 3.83Å; W38-T92 HydrophobicContact CZ3-CG2 4.47Å; W38-T92 PolarHBondContact N-O 3.43Å; W38-T92 PolarHBondContact O-N 3.32Å; T92-N96 VanDerWaalsContact OG1-CB 3.31Å; T92-N96 WeakPolarHBondContact OG1-CB 3.3Å; T92-N96 PolarHBondContact OG1-ND2 3.49Å; T92-L97 HydrophobicContact CG2-CD2 3.63Å; T92-F110 HydrophobicContact CG2-CD1 3.93Å; T92-F110 HydrophobicContact CG2-CE1 3.71Å
93P96.3Very high92.8Very high14 Ų1457.7 Ų57.79%0.09131%0.31CS..EExtended strand (participates in β ladder)trans-59.7144.8172.7-20.934.1000110.7F59 S95 N96F59-P93 HydrophobicContact CB-CG 4.3Å; F59-P93 HydrophobicContact CD1-CG 3.83Å; F59-P93 HydrophobicContact CD2-CG 3.7Å; F59-P93 HydrophobicContact CE1-CG 4.03Å; F59-P93 HydrophobicContact CE2-CG 3.9Å; F59-P93 HydrophobicContact CG-CG 3.66Å; F59-P93 HydrophobicContact CZ-CG 4.08Å; P93-S95 PolarHBondContact O-N 3.43Å; P93-N96 WeakPolarHBondContact O-CB 3.2Å; P93-N96 PolarHBondContact O-N 3.05Å
94W94.3Very high92.6Very high51 Ų5155.2 Ų55.219%0.19331%0.305CS..G310 helixtrans-55.1-37.5176.3172.784.3000112.1I29 G32 D36 N96 L97I29-W94 WeakPolarHBondContact O-CZ2 3.43Å; I29-W94 PolarHBondContact O-NE1 3.11Å; G32-W94 WeakPolarHBondContact O-CH2 3.31Å; G32-W94 WeakPolarHBondContact O-CZ2 3.28Å; D36-W94 HydrophobicContact CB-CB 4.16Å; D36-W94 VanDerWaalsContact O-CB 3.24Å; D36-W94 WeakPolarHBondContact O-CB 3.36Å; D36-W94 PolarHBondContact O-N 2.92Å; W94-N96 PolarHBondContact O-N 2.85Å; W94-N96 VanDerWaalsContact O-N 3.08Å; W94-L97 WeakPolarHBondContact O-CB 3.24Å; W94-L97 WeakPolarHBondContact O-CG 3.31Å; W94-L97 PolarHBondContact O-N 3.43Å
95S92.9Very high92.3Very high59 Ų5954.7 Ų54.741%0.41331%0.307SS..G310 helixtrans-58.8-22.8177.2590000114.1P93 K111P93-S95 PolarHBondContact O-N 3.43Å; S95-K111 PolarHBondContact O-NZ 3.26Å
96N95.1Very high91.8Very high4 Ų450.4 Ų50.42%0.02129%0.289CS..G310 helixtrans-86.5-11.4178.1-169.537.4000113.5T92 P93 W94 K111 D112 L115T92-N96 VanDerWaalsContact OG1-CB 3.31Å; T92-N96 WeakPolarHBondContact OG1-CB 3.3Å; T92-N96 PolarHBondContact OG1-ND2 3.49Å; P93-N96 WeakPolarHBondContact O-CB 3.2Å; P93-N96 PolarHBondContact O-N 3.05Å; W94-N96 PolarHBondContact O-N 2.85Å; W94-N96 VanDerWaalsContact O-N 3.08Å; N96-K111 PolarHBondContact O-N 3.49Å; N96-K111 WeakPolarHBondContact OD1-CB 3.39Å; N96-K111 PolarHBondContact OD1-N 2.95Å; N96-D112 PolarHBondContact ND2-O 2.83Å; N96-D112 PolarHBondContact OD1-N 2.73Å; N96-D112 PolarHBondContact OD1-O 2.69Å; N96-L115 HydrophobicContact CB-CB 4.44Å; N96-L115 HydrophobicContact CB-CD1 4.18Å
97L93.7Very high91.6Very high12 Ų1250 Ų506%0.06328%0.284CS..EExtended strand (participates in β ladder)trans-69139.7178.9-56.6178.6000110.4W38 T92 W94 V108 F110 K111W38-L97 HydrophobicContact CB-CD1 3.88Å; W38-L97 HydrophobicContact CB-CD2 4.21Å; W38-L97 HydrophobicContact CB-CG 4.46Å; W38-L97 HydrophobicContact CD2-CD1 4.41Å; W38-L97 HydrophobicContact CD2-CD2 3.91Å; W38-L97 HydrophobicContact CE3-CD2 3.88Å; W38-L97 HydrophobicContact CG-CD1 3.87Å; W38-L97 HydrophobicContact CG-CD2 4.11Å; W38-L97 HydrophobicContact CZ3-CD2 4.49Å; T92-L97 HydrophobicContact CG2-CD2 3.63Å; W94-L97 WeakPolarHBondContact O-CB 3.24Å; W94-L97 WeakPolarHBondContact O-CG 3.31Å; W94-L97 PolarHBondContact O-N 3.43Å; L97-V108 HydrophobicContact CB-CG1 4.07Å; L97-V108 HydrophobicContact CD2-CG1 3.83Å; L97-V108 HydrophobicContact CG-CG1 4.36Å; L97-F110 HydrophobicContact CD2-CD1 4.24Å; L97-F110 HydrophobicContact CD2-CE1 4.1Å; L97-K111 VanDerWaalsContact O-CE 3.25Å; L97-K111 WeakPolarHBondContact O-CE 3.49Å
98K91.9Very high91.5Very high103 Ų10350.8 Ų50.845%0.44829%0.289SS..EExtended strand (participates in β ladder)trans-127.9118175.8-173.9-179.2179-176.10108.7T100 G109 K111K98-T100 HydrophobicContact CD-CG2 4.48Å; K98-T100 HydrophobicContact CG-CG2 4.32Å; K98-G109 PolarHBondContact N-O 3.49Å; K98-G109 CarbonylContact O-C 3.4Å; K98-G109 WeakPolarHBondContact O-CA 3.31Å; K98-G109 PolarHBondContact O-N 2.88Å; K98-K111 HydrophobicContact CB-CG 3.96Å
99K88.8Confident91.3Very high65 Ų6547.9 Ų47.928%0.28328%0.279SS..  trans-112.4122.8169.7-173.973.8-178.3-157.50108.5E26 M103 D104 Q107E26-K99 IonicContact OE1-NZ 2.62Å; E26-K99 PolarHBondContact OE1-NZ 2.92Å; E26-K99 VanDerWaalsContact OE2-CE 3.31Å; E26-K99 WeakPolarHBondContact OE2-CE 3.32Å; E26-K99 IonicContact OE2-NZ 3.46Å; E26-K99 PolarHBondContact OE2-NZ 3.29Å; K99-M103 HydrophobicContact CD-CB 4.25Å; K99-M103 HydrophobicContact CD-SD 4.47Å; K99-D104 PolarHBondContact NZ-O 2.64Å; K99-Q107 WeakPolarHBondContact CD-O 3.38Å; K99-Q107 WeakPolarHBondContact CE-O 3.37Å; K99-Q107 PolarHBondContact NZ-O 3.35Å
100T88.4Confident91.2Very high30 Ų3051 Ų5118%0.18429%0.293CS..  trans-103.5156.3171.160.70000109.6K98 D102 M103K98-T100 HydrophobicContact CD-CG2 4.48Å; K98-T100 HydrophobicContact CG-CG2 4.32Å; T100-D102 WeakPolarHBondContact CB-OD1 3.36Å; T100-D102 WeakPolarHBondContact CB-OD2 3.29Å; T100-D102 PolarHBondContact O-N 3.48Å; T100-D102 PolarHBondContact OG1-OD1 3.36Å; T100-D102 PolarHBondContact OG1-OD2 2.7Å; T100-M103 HydrophobicContact CG2-CE 4.39Å; T100-M103 WeakPolarHBondContact O-CB 3.49Å; T100-M103 PolarHBondContact O-N 2.66Å; T100-M103 VanDerWaalsContact O-N 3.16Å; T100-M103 VanDerWaalsContact OG1-CG 3.31Å; T100-M103 WeakPolarHBondContact OG1-CG 3.44Å
101G85Confident91.1Very high91 Ų9157.1 Ų57.194%0.93832%0.319SS*.THydrogen-bonded Turntrans-68.6-19.5-17600000113.6M103G101-M103 VanDerWaalsContact C-N 3.34Å
102D89.8Confident90.9Very high141 Ų14159.2 Ų59.275%0.75433%0.332SS*.THydrogen-bonded Turntrans-80.1-8175.137.4-64.6000113.7T100T100-D102 WeakPolarHBondContact CB-OD1 3.36Å; T100-D102 WeakPolarHBondContact CB-OD2 3.29Å; T100-D102 PolarHBondContact O-N 3.48Å; T100-D102 PolarHBondContact OG1-OD1 3.36Å; T100-D102 PolarHBondContact OG1-OD2 2.7Å
103M89.3Confident90.7Very high44 Ų4467.7 Ų67.722%0.21737%0.368CS..SBendtrans-89.4137177-73.5173.3-178.700112.1K99 T100 G101 Q107K99-M103 HydrophobicContact CD-CB 4.25Å; K99-M103 HydrophobicContact CD-SD 4.47Å; T100-M103 HydrophobicContact CG2-CE 4.39Å; T100-M103 WeakPolarHBondContact O-CB 3.49Å; T100-M103 PolarHBondContact O-N 2.66Å; T100-M103 VanDerWaalsContact O-N 3.16Å; T100-M103 VanDerWaalsContact OG1-CG 3.31Å; T100-M103 WeakPolarHBondContact OG1-CG 3.44Å; G101-M103 VanDerWaalsContact C-N 3.34Å; M103-Q107 HydrophobicContact CB-CB 4.23Å; M103-Q107 HydrophobicContact CB-CG 4.35Å; M103-Q107 HydrophobicContact CG-CG 4.32Å
104D87.4Confident90.6Very high125 Ų12573.8 Ų73.867%0.66840%0.4SS*.PPolyproline II helixtrans-61.4155.9175.8-76.5-32.7000112.3K99 G106 Q107K99-D104 PolarHBondContact NZ-O 2.64Å; D104-G106 PolarHBondContact O-N 2.89Å; D104-Q107 VanDerWaalsContact O-CB 3.31Å; D104-Q107 WeakPolarHBondContact O-CB 3.41Å; D104-Q107 PolarHBondContact O-N 3.27Å
105V84.9Confident90.5Very high74 Ų7474.3 Ų74.345%0.44841%0.407SS..THydrogen-bonded Turntrans-58.7124.7176.7-179.60000110.1K22 E26K22-V105 HydrophobicContact CB-CG1 4.02Å; K22-V105 HydrophobicContact CD-CG1 3.89Å; K22-V105 HydrophobicContact CG-CG1 3.83Å; E26-V105 HydrophobicContact CG-CG1 3.91Å
106G83.1Confident90.6Very high24 Ų2472.3 Ų72.325%0.24739%0.392CS..THydrogen-bonded Turntrans91.6-17.7-174.100000114.9E26 H48 D104E26-G106 PolarHBondContact OE1-N 3.32Å; H48-G106 PolarHBondContact CE1-O 3.05Å; D104-G106 PolarHBondContact O-N 2.89Å
107Q87.7Confident90.7Very high101 Ų10176 Ų7647%0.47241%0.405SS..  trans-75.6132173.2-173.2179.75.300110.3K99 M103 D104K99-Q107 WeakPolarHBondContact CD-O 3.38Å; K99-Q107 WeakPolarHBondContact CE-O 3.37Å; K99-Q107 PolarHBondContact NZ-O 3.35Å; M103-Q107 HydrophobicContact CB-CB 4.23Å; M103-Q107 HydrophobicContact CB-CG 4.35Å; M103-Q107 HydrophobicContact CG-CG 4.32Å; D104-Q107 VanDerWaalsContact O-CB 3.31Å; D104-Q107 WeakPolarHBondContact O-CB 3.41Å; D104-Q107 PolarHBondContact O-N 3.27Å
108V90.2Very high90.8Very high24 Ų2481 Ų8115%0.14542%0.424CS..  trans-130.7134.2179.4-169.20000109.1I29 W38 L97I29-V108 HydrophobicContact CD1-CG2 3.57Å; W38-V108 HydrophobicContact CH2-CB 4.49Å; W38-V108 HydrophobicContact CZ2-CB 4.36Å; W38-V108 HydrophobicContact CZ2-CG2 4.16Å; L97-V108 HydrophobicContact CB-CG1 4.07Å; L97-V108 HydrophobicContact CD2-CG1 3.83Å; L97-V108 HydrophobicContact CG-CG1 4.36Å
109G92.2Very high90.9Very high15 Ų1577.4 Ų77.416%0.15541%0.411CS..EExtended strand (participates in β ladder)trans-100.3170.6170.600000111.9K98K98-G109 PolarHBondContact N-O 3.49Å; K98-G109 CarbonylContact O-C 3.4Å; K98-G109 WeakPolarHBondContact O-CA 3.31Å; K98-G109 PolarHBondContact O-N 2.88Å
110F94.5Very high91.2Very high65 Ų6578.4 Ų78.429%0.28542%0.423SS..EExtended strand (participates in β ladder)trans-116.8142.3176.1-51.1-60.5000110.1W38 I90 T92 L97 V116W38-F110 HydrophobicContact CE3-CE1 4.25Å; W38-F110 HydrophobicContact CH2-CE1 4.42Å; W38-F110 HydrophobicContact CH2-CZ 4.38Å; W38-F110 AromaticContact CZ3-CE1 3.7Å; W38-F110 HydrophobicContact CZ3-CE1 3.7Å; W38-F110 AromaticContact CZ3-CZ 3.83Å; W38-F110 HydrophobicContact CZ3-CZ 3.83Å; I90-F110 HydrophobicContact CG2-CZ 4.14Å; T92-F110 HydrophobicContact CG2-CD1 3.93Å; T92-F110 HydrophobicContact CG2-CE1 3.71Å; L97-F110 HydrophobicContact CD2-CD1 4.24Å; L97-F110 HydrophobicContact CD2-CE1 4.1Å; F110-V116 HydrophobicContact CB-CG2 4.04Å; F110-V116 HydrophobicContact CD1-CG2 4.09Å; F110-V116 HydrophobicContact CD2-CG2 3.87Å; F110-V116 HydrophobicContact CE2-CG2 4.36Å; F110-V116 HydrophobicContact CG-CG2 3.71Å
111K93.8Very high91.4Very high139 Ų13977.3 Ų77.360%0.60442%0.416SS*.SBendtrans-75.7-49.9174.6-62.5174.3-174.61610110.5S95 N96 L97 K98S95-K111 PolarHBondContact O-NZ 3.26Å; N96-K111 PolarHBondContact O-N 3.49Å; N96-K111 WeakPolarHBondContact OD1-CB 3.39Å; N96-K111 PolarHBondContact OD1-N 2.95Å; L97-K111 VanDerWaalsContact O-CE 3.25Å; L97-K111 WeakPolarHBondContact O-CE 3.49Å; K98-K111 HydrophobicContact CB-CG 3.96Å
112D93.8Very high91.7Very high62 Ų6278.6 Ų78.633%0.33240%0.397SS..  trans-121.7124.6178-174.10.2000110.1N96 N114 L115N96-D112 PolarHBondContact ND2-O 2.83Å; N96-D112 PolarHBondContact OD1-N 2.73Å; N96-D112 PolarHBondContact OD1-O 2.69Å; D112-N114 VanDerWaalsContact C-N 3.29Å; D112-N114 PolarHBondContact O-N 3.04Å; D112-N114 WeakPolarHBondContact OD1-CB 3.49Å; D112-N114 PolarHBondContact OD1-N 3.47Å; D112-N114 PolarHBondContact OD1-ND2 3.22Å; D112-L115 HydrophobicContact CB-CD1 4.25Å; D112-L115 HydrophobicContact CB-CG 4.34Å
113K92.4Very high91.8Very high178 Ų17878.6 Ų78.677%0.77439%0.39SS*.G310 helixtrans-71.9-23.4176.9-67.6-176.2177.7-1770112.3L115 V116K113-L115 VanDerWaalsContact C-N 3.27Å; K113-L115 PolarHBondContact O-N 3.22Å; K113-V116 WeakPolarHBondContact O-CB 3.46Å; K113-V116 PolarHBondContact O-N 2.72Å
114N93.1Very high91.8Very high142 Ų14281.7 Ų81.776%0.75940%0.4SS*.G310 helixtrans-73.3-20.2-178.5-61-37.4000113.3D112 V116D112-N114 VanDerWaalsContact C-N 3.29Å; D112-N114 PolarHBondContact O-N 3.04Å; D112-N114 WeakPolarHBondContact OD1-CB 3.49Å; D112-N114 PolarHBondContact OD1-N 3.47Å; D112-N114 PolarHBondContact OD1-ND2 3.22Å; N114-V116 VanDerWaalsContact C-N 3.32Å
115L93.1Very high92Very high63 Ų6378 Ų7833%0.3338%0.38SS..G310 helixtrans-85.1-8.9174.6-67.9177.5000112.8F59 N96 D112 K113F59-L115 WeakPolarHBondContact CE1-O 3.5Å; F59-L115 VanDerWaalsContact CZ-O 3.31Å; F59-L115 WeakPolarHBondContact CZ-O 3.46Å; N96-L115 HydrophobicContact CB-CB 4.44Å; N96-L115 HydrophobicContact CB-CD1 4.18Å; D112-L115 HydrophobicContact CB-CD1 4.25Å; D112-L115 HydrophobicContact CB-CG 4.34Å; K113-L115 VanDerWaalsContact C-N 3.27Å; K113-L115 PolarHBondContact O-N 3.22Å
116V95.4Very high92.3Very high16 Ų1678.2 Ų78.210%0.09738%0.379CS..  trans-81.1125.7176.9-174.60000108.7I90 F110 K113 N114 Y118I90-V116 HydrophobicContact CG1-CG1 4.44Å; I90-V116 HydrophobicContact CG2-CG1 3.48Å; I90-V116 VanDerWaalsContact CG2-CG1 3.48Å; F110-V116 HydrophobicContact CB-CG2 4.04Å; F110-V116 HydrophobicContact CD1-CG2 4.09Å; F110-V116 HydrophobicContact CD2-CG2 3.87Å; F110-V116 HydrophobicContact CE2-CG2 4.36Å; F110-V116 HydrophobicContact CG-CG2 3.71Å; K113-V116 WeakPolarHBondContact O-CB 3.46Å; K113-V116 PolarHBondContact O-N 2.72Å; N114-V116 VanDerWaalsContact C-N 3.32Å; V116-Y118 HydrophobicContact CG1-CE2 4.24Å
117R95.8Very high92.8Very high82 Ų8280.5 Ų80.531%0.30940%0.395SS..EExtended strand (participates in β ladder)trans-122.4160.1177.8-65.6-173.8171.2-159.7-5.5110.4F59 K60 I90 Y91F59-R117 HydrophobicContact CE1-CG 4.16Å; F59-R117 HydrophobicContact CZ-CB 4.44Å; F59-R117 HydrophobicContact CZ-CG 3.99Å; K60-R117 PolarHBondContact O-NH1 3.28Å; I90-R117 CarbonylContact C-O 3.56Å; I90-R117 WeakPolarHBondContact CA-O 3.32Å; Y91-R117 HydrophobicContact CD1-CB 4Å; Y91-R117 WeakPolarHBondContact CD1-O 3.5Å; Y91-R117 HydrophobicContact CD2-CB 4.13Å; Y91-R117 HydrophobicContact CE1-CB 3.47Å; Y91-R117 VanDerWaalsContact CE1-CB 3.47Å; Y91-R117 HydrophobicContact CE2-CB 3.6Å; Y91-R117 HydrophobicContact CE2-CG 4.22Å; Y91-R117 HydrophobicContact CG-CB 4.3Å; Y91-R117 PolarHBondContact N-O 3.44Å; Y91-R117 PolarHBondContact O-N 2.95Å; Y91-R117 WeakPolarHBondContact OH-CB 3.15Å; Y91-R117 WeakPolarHBondContact OH-CD 3.31Å
118Y95.2Very high93.1Very high118 Ų11876.5 Ų76.546%0.46338%0.377SS..EExtended strand (participates in β ladder)trans-123.9141-176.1-61.6-95000110.3D42 Q88 V89 I90 V116D42-Y118 WeakPolarHBondContact OD2-CE1 3.4Å; Q88-Y118 HydrophobicContact CB-CD1 4.43Å; V89-Y118 CarbonylContact O-C 3.52Å; V89-Y118 WeakPolarHBondContact O-CA 3.36Å; I90-Y118 HydrophobicContact CD1-CE1 3.81Å; I90-Y118 HydrophobicContact CG1-CD1 3.67Å; I90-Y118 HydrophobicContact CG1-CE1 3.35Å; V116-Y118 HydrophobicContact CG1-CE2 4.24Å
119V94.8Very high93.3Very high27 Ų2776 Ų7616%0.16437%0.374CS..EExtended strand (participates in β ladder)trans-128.1127.4168.562.80000108.8A71 V89 Y91A71-V119 HydrophobicContact CB-CG1 3.71Å; V89-V119 HydrophobicContact CB-CG1 3.72Å; V89-V119 HydrophobicContact CG1-CG1 4.14Å; V89-V119 PolarHBondContact N-O 2.86Å; V89-V119 PolarHBondContact O-N 3.31Å; Y91-V119 HydrophobicContact CD1-CB 4.46Å; Y91-V119 HydrophobicContact CD1-CG1 4.21Å; Y91-V119 HydrophobicContact CE1-CB 4.15Å; Y91-V119 HydrophobicContact CE1-CG1 4.39Å
120T94.3Very high93.4Very high86 Ų8679.6 Ų79.653%0.52839%0.39SS..EExtended strand (participates in β ladder)trans-90.9128.4-178.2-60.60000110
121V93Very high93.4Very high7 Ų780.4 Ų80.44%0.04239%0.391CS..EExtended strand (participates in β ladder)trans-112.5100.7176.1-175.90000109.7A71 K75 N86 V87 V89 K123A71-V121 HydrophobicContact CB-CG2 3.48Å; A71-V121 VanDerWaalsContact CB-CG2 3.48Å; K75-V121 HydrophobicContact CD-CB 4.17Å; K75-V121 HydrophobicContact CD-CG1 3.59Å; K75-V121 PolarHBondContact NZ-O 2.92Å; K75-V121 VanDerWaalsContact NZ-O 3.14Å; N86-V121 PolarHBondContact N-O 3.2Å; V87-V121 PolarHBondContact N-O 3.39Å; V87-V121 PolarHBondContact O-N 3.5Å; V89-V121 HydrophobicContact CG2-CG2 4.21Å; V121-K123 WeakPolarHBondContact CG1-O 3.26Å
122E90.9Very high93.4Very high118 Ų11873.8 Ų73.855%0.55136%0.362SS*.  trans-56.8-57.8179.8-63.7-174.617800111.8N85 N86N85-E122 CarbonylContact C-O 3.56Å; N85-E122 WeakPolarHBondContact CA-O 3.48Å; N85-E122 WeakPolarHBondContact CB-O 3.4Å; N86-E122 PolarHBondContact N-O 2.84Å; N86-E122 WeakPolarHBondContact OD1-CA 3.18Å
123K91.8Very high93.5Very high140 Ų14074.2 Ų74.261%0.60936%0.364SS*.SBendtrans-137.4155.7-171.9-23.7-177-169179.90109.8Q72 V121 D125Q72-K123 PolarHBondContact NE2-O 2.89Å; V121-K123 WeakPolarHBondContact CG1-O 3.26Å; K123-D125 PolarHBondContact O-N 2.81Å
124R89.6Confident93.6Very high109 Ų10974.5 Ų74.541%0.41137%0.365SS..  trans-69.6125.4172.5-171.7177.488.3-167.36.6110.3N82 N126N82-R124 PolarHBondContact ND2-NH1 3.34Å; N82-R124 WeakPolarHBondContact OD1-CD 3.44Å; N82-R124 PolarHBondContact OD1-NH1 2.86Å; R124-N126 PolarHBondContact NE-OD1 3.36Å; R124-N126 PolarHBondContact NH2-OD1 2.81Å
125D92.5Very high93.6Very high49 Ų4970 Ų7026%0.26234%0.343SS..  trans-97100.1172.7-167.5-27.2000109.9K68 Q72 K123 A127 I128 V129K68-D125 IonicContact NZ-OD2 2.68Å; Q72-D125 HydrophobicContact CG-CB 4.26Å; K123-D125 PolarHBondContact O-N 2.81Å; D125-A127 PolarHBondContact O-N 2.99Å; D125-A127 WeakPolarHBondContact OD1-CB 3.42Å; D125-A127 PolarHBondContact OD1-N 3.23Å; D125-I128 HydrophobicContact CB-CB 4.31Å; D125-I128 HydrophobicContact CB-CD1 3.98Å; D125-I128 HydrophobicContact CB-CG1 4.2Å; D125-I128 PolarHBondContact O-N 2.83Å; D125-I128 PolarHBondContact OD1-N 2.75Å; D125-I128 WeakPolarHBondContact OD2-CD1 3.29Å; D125-V129 WeakPolarHBondContact O-CG2 3.36Å; D125-V129 PolarHBondContact O-N 2.98Å
126N91.5Very high93.6Very high78 Ų7871.5 Ų71.542%0.41735%0.347SS..Hα-helixtrans-63.8-28.3179.7-64.8-54.4000112.5R124 N130R124-N126 PolarHBondContact NE-OD1 3.36Å; R124-N126 PolarHBondContact NH2-OD1 2.81Å; N126-N130 WeakPolarHBondContact O-CB 3.14Å; N126-N130 PolarHBondContact O-N 3.08Å; N126-N130 PolarHBondContact O-ND2 2.87Å; N126-N130 VanDerWaalsContact O-ND2 3.15Å
127A94Very high93.6Very high71 Ų7175.5 Ų75.559%0.58737%0.367SS*.Hα-helixtrans-67.4-44.9-178.100000110.6D125 N130 R131D125-A127 PolarHBondContact O-N 2.99Å; D125-A127 WeakPolarHBondContact OD1-CB 3.42Å; D125-A127 PolarHBondContact OD1-N 3.23Å; A127-N130 PolarHBondContact O-N 2.98Å; A127-R131 WeakPolarHBondContact O-CB 3.27Å; A127-R131 PolarHBondContact O-N 2.84Å
128I93.2Very high93.4Very high17 Ų1775.2 Ų75.29%0.08737%0.374CS..Hα-helixtrans-62.9-49.7176.4-65.2176.1000110.7K68 D69 Q72 D125 N130 R131 L132K68-I128 HydrophobicContact CD-CD1 3.84Å; K68-I128 HydrophobicContact CG-CD1 3.94Å; D69-I128 HydrophobicContact CB-CG2 4.45Å; D69-I128 VanDerWaalsContact OD1-CG2 3.29Å; D69-I128 WeakPolarHBondContact OD1-CG2 3.2Å; Q72-I128 HydrophobicContact CB-CG2 4.04Å; Q72-I128 HydrophobicContact CG-CD1 4.24Å; Q72-I128 HydrophobicContact CG-CG2 4.29Å; D125-I128 HydrophobicContact CB-CB 4.31Å; D125-I128 HydrophobicContact CB-CD1 3.98Å; D125-I128 HydrophobicContact CB-CG1 4.2Å; D125-I128 PolarHBondContact O-N 2.83Å; D125-I128 PolarHBondContact OD1-N 2.75Å; D125-I128 WeakPolarHBondContact OD2-CD1 3.29Å; I128-N130 VanDerWaalsContact C-N 3.32Å; I128-N130 PolarHBondContact O-N 3.47Å; I128-R131 PolarHBondContact O-N 2.93Å; I128-L132 HydrophobicContact CG2-CD1 4.03Å; I128-L132 WeakPolarHBondContact O-CG 3.39Å; I128-L132 PolarHBondContact O-N 2.77Å
129V94Very high93.2Very high13 Ų1373.7 Ų73.78%0.07937%0.37CS..Hα-helixtrans-61.1-42.6-179.3175.10000111.1Q72 A76 D125 L132 N133Q72-V129 HydrophobicContact CB-CG2 4.23Å; A76-V129 HydrophobicContact CB-CG1 4.06Å; A76-V129 HydrophobicContact CB-CG2 3.9Å; D125-V129 WeakPolarHBondContact O-CG2 3.36Å; D125-V129 PolarHBondContact O-N 2.98Å; V129-L132 PolarHBondContact O-N 2.94Å; V129-N133 WeakPolarHBondContact CG1-ND2 3.47Å; V129-N133 WeakPolarHBondContact O-CB 3.33Å; V129-N133 PolarHBondContact O-N 2.87Å; V129-N133 PolarHBondContact O-ND2 3.46Å; V129-N133 VanDerWaalsContact O-ND2 3.14Å
130N94.8Very high92.7Very high92 Ų9276.3 Ų76.349%0.49239%0.389SS..Hα-helixtrans-67.9-38.4177.8-70.9-19.9000112.1N126 A127 I128 N133 K134N126-N130 WeakPolarHBondContact O-CB 3.14Å; N126-N130 PolarHBondContact O-N 3.08Å; N126-N130 PolarHBondContact O-ND2 2.87Å; N126-N130 VanDerWaalsContact O-ND2 3.15Å; A127-N130 PolarHBondContact O-N 2.98Å; I128-N130 VanDerWaalsContact C-N 3.32Å; I128-N130 PolarHBondContact O-N 3.47Å; N130-N133 PolarHBondContact O-N 3.42Å; N130-K134 WeakPolarHBondContact O-CG 3.47Å; N130-K134 PolarHBondContact O-N 3.49Å
131R94.9Very high92Very high82 Ų8276.3 Ų76.331%0.30941%0.407SS..Hα-helixtrans-60.3-50.1173.9-177.5-171.663.7-159.8-8.9110.7D8 D69 A127 I128 N133 K134D8-R131 WeakPolarHBondContact OD1-CD 3.34Å; D8-R131 IonicContact OD1-CZ 3.79Å; D8-R131 IonicContact OD1-NE 3.94Å; D8-R131 PolarHBondContact OD1-NE 3.01Å; D8-R131 IonicContact OD1-NH1 3.71Å; D8-R131 PolarHBondContact OD1-NH1 2.84Å; D69-R131 IonicContact OD1-CZ 3.5Å; D69-R131 IonicContact OD1-NH2 3.59Å; D69-R131 PolarHBondContact OD1-NH2 3.04Å; D69-R131 IonicContact OD2-CZ 3.89Å; D69-R131 IonicContact OD2-NH2 3.78Å; D69-R131 PolarHBondContact OD2-NH2 2.83Å; A127-R131 WeakPolarHBondContact O-CB 3.27Å; A127-R131 PolarHBondContact O-N 2.84Å; I128-R131 PolarHBondContact O-N 2.93Å; R131-N133 PolarHBondContact O-N 3.18Å; R131-K134 WeakPolarHBondContact O-CB 3.39Å; R131-K134 PolarHBondContact O-N 3.4Å
132L94.4Very high91.3Very high0 Ų078 Ų780%042%0.415CS..Hα-helixtrans-61.4-45.6179.2-68.6172.5000111.1F5 I16 D69 L73 I128 V129 K134 T135 K136F5-L132 HydrophobicContact CD1-CB 4.31Å; F5-L132 WeakPolarHBondContact CD1-O 3.36Å; I16-L132 HydrophobicContact CD1-CD2 4.31Å; D69-L132 HydrophobicContact CB-CD1 4.09Å; L73-L132 HydrophobicContact CB-CD1 4.28Å; I128-L132 HydrophobicContact CG2-CD1 4.03Å; I128-L132 WeakPolarHBondContact O-CG 3.39Å; I128-L132 PolarHBondContact O-N 2.77Å; V129-L132 PolarHBondContact O-N 2.94Å; L132-K134 PolarHBondContact O-N 2.89Å; L132-K134 VanDerWaalsContact O-N 3.15Å; L132-T135 WeakPolarHBondContact O-CA 3.45Å; L132-T135 PolarHBondContact O-N 3.42Å; L132-T135 PolarHBondContact O-OG1 2.71Å; L132-K136 PolarHBondContact O-N 2.83Å
133N94.1Very high91.1Very high70 Ų7077.1 Ų77.137%0.37441%0.414SS..Hα-helixtrans-60.2-25.8179-80.5-37.2000114.1V129 N130 R131 T135 K136V129-N133 WeakPolarHBondContact CG1-ND2 3.47Å; V129-N133 WeakPolarHBondContact O-CB 3.33Å; V129-N133 PolarHBondContact O-N 2.87Å; V129-N133 PolarHBondContact O-ND2 3.46Å; V129-N133 VanDerWaalsContact O-ND2 3.14Å; N130-N133 PolarHBondContact O-N 3.42Å; R131-N133 PolarHBondContact O-N 3.18Å; N133-T135 VanDerWaalsContact C-N 3.26Å; N133-T135 PolarHBondContact O-N 3.45Å; N133-K136 WeakPolarHBondContact O-CB 3.34Å; N133-K136 PolarHBondContact O-N 3.44Å
134K94.6Very high90.6Very high184 Ų18471.3 Ų71.380%0.839%0.39SS*.Hα-helixtrans-67.1-27.6172.5-71.1172.8-177.5-176.40112.9N130 R131 L132 K136N130-K134 WeakPolarHBondContact O-CG 3.47Å; N130-K134 PolarHBondContact O-N 3.49Å; R131-K134 WeakPolarHBondContact O-CB 3.39Å; R131-K134 PolarHBondContact O-N 3.4Å; L132-K134 PolarHBondContact O-N 2.89Å; L132-K134 VanDerWaalsContact O-N 3.15Å; K134-K136 VanDerWaalsContact C-N 3.33Å
135T93.5Very high90.3Very high49 Ų4972.4 Ų72.430%0.30139%0.394SS..THydrogen-bonded Turntrans-936178.2700000112.9S6 L132 N133 I137S6-T135 PolarHBondContact N-OG1 3.32Å; S6-T135 PolarHBondContact O-OG1 3.24Å; L132-T135 WeakPolarHBondContact O-CA 3.45Å; L132-T135 PolarHBondContact O-N 3.42Å; L132-T135 PolarHBondContact O-OG1 2.71Å; N133-T135 VanDerWaalsContact C-N 3.26Å; N133-T135 PolarHBondContact O-N 3.45Å; T135-I137 PolarHBondContact O-N 2.96Å
136K94.2Very high89.9Confident94 Ų9475 Ų7541%0.40940%0.404SS..  trans-66.6121-175179.8176.2163.3171.10110.7L3 F4 F5 L132 N133 K134L3-K136 HydrophobicContact CD2-CD 4.27Å; L3-K136 VanDerWaalsContact CD2-NZ 3.31Å; F4-K136 CarbonylContact O-C 3.58Å; F4-K136 VanDerWaalsContact O-CA 3.28Å; F4-K136 WeakPolarHBondContact O-CA 3.43Å; F5-K136 HydrophobicContact CD1-CB 3.96Å; F5-K136 HydrophobicContact CD1-CG 4.36Å; F5-K136 HydrophobicContact CE1-CB 3.71Å; F5-K136 HydrophobicContact CE1-CD 3.93Å; F5-K136 HydrophobicContact CE1-CG 3.75Å; F5-K136 HydrophobicContact CZ-CD 4.12Å; F5-K136 HydrophobicContact CZ-CG 4.08Å; L132-K136 PolarHBondContact O-N 2.83Å; N133-K136 WeakPolarHBondContact O-CB 3.34Å; N133-K136 PolarHBondContact O-N 3.44Å; K134-K136 VanDerWaalsContact C-N 3.33Å
137I94.3Very high89.6Confident100 Ų10074.2 Ų74.251%0.51340%0.398SS..EExtended strand (participates in β ladder)trans-117.3123.6172.7-59.4171.5000107.7F4 T135 K139F4-I137 HydrophobicContact CB-CB 4.4Å; F4-I137 PolarHBondContact N-O 2.89Å; F4-I137 PolarHBondContact O-N 2.95Å; T135-I137 PolarHBondContact O-N 2.96Å; I137-K139 HydrophobicContact CG2-CG 4.1Å
138V92.6Very high89.2Confident76 Ų7672.1 Ų72.146%0.46138%0.375SS..EExtended strand (participates in β ladder)trans-94.2122.6174.4-177.20000108.1M1M1-V138 HydrophobicContact CB-CG1 4.05Å; M1-V138 HydrophobicContact SD-CG1 3.85Å
139K89.5Confident88.9Confident86 Ų8675.2 Ų75.237%0.37439%0.389SS..EExtended strand (participates in β ladder)trans-113.7126.2174.9-65.1-170.8-176.5177.90109.4V2 F4 I137 L142V2-K139 PolarHBondContact N-O 2.95Å; V2-K139 VanDerWaalsContact N-O 3.08Å; V2-K139 PolarHBondContact O-N 2.93Å; F4-K139 HydrophobicContact CD2-CB 4.24Å; F4-K139 HydrophobicContact CD2-CD 3.85Å; F4-K139 HydrophobicContact CD2-CG 3.96Å; F4-K139 HydrophobicContact CE2-CB 4.09Å; F4-K139 HydrophobicContact CE2-CD 3.74Å; F4-K139 HydrophobicContact CE2-CG 4.13Å; F4-K139 HydrophobicContact CZ-CD 4.42Å; I137-K139 HydrophobicContact CG2-CG 4.1Å; K139-L142 HydrophobicContact CB-CD1 3.41Å; K139-L142 VanDerWaalsContact CB-CD1 3.41Å; K139-L142 HydrophobicContact CB-CD2 4.28Å; K139-L142 HydrophobicContact CB-CG 3.84Å; K139-L142 HydrophobicContact CD-CD1 4.03Å; K139-L142 HydrophobicContact CD-CD2 4.07Å; K139-L142 HydrophobicContact CD-CG 4.47Å; K139-L142 HydrophobicContact CG-CD1 4.36Å
140S85.3Confident88.7Confident81 Ų8178.3 Ų78.357%0.56640%0.403SS*.  trans-110.9148.1178.3-59.70000109.7M1 L142M1-S140 WeakPolarHBondContact CG-OG 3.4Å; M1-S140 PolarHBondContact SD-OG 3.2Å; M1-S140 VanDerWaalsContact SD-OG 3.35Å; S140-L142 VanDerWaalsContact C-N 3.32Å; S140-L142 PolarHBondContact O-N 2.89Å
141G79.5Confident88.3Confident87 Ų8775.3 Ų75.390%0.89739%0.385SS*.SBendtrans68.926.8177.900000114.6D143G141-D143 PolarHBondContact O-N 3.1Å
142L79.3Confident87.9Confident41 Ų4173 Ų7322%0.21538%0.379CS..  trans-71.7117.7174.2-74.1167.3000110.1V2 F4 K139 S140 L144 E147V2-L142 HydrophobicContact CB-CD1 3.94Å; V2-L142 HydrophobicContact CG2-CD1 4.16Å; F4-L142 HydrophobicContact CE2-CD1 3.55Å; F4-L142 HydrophobicContact CZ-CD1 3.98Å; K139-L142 HydrophobicContact CB-CD1 3.41Å; K139-L142 VanDerWaalsContact CB-CD1 3.41Å; K139-L142 HydrophobicContact CB-CD2 4.28Å; K139-L142 HydrophobicContact CB-CG 3.84Å; K139-L142 HydrophobicContact CD-CD1 4.03Å; K139-L142 HydrophobicContact CD-CD2 4.07Å; K139-L142 HydrophobicContact CD-CG 4.47Å; K139-L142 HydrophobicContact CG-CD1 4.36Å; S140-L142 VanDerWaalsContact C-N 3.32Å; S140-L142 PolarHBondContact O-N 2.89Å; L142-L144 VanDerWaalsContact C-N 3.31Å; L142-L144 HydrophobicContact CB-CD2 4.37Å; L142-L144 PolarHBondContact O-N 3.07Å; L142-L144 VanDerWaalsContact O-N 3.1Å; L142-E147 WeakPolarHBondContact CD2-OE1 3.44Å
143D85.2Confident87.7Confident100 Ų10081.1 Ų81.154%0.53541%0.409SS..  trans-81.483.7166.6-169.1-16.5000109.3G141 R145 H146 E147G141-D143 PolarHBondContact O-N 3.1Å; D143-R145 PolarHBondContact O-N 3.1Å; D143-R145 WeakPolarHBondContact OD1-CB 3.43Å; D143-R145 PolarHBondContact OD1-N 3.25Å; D143-H146 HydrophobicContact CB-CB 3.94Å; D143-H146 PolarHBondContact O-N 3.2Å; D143-H146 VanDerWaalsContact O-N 3.1Å; D143-H146 PolarHBondContact OD1-N 3.15Å; D143-H146 VanDerWaalsContact OD1-N 3.07Å; D143-E147 PolarHBondContact O-N 2.92Å
144L82.3Confident87.5Confident18 Ų1883.9 Ų83.99%0.09442%0.418CS..Hα-helixtrans-57.5-31.1-179.8-64.6170.2000112.2E27 L28 W31 L142 R148E27-L144 HydrophobicContact CB-CD1 3.91Å; L28-L144 HydrophobicContact CD2-CD1 3.47Å; L28-L144 VanDerWaalsContact CD2-CD1 3.47Å; L28-L144 HydrophobicContact CD2-CD2 3.86Å; L28-L144 HydrophobicContact CD2-CG 4.32Å; L28-L144 HydrophobicContact CG-CD1 4.04Å; W31-L144 HydrophobicContact CB-CB 4.04Å; L142-L144 VanDerWaalsContact C-N 3.31Å; L142-L144 HydrophobicContact CB-CD2 4.37Å; L142-L144 PolarHBondContact O-N 3.07Å; L142-L144 VanDerWaalsContact O-N 3.1Å; L144-R148 VanDerWaalsContact O-CB 3.32Å; L144-R148 WeakPolarHBondContact O-CB 3.35Å; L144-R148 PolarHBondContact O-N 2.91Å
145R83.1Confident87.1Confident132 Ų13279.6 Ų79.650%0.49840%0.401SS..Hα-helixtrans-66.6-48.7176.5177.9180178-1790.2110.2W31 D143 E147 R148 E149W31-R145 HydrophobicContact CD2-CB 3.91Å; W31-R145 HydrophobicContact CD2-CG 4.11Å; W31-R145 HydrophobicContact CE3-CB 4.36Å; W31-R145 HydrophobicContact CE3-CG 4.15Å; W31-R145 HydrophobicContact CG-CB 4.28Å; W31-R145 HydrophobicContact CH2-CB 4.47Å; W31-R145 HydrophobicContact CH2-CG 3.69Å; W31-R145 HydrophobicContact CZ2-CB 4.02Å; W31-R145 HydrophobicContact CZ2-CG 3.64Å; W31-R145 HydrophobicContact CZ3-CG 3.95Å; D143-R145 PolarHBondContact O-N 3.1Å; D143-R145 WeakPolarHBondContact OD1-CB 3.43Å; D143-R145 PolarHBondContact OD1-N 3.25Å; R145-E147 PolarHBondContact O-N 3.48Å; R145-R148 PolarHBondContact O-N 3.45Å; R145-E149 HydrophobicContact CG-CG 4.43Å; R145-E149 WeakPolarHBondContact CG-OE1 3.34Å; R145-E149 IonicContact CZ-OE1 3.65Å; R145-E149 IonicContact NE-OE1 3.35Å; R145-E149 PolarHBondContact NE-OE1 2.89Å; R145-E149 IonicContact NH2-OE1 2.85Å; R145-E149 PolarHBondContact NH2-OE1 3.43Å; R145-E149 WeakPolarHBondContact O-CB 3.38Å; R145-E149 WeakPolarHBondContact O-CG 3.4Å; R145-E149 PolarHBondContact O-N 2.92Å
146H84Confident86.9Confident104 Ų10486.3 Ų86.348%0.48142%0.42SS..Hα-helixtrans-61-44.5177.6-175.3-83.4000111.8D143 R148 E149 E150D143-H146 HydrophobicContact CB-CB 3.94Å; D143-H146 PolarHBondContact O-N 3.2Å; D143-H146 VanDerWaalsContact O-N 3.1Å; D143-H146 PolarHBondContact OD1-N 3.15Å; D143-H146 VanDerWaalsContact OD1-N 3.07Å; H146-R148 VanDerWaalsContact C-N 3.29Å; H146-R148 PolarHBondContact O-N 2.94Å; H146-E149 PolarHBondContact O-N 3.15Å; H146-E150 IonicContact CE1-OE2 2.7Å; H146-E150 IonicContact ND1-OE2 2.66Å; H146-E150 WeakPolarHBondContact O-CB 3.48Å; H146-E150 PolarHBondContact O-N 2.81Å
147E85.8Confident86.7Confident62 Ų6286 Ų8629%0.2942%0.422SS..Hα-helixtrans-58.7-41.6176.8-70.2-170.1165.800112.2L142 D143 R145 R151L142-E147 WeakPolarHBondContact CD2-OE1 3.44Å; D143-E147 PolarHBondContact O-N 2.92Å; R145-E147 PolarHBondContact O-N 3.48Å; E147-R151 WeakPolarHBondContact O-CB 3.45Å; E147-R151 PolarHBondContact O-N 2.81Å
148R85.2Confident86.5Confident26 Ų2687.7 Ų87.710%0.09843%0.426CS..Hα-helixtrans-65-48.8177.1-17968.9-165.6143.910.1111.8W31 G32 P34 L144 R145 H146 E150 R151 D152W31-R148 HydrophobicContact CB-CB 4.39Å; W31-R148 HydrophobicContact CE3-CB 4.41Å; W31-R148 HydrophobicContact CE3-CG 4.23Å; G32-R148 WeakPolarHBondContact O-CD 3.08Å; G32-R148 PolarHBondContact O-NE 3.49Å; P34-R148 VanDerWaalsContact CD-NH2 3.28Å; L144-R148 VanDerWaalsContact O-CB 3.32Å; L144-R148 WeakPolarHBondContact O-CB 3.35Å; L144-R148 PolarHBondContact O-N 2.91Å; R145-R148 PolarHBondContact O-N 3.45Å; H146-R148 VanDerWaalsContact C-N 3.29Å; H146-R148 PolarHBondContact O-N 2.94Å; R148-E150 VanDerWaalsContact C-N 3.34Å; R148-E150 PolarHBondContact O-N 3.2Å; R148-R151 PolarHBondContact O-N 3.21Å; R148-D152 IonicContact CZ-OD1 2.66Å; R148-D152 IonicContact CZ-OD2 3.76Å; R148-D152 VanDerWaalsContact CZ-OD2 3.27Å; R148-D152 IonicContact NE-OD1 3.73Å; R148-D152 IonicContact NE-OD2 4Å; R148-D152 PolarHBondContact NE-OD2 3.45Å; R148-D152 IonicContact NH1-OD1 2.95Å; R148-D152 PolarHBondContact NH1-OD1 3.34Å; R148-D152 IonicContact NH2-OD1 3.96Å; R148-D152 PolarHBondContact NH2-OD1 3.38Å; R148-D152 IonicContact NH2-OD2 3.97Å; R148-D152 PolarHBondContact NH2-OD2 3.14Å; R148-D152 PolarHBondContact O-N 2.95Å
149E87.3Confident86.3Confident82 Ų8289 Ų8938%0.38343%0.427SS..Hα-helixtrans-63.9-38.9-179.8-72.7179.6-172.500112R145 H146 R153R145-E149 HydrophobicContact CG-CG 4.43Å; R145-E149 WeakPolarHBondContact CG-OE1 3.34Å; R145-E149 IonicContact CZ-OE1 3.65Å; R145-E149 IonicContact NE-OE1 3.35Å; R145-E149 PolarHBondContact NE-OE1 2.89Å; R145-E149 IonicContact NH2-OE1 2.85Å; R145-E149 PolarHBondContact NH2-OE1 3.43Å; R145-E149 WeakPolarHBondContact O-CB 3.38Å; R145-E149 WeakPolarHBondContact O-CG 3.4Å; R145-E149 PolarHBondContact O-N 2.92Å; H146-E149 PolarHBondContact O-N 3.15Å; E149-R153 WeakPolarHBondContact O-CB 3.18Å; E149-R153 PolarHBondContact O-N 3.3Å
150E88.3Confident86.4Confident79 Ų7990.5 Ų90.537%0.36943%0.433SS..Hα-helixtrans-65.6-44.7176.2-170-174.8157.100111.6H146 R148 R153 K154H146-E150 IonicContact CE1-OE2 2.7Å; H146-E150 IonicContact ND1-OE2 2.66Å; H146-E150 WeakPolarHBondContact O-CB 3.48Å; H146-E150 PolarHBondContact O-N 2.81Å; R148-E150 VanDerWaalsContact C-N 3.34Å; R148-E150 PolarHBondContact O-N 3.2Å; E150-R153 WeakPolarHBondContact O-CB 3.28Å; E150-R153 PolarHBondContact O-N 2.89Å; E150-K154 WeakPolarHBondContact O-CG 3.37Å; E150-K154 PolarHBondContact O-N 2.79Å; E150-K154 WeakPolarHBondContact OE1-CE 3.44Å; E150-K154 IonicContact OE1-NZ 3.69Å; E150-K154 PolarHBondContact OE1-NZ 3.14Å
151R86.9Confident86.7Confident29 Ų2992.1 Ų92.111%0.10943%0.432CS..Hα-helixtrans-60.1-49.2175.7-179.7-83.8-171-159.5-17.4110.8W33 E35 E147 R148 R153 K154 E155W33-R151 HydrophobicContact CD2-CG 4.2Å; W33-R151 HydrophobicContact CE3-CG 4.06Å; W33-R151 HydrophobicContact CH2-CB 4.27Å; W33-R151 HydrophobicContact CH2-CG 3.94Å; W33-R151 HydrophobicContact CZ2-CB 4.04Å; W33-R151 HydrophobicContact CZ2-CG 4.07Å; W33-R151 HydrophobicContact CZ3-CG 3.94Å; E35-R151 IonicContact OE1-CZ 3.01Å; E35-R151 IonicContact OE1-NE 3.88Å; E35-R151 IonicContact OE1-NH2 3.27Å; E35-R151 PolarHBondContact OE1-NH2 2.92Å; E35-R151 IonicContact OE2-CZ 3.31Å; E35-R151 IonicContact OE2-NE 3.34Å; E35-R151 IonicContact OE2-NH2 3.58Å; E147-R151 WeakPolarHBondContact O-CB 3.45Å; E147-R151 PolarHBondContact O-N 2.81Å; R148-R151 PolarHBondContact O-N 3.21Å; R151-R153 VanDerWaalsContact C-N 3.26Å; R151-R153 PolarHBondContact O-N 2.85Å; R151-K154 PolarHBondContact O-N 3.37Å; R151-K154 VanDerWaalsContact O-N 3.12Å; R151-E155 IonicContact CZ-OE1 3.61Å; R151-E155 IonicContact CZ-OE2 2.81Å; R151-E155 IonicContact NH1-OE1 2.83Å; R151-E155 PolarHBondContact NH1-OE1 2.77Å; R151-E155 IonicContact NH1-OE2 3.32Å; R151-E155 PolarHBondContact NH1-OE2 2.75Å; R151-E155 VanDerWaalsContact NH2-CD 3.33Å; R151-E155 IonicContact NH2-OE1 3.49Å; R151-E155 PolarHBondContact NH2-OE1 3.02Å; R151-E155 IonicContact NH2-OE2 2.9Å; R151-E155 PolarHBondContact O-N 3.05Å
152D87.2Confident87.2Confident34 Ų3496.3 Ų96.318%0.18242%0.421CS..Hα-helixtrans-65-32.5-179.1-74.5-5.2000111.8R148 R156R148-D152 IonicContact CZ-OD1 2.66Å; R148-D152 IonicContact CZ-OD2 3.76Å; R148-D152 VanDerWaalsContact CZ-OD2 3.27Å; R148-D152 IonicContact NE-OD1 3.73Å; R148-D152 IonicContact NE-OD2 4Å; R148-D152 PolarHBondContact NE-OD2 3.45Å; R148-D152 IonicContact NH1-OD1 2.95Å; R148-D152 PolarHBondContact NH1-OD1 3.34Å; R148-D152 IonicContact NH2-OD1 3.96Å; R148-D152 PolarHBondContact NH2-OD1 3.38Å; R148-D152 IonicContact NH2-OD2 3.97Å; R148-D152 PolarHBondContact NH2-OD2 3.14Å; R148-D152 PolarHBondContact O-N 2.95Å; D152-R156 WeakPolarHBondContact O-CB 3.41Å; D152-R156 WeakPolarHBondContact O-CG 3.37Å; D152-R156 PolarHBondContact O-N 3.25Å
153R88.7Confident87.8Confident170 Ų170102.6 Ų102.664%0.64244%0.442SS*.Hα-helixtrans-64.6-47.1171-170.8-171.3-59.5-128.52.5111.6E149 E150 R151 R156 I157E149-R153 WeakPolarHBondContact O-CB 3.18Å; E149-R153 PolarHBondContact O-N 3.3Å; E150-R153 WeakPolarHBondContact O-CB 3.28Å; E150-R153 PolarHBondContact O-N 2.89Å; R151-R153 VanDerWaalsContact C-N 3.26Å; R151-R153 PolarHBondContact O-N 2.85Å; R153-R156 PolarHBondContact O-N 2.99Å; R153-I157 HydrophobicContact CG-CD1 4.15Å; R153-I157 VanDerWaalsContact O-CG1 3.32Å; R153-I157 WeakPolarHBondContact O-CG1 3.21Å; R153-I157 PolarHBondContact O-N 3.4Å
154K90.1Very high88.1Confident127 Ų127101.6 Ų101.655%0.55243%0.433SS*.Hα-helixtrans-61.8-42.5177.9-73.8176.1-175.8168.40111.6E150 R151 I157 K158E150-K154 WeakPolarHBondContact O-CG 3.37Å; E150-K154 PolarHBondContact O-N 2.79Å; E150-K154 WeakPolarHBondContact OE1-CE 3.44Å; E150-K154 IonicContact OE1-NZ 3.69Å; E150-K154 PolarHBondContact OE1-NZ 3.14Å; R151-K154 PolarHBondContact O-N 3.37Å; R151-K154 VanDerWaalsContact O-N 3.12Å; K154-I157 PolarHBondContact O-N 2.98Å; K154-K158 WeakPolarHBondContact O-CB 3.25Å; K154-K158 PolarHBondContact O-N 3.46Å
155E87.5Confident88.6Confident95 Ų95103.4 Ų103.444%0.44445%0.451SS..Hα-helixtrans-64.4-43.8177.6-168.6-175.9-134.900111.6R151 I157 K158 E159R151-E155 IonicContact CZ-OE1 3.61Å; R151-E155 IonicContact CZ-OE2 2.81Å; R151-E155 IonicContact NH1-OE1 2.83Å; R151-E155 PolarHBondContact NH1-OE1 2.77Å; R151-E155 IonicContact NH1-OE2 3.32Å; R151-E155 PolarHBondContact NH1-OE2 2.75Å; R151-E155 VanDerWaalsContact NH2-CD 3.33Å; R151-E155 IonicContact NH2-OE1 3.49Å; R151-E155 PolarHBondContact NH2-OE1 3.02Å; R151-E155 IonicContact NH2-OE2 2.9Å; R151-E155 PolarHBondContact O-N 3.05Å; E155-I157 VanDerWaalsContact C-N 3.3Å; E155-I157 PolarHBondContact O-N 2.83Å; E155-K158 PolarHBondContact O-N 2.86Å; E155-E159 WeakPolarHBondContact O-CB 3.42Å; E155-E159 PolarHBondContact O-N 3.48Å
156R88.3Confident88.9Confident189 Ų189103.7 Ų103.771%0.71346%0.46SS*.Hα-helixtrans-59.7-40174.7-74172.8-168.3-174.35.7112.6D152 R153 K160D152-R156 WeakPolarHBondContact O-CB 3.41Å; D152-R156 WeakPolarHBondContact O-CG 3.37Å; D152-R156 PolarHBondContact O-N 3.25Å; R153-R156 PolarHBondContact O-N 2.99Å; R156-K160 WeakPolarHBondContact O-CB 3.25Å; R156-K160 PolarHBondContact O-N 3.42Å
157I91.3Very high89.3Confident87 Ų87104.9 Ų104.945%0.44646%0.464SS..Hα-helixtrans-67.1-45.8176.7-68.6166000110.3R153 K154 E155 E159 K160 H161R153-I157 HydrophobicContact CG-CD1 4.15Å; R153-I157 VanDerWaalsContact O-CG1 3.32Å; R153-I157 WeakPolarHBondContact O-CG1 3.21Å; R153-I157 PolarHBondContact O-N 3.4Å; K154-I157 PolarHBondContact O-N 2.98Å; E155-I157 VanDerWaalsContact C-N 3.3Å; E155-I157 PolarHBondContact O-N 2.83Å; I157-E159 VanDerWaalsContact C-N 3.35Å; I157-E159 PolarHBondContact O-N 3.09Å; I157-K160 PolarHBondContact O-N 2.9Å; I157-H161 PolarHBondContact O-CD2 3.48Å; I157-H161 PolarHBondContact O-N 3.49Å
158K89.4Confident89.7Confident137 Ų137108 Ų10860%0.59648%0.476SS*.Hα-helixtrans-59.5-44.6177.2-170.5177.9-179-178.90111.4K154 E155 H161 R162K154-K158 WeakPolarHBondContact O-CB 3.25Å; K154-K158 PolarHBondContact O-N 3.46Å; E155-K158 PolarHBondContact O-N 2.86Å; K158-H161 PolarHBondContact O-N 3.44Å; K158-R162 WeakPolarHBondContact O-CB 3.48Å; K158-R162 PolarHBondContact O-N 2.97Å
159E88.5Confident90Very high102 Ų102113.2 Ų113.248%0.47750%0.502SS..Hα-helixtrans-66.8-40.1178.1-17357.1-155.400111.9E155 I157 H161 R162 R163E155-E159 WeakPolarHBondContact O-CB 3.42Å; E155-E159 PolarHBondContact O-N 3.48Å; I157-E159 VanDerWaalsContact C-N 3.35Å; I157-E159 PolarHBondContact O-N 3.09Å; E159-H161 PolarHBondContact O-N 3.36Å; E159-R162 PolarHBondContact O-N 3.49Å; E159-R162 IonicContact OE2-NH1 3.77Å; E159-R163 WeakPolarHBondContact O-CB 3.36Å; E159-R163 PolarHBondContact O-N 2.99Å
160K91.1Very high90.2Very high118 Ų118113.8 Ų113.851%0.51351%0.507SS..Hα-helixtrans-59.4-48.3173.5-176.7-179.3172.3-175.70111.3R156 I157 R163 E164R156-K160 WeakPolarHBondContact O-CB 3.25Å; R156-K160 PolarHBondContact O-N 3.42Å; I157-K160 PolarHBondContact O-N 2.9Å; K160-R163 PolarHBondContact O-N 3.43Å; K160-E164 WeakPolarHBondContact CE-OE1 3.18Å; K160-E164 IonicContact NZ-OE1 3.36Å; K160-E164 WeakPolarHBondContact O-CG 3.23Å; K160-E164 PolarHBondContact O-N 2.89Å
161H92Very high90.4Very high116 Ų116114.2 Ų114.254%0.53751%0.509SS..Hα-helixtrans-63.4-41177.5-76.9-58.7000112.6I157 K158 E159 R163 E164 A165I157-H161 PolarHBondContact O-CD2 3.48Å; I157-H161 PolarHBondContact O-N 3.49Å; K158-H161 PolarHBondContact O-N 3.44Å; E159-H161 PolarHBondContact O-N 3.36Å; H161-R163 VanDerWaalsContact C-N 3.34Å; H161-R163 PolarHBondContact O-N 3.18Å; H161-E164 PolarHBondContact O-N 3.36Å; H161-A165 WeakPolarHBondContact O-CB 3.22Å; H161-A165 PolarHBondContact O-N 3.05Å
162R90.6Very high90.6Very high174 Ų174118.8 Ų118.866%0.65753%0.532SS*.Hα-helixtrans-60.3-44.2175.9-172.9-176177.6-162.90.8111.5K158 E159 A165 M166K158-R162 WeakPolarHBondContact O-CB 3.48Å; K158-R162 PolarHBondContact O-N 2.97Å; E159-R162 PolarHBondContact O-N 3.49Å; E159-R162 IonicContact OE2-NH1 3.77Å; R162-A165 PolarHBondContact O-N 3.14Å; R162-M166 WeakPolarHBondContact O-CB 3.43Å; R162-M166 PolarHBondContact O-N 2.79Å
163R90.6Very high90.7Very high174 Ų174121.6 Ų121.666%0.65754%0.544SS*.Hα-helixtrans-66.7-40.8177.8-169.7178.267.9153.12.1112.5E159 K160 H161 K167E159-R163 WeakPolarHBondContact O-CB 3.36Å; E159-R163 PolarHBondContact O-N 2.99Å; K160-R163 PolarHBondContact O-N 3.43Å; H161-R163 VanDerWaalsContact C-N 3.34Å; H161-R163 PolarHBondContact O-N 3.18Å; R163-K167 WeakPolarHBondContact O-CB 3.27Å; R163-K167 PolarHBondContact O-N 2.93Å
164E92.7Very high90.8Very high78 Ų78118.3 Ų118.336%0.36454%0.535SS..Hα-helixtrans-66-40.3175.6-74.8174.4-176.300112K160 H161 K167 K168K160-E164 WeakPolarHBondContact CE-OE1 3.18Å; K160-E164 IonicContact NZ-OE1 3.36Å; K160-E164 WeakPolarHBondContact O-CG 3.23Å; K160-E164 PolarHBondContact O-N 2.89Å; H161-E164 PolarHBondContact O-N 3.36Å; E164-K167 PolarHBondContact O-N 2.78Å; E164-K168 WeakPolarHBondContact O-CG 3.2Å; E164-K168 PolarHBondContact O-N 3.36Å
165A91.6Very high90.9Very high57 Ų57119.4 Ų119.447%0.47154%0.536SS..Hα-helixtrans-63.4-48174.800000111.5H161 R162 K167 K168 E169H161-A165 WeakPolarHBondContact O-CB 3.22Å; H161-A165 PolarHBondContact O-N 3.05Å; R162-A165 PolarHBondContact O-N 3.14Å; A165-K167 VanDerWaalsContact C-N 3.3Å; A165-K167 PolarHBondContact O-N 3.22Å; A165-K168 PolarHBondContact O-N 2.86Å; A165-E169 WeakPolarHBondContact O-CB 3.34Å; A165-E169 PolarHBondContact O-N 3.08Å
166M90.8Very high91Very high137 Ų137122.5 Ų122.568%0.67554%0.544SS*.Hα-helixtrans-62-37.2178-168.2-179.5-17500112.2R162 L170R162-M166 WeakPolarHBondContact O-CB 3.43Å; R162-M166 PolarHBondContact O-N 2.79Å; M166-L170 WeakPolarHBondContact O-CB 3.45Å; M166-L170 PolarHBondContact O-N 2.83Å
167K92.5Very high91.1Very high130 Ų130118.5 Ų118.557%0.56553%0.532SS*.Hα-helixtrans-65.9-44.7175.9-176.3177.5169.7-177.80111.7R163 E164 A165 L170 E171R163-K167 WeakPolarHBondContact O-CB 3.27Å; R163-K167 PolarHBondContact O-N 2.93Å; E164-K167 PolarHBondContact O-N 2.78Å; A165-K167 VanDerWaalsContact C-N 3.3Å; A165-K167 PolarHBondContact O-N 3.22Å; K167-L170 PolarHBondContact O-N 2.86Å; K167-E171 WeakPolarHBondContact CE-OE1 3.28Å; K167-E171 IonicContact NZ-OE1 3.71Å; K167-E171 WeakPolarHBondContact O-CG 3.42Å; K167-E171 PolarHBondContact O-N 3.05Å
168K92.2Very high90.9Very high128 Ų128120.5 Ų120.556%0.55754%0.539SS*.Hα-helixtrans-63-43.8176.7-73.1178.1180-1750111.9E164 A165 L170 E171 E172E164-K168 WeakPolarHBondContact O-CG 3.2Å; E164-K168 PolarHBondContact O-N 3.36Å; A165-K168 PolarHBondContact O-N 2.86Å; K168-L170 VanDerWaalsContact C-N 3.33Å; K168-L170 PolarHBondContact O-N 3.38Å; K168-E171 PolarHBondContact O-N 2.94Å; K168-E172 WeakPolarHBondContact O-CB 3.48Å; K168-E172 WeakPolarHBondContact O-CG 3.42Å; K168-E172 PolarHBondContact O-N 3.15Å
169E91.8Very high90.8Very high134 Ų134118.3 Ų118.363%0.62653%0.531SS*.Hα-helixtrans-60.7-42.7177-172.8175.3-167.700111.5A165 E172 E173A165-E169 WeakPolarHBondContact O-CB 3.34Å; A165-E169 PolarHBondContact O-N 3.08Å; E169-E172 PolarHBondContact O-N 3.35Å; E169-E173 WeakPolarHBondContact O-CB 3.15Å; E169-E173 PolarHBondContact O-N 2.91Å
170L92.1Very high90.6Very high94 Ų94117.6 Ų117.649%0.49253%0.527SS..Hα-helixtrans-64.9-42.1176-172.970.6000112.6M166 K167 K168 E173 Q174M166-L170 WeakPolarHBondContact O-CB 3.45Å; M166-L170 PolarHBondContact O-N 2.83Å; K167-L170 PolarHBondContact O-N 2.86Å; K168-L170 VanDerWaalsContact C-N 3.33Å; K168-L170 PolarHBondContact O-N 3.38Å; L170-E173 PolarHBondContact O-N 3.41Å; L170-Q174 WeakPolarHBondContact O-CB 3.11Å; L170-Q174 VanDerWaalsContact O-CG 3.3Å; L170-Q174 WeakPolarHBondContact O-CG 3.33Å; L170-Q174 PolarHBondContact O-N 2.78Å
171E92.1Very high90.3Very high89 Ų89116 Ų11642%0.41653%0.525SS..Hα-helixtrans-65.1-40.3176.8-74.6173.3178.200111.7K167 K168 Q174 R175K167-E171 WeakPolarHBondContact CE-OE1 3.28Å; K167-E171 IonicContact NZ-OE1 3.71Å; K167-E171 WeakPolarHBondContact O-CG 3.42Å; K167-E171 PolarHBondContact O-N 3.05Å; K168-E171 PolarHBondContact O-N 2.94Å; E171-Q174 PolarHBondContact O-N 2.7Å; E171-R175 WeakPolarHBondContact O-CG 3.4Å; E171-R175 PolarHBondContact O-N 3.36Å
172E91Very high89.8Confident125 Ų125119 Ų11958%0.58453%0.531SS*.Hα-helixtrans-66.5-41174.7-74.1176.8-171.800112.1K168 E169 R175 R176K168-E172 WeakPolarHBondContact O-CB 3.48Å; K168-E172 WeakPolarHBondContact O-CG 3.42Å; K168-E172 PolarHBondContact O-N 3.15Å; E169-E172 PolarHBondContact O-N 3.35Å; E172-R175 PolarHBondContact O-N 3.05Å; E172-R176 WeakPolarHBondContact O-CG 3.17Å; E172-R176 PolarHBondContact O-N 3.33Å
173E90.8Very high89.3Confident93 Ų93115.7 Ų115.744%0.43553%0.526SS..Hα-helixtrans-64.8-40.3175.7-164.6-169.9163.200111.8E169 L170 R176 K177E169-E173 WeakPolarHBondContact O-CB 3.15Å; E169-E173 PolarHBondContact O-N 2.91Å; L170-E173 PolarHBondContact O-N 3.41Å; E173-R176 PolarHBondContact O-N 3.48Å; E173-K177 WeakPolarHBondContact O-CG 3.42Å; E173-K177 PolarHBondContact O-N 3.21Å; E173-K177 VanDerWaalsContact OE1-CE 3.22Å; E173-K177 WeakPolarHBondContact OE1-CE 3.14Å; E173-K177 IonicContact OE1-NZ 3.96Å; E173-K177 PolarHBondContact OE1-NZ 3.45Å
174Q90.9Very high88.7Confident100 Ų100115 Ų11547%0.46752%0.523SS..Hα-helixtrans-62.7-47.9174.6-76.7177-9.300111.6L170 E171 R176 K177 E178L170-Q174 WeakPolarHBondContact O-CB 3.11Å; L170-Q174 VanDerWaalsContact O-CG 3.3Å; L170-Q174 WeakPolarHBondContact O-CG 3.33Å; L170-Q174 PolarHBondContact O-N 2.78Å; E171-Q174 PolarHBondContact O-N 2.7Å; Q174-R176 VanDerWaalsContact C-N 3.33Å; Q174-R176 PolarHBondContact O-N 3.28Å; Q174-K177 PolarHBondContact O-N 3.22Å; Q174-E178 WeakPolarHBondContact O-CG 3.21Å; Q174-E178 PolarHBondContact O-N 3.21Å
175R91.5Very high87.7Confident151 Ų151117.3 Ų117.357%0.5753%0.534SS*.Hα-helixtrans-59.4-42176.7-76.4-176.760.6-151.5-10.6112.6E171 E172 E178 E179E171-R175 WeakPolarHBondContact O-CG 3.4Å; E171-R175 PolarHBondContact O-N 3.36Å; E172-R175 PolarHBondContact O-N 3.05Å; R175-E178 PolarHBondContact O-N 3.46Å; R175-E179 IonicContact NH2-OE1 3.21Å; R175-E179 WeakPolarHBondContact O-CG 3.49Å; R175-E179 PolarHBondContact O-N 3.13Å
176R89.7Confident86.6Confident160 Ų160121.2 Ų121.260%0.60454%0.538SS*.Hα-helixtrans-62.4-42.9175.7-76.9-175.461.2-164.1-7.2112.3E172 E173 Q174 E179 E180E172-R176 WeakPolarHBondContact O-CG 3.17Å; E172-R176 PolarHBondContact O-N 3.33Å; E173-R176 PolarHBondContact O-N 3.48Å; Q174-R176 VanDerWaalsContact C-N 3.33Å; Q174-R176 PolarHBondContact O-N 3.28Å; R176-E179 PolarHBondContact O-N 3.12Å; R176-E180 IonicContact NH2-OE1 3.47Å; R176-E180 WeakPolarHBondContact O-CB 3.23Å; R176-E180 WeakPolarHBondContact O-CG 3.46Å; R176-E180 PolarHBondContact O-N 2.83Å
177K90.2Very high85.4Confident105 Ų105121.5 Ų121.546%0.45754%0.537SS..Hα-helixtrans-63.7-40.2176.3-74.1172.4-176.6167.10112.1E173 Q174 N181E173-K177 WeakPolarHBondContact O-CG 3.42Å; E173-K177 PolarHBondContact O-N 3.21Å; E173-K177 VanDerWaalsContact OE1-CE 3.22Å; E173-K177 WeakPolarHBondContact OE1-CE 3.14Å; E173-K177 IonicContact OE1-NZ 3.96Å; E173-K177 PolarHBondContact OE1-NZ 3.45Å; Q174-K177 PolarHBondContact O-N 3.22Å; K177-N181 VanDerWaalsContact O-CB 3.29Å; K177-N181 WeakPolarHBondContact O-CB 3.02Å; K177-N181 PolarHBondContact O-N 3.15Å; K177-N181 PolarHBondContact O-ND2 3.4Å
178E87.7Confident84Confident128 Ų128119.7 Ų119.760%0.59853%0.534SS*.Hα-helixtrans-64.6-43.9175.9-72.5174.6-176.200111.9Q174 R175 N181 R182Q174-E178 WeakPolarHBondContact O-CG 3.21Å; Q174-E178 PolarHBondContact O-N 3.21Å; R175-E178 PolarHBondContact O-N 3.46Å; E178-N181 PolarHBondContact O-N 3.32Å; E178-R182 VanDerWaalsContact O-CB 3.3Å; E178-R182 WeakPolarHBondContact O-CB 3.36Å; E178-R182 PolarHBondContact O-N 2.83Å
179E86Confident82.5Confident91 Ų91118.9 Ų118.943%0.42554%0.535SS..Hα-helixtrans-64.4-43.5176.4-73173.6-169.800111.8R175 R176 R182 L183R175-E179 IonicContact NH2-OE1 3.21Å; R175-E179 WeakPolarHBondContact O-CG 3.49Å; R175-E179 PolarHBondContact O-N 3.13Å; R176-E179 PolarHBondContact O-N 3.12Å; E179-R182 PolarHBondContact O-N 3.39Å; E179-L183 WeakPolarHBondContact O-CB 2.99Å; E179-L183 WeakPolarHBondContact O-CG 3.36Å; E179-L183 PolarHBondContact O-N 2.75Å
180E85.5Confident81.1Confident87 Ų87117.6 Ų117.641%0.40753%0.527SS..Hα-helixtrans-63.6-44.3175.1-75.6176.1-164.500112R176 R182 L183 R184R176-E180 IonicContact NH2-OE1 3.47Å; R176-E180 WeakPolarHBondContact O-CB 3.23Å; R176-E180 WeakPolarHBondContact O-CG 3.46Å; R176-E180 PolarHBondContact O-N 2.83Å; E180-R182 VanDerWaalsContact C-N 3.35Å; E180-L183 PolarHBondContact O-N 3.3Å; E180-R184 WeakPolarHBondContact O-CG 3.39Å; E180-R184 PolarHBondContact O-N 3.39Å
181N84Confident79.6Confident85 Ų85115.2 Ų115.246%0.45552%0.517SS..Hα-helixtrans-63.8-40.9176-74.6-18.6000111.6K177 E178 R184 H185K177-N181 VanDerWaalsContact O-CB 3.29Å; K177-N181 WeakPolarHBondContact O-CB 3.02Å; K177-N181 PolarHBondContact O-N 3.15Å; K177-N181 PolarHBondContact O-ND2 3.4Å; E178-N181 PolarHBondContact O-N 3.32Å; N181-R184 PolarHBondContact O-N 3.42Å; N181-H185 WeakPolarHBondContact O-CB 3.38Å; N181-H185 PolarHBondContact O-CD2 3.49Å; N181-H185 PolarHBondContact O-N 3.1Å
182R81.7Confident78.2Confident179 Ų179116.5 Ų116.568%0.67553%0.533SS*.Hα-helixtrans-63.6-42.5176.8-168.6-178.171.6-179.70.5111.2E178 E179 E180 Y186E178-R182 VanDerWaalsContact O-CB 3.3Å; E178-R182 WeakPolarHBondContact O-CB 3.36Å; E178-R182 PolarHBondContact O-N 2.83Å; E179-R182 PolarHBondContact O-N 3.39Å; E180-R182 VanDerWaalsContact C-N 3.35Å; R182-Y186 VanDerWaalsContact O-CB 3.26Å; R182-Y186 WeakPolarHBondContact O-CB 3.31Å; R182-Y186 PolarHBondContact O-N 3.33Å
183L80.6Confident76.8Confident105 Ų105119.1 Ų119.155%0.5555%0.545SS..Hα-helixtrans-64.9-43.8176.7-75166.4000111.9E179 E180 Y186 E187E179-L183 WeakPolarHBondContact O-CB 2.99Å; E179-L183 WeakPolarHBondContact O-CG 3.36Å; E179-L183 PolarHBondContact O-N 2.75Å; E180-L183 PolarHBondContact O-N 3.3Å; L183-Y186 PolarHBondContact O-N 3.38Å; L183-E187 PolarHBondContact O-N 2.86Å
184R77.1Confident75.2Confident158 Ų158119.3 Ų119.360%0.59655%0.549SS*.Hα-helixtrans-59.9-49.1175.5-73.5177.6-175.9-157.63.3112.3E180 N181 Y186 E187 D188E180-R184 WeakPolarHBondContact O-CG 3.39Å; E180-R184 PolarHBondContact O-N 3.39Å; N181-R184 PolarHBondContact O-N 3.42Å; R184-Y186 VanDerWaalsContact C-N 3.27Å; R184-Y186 PolarHBondContact O-N 3.28Å; R184-E187 PolarHBondContact O-N 2.82Å; R184-D188 PolarHBondContact O-N 2.85Å
185H71.1Confident73.7Confident127 Ų127119.6 Ų119.659%0.58855%0.552SS**Hα-helixtrans-65-31.6176.5-74-50.4000112.7N181 D188 L189N181-H185 WeakPolarHBondContact O-CB 3.38Å; N181-H185 PolarHBondContact O-CD2 3.49Å; N181-H185 PolarHBondContact O-N 3.1Å; H185-D188 IonicContact ND1-OD2 2.8Å; H185-L189 WeakPolarHBondContact O-CG 3.48Å; H185-L189 PolarHBondContact O-N 3.35Å
186Y70.1Confident72.1Confident140 Ų140119.3 Ų119.355%0.54957%0.567SS.*Hα-helixtrans-68.3-42.3174-162.5-103.5000111.2R182 L183 R184 D188 L189 F190R182-Y186 VanDerWaalsContact O-CB 3.26Å; R182-Y186 WeakPolarHBondContact O-CB 3.31Å; R182-Y186 PolarHBondContact O-N 3.33Å; L183-Y186 PolarHBondContact O-N 3.38Å; R184-Y186 VanDerWaalsContact C-N 3.27Å; R184-Y186 PolarHBondContact O-N 3.28Å; Y186-D188 VanDerWaalsContact C-N 3.35Å; Y186-D188 PolarHBondContact O-N 2.91Å; Y186-L189 WeakPolarHBondContact O-CB 3.47Å; Y186-L189 PolarHBondContact O-N 3.07Å; Y186-F190 HydrophobicContact CD1-CD2 4.18Å; Y186-F190 AromaticContact CD1-CE2 3.78Å; Y186-F190 HydrophobicContact CD1-CE2 3.78Å; Y186-F190 HydrophobicContact CD2-CE2 4.46Å; Y186-F190 HydrophobicContact CE1-CD2 4.1Å; Y186-F190 AromaticContact CE1-CE2 3.32Å; Y186-F190 HydrophobicContact CE1-CE2 3.32Å; Y186-F190 HydrophobicContact CE1-CZ 4.11Å; Y186-F190 HydrophobicContact CE2-CE2 4.06Å; Y186-F190 HydrophobicContact CG-CE2 4.33Å; Y186-F190 AromaticContact CZ-CE2 3.47Å; Y186-F190 VanDerWaalsContact CZ-CE2 3.47Å; Y186-F190 AromaticContact CZ-CZ 3.98Å; Y186-F190 VanDerWaalsContact O-CD2 3.22Å; Y186-F190 WeakPolarHBondContact O-CD2 3.16Å
187E64Low70.3Confident143 Ų143116.8 Ų116.867%0.66857%0.573SS**Hα-helixtrans-62.1-38.6173.8-75.5-177.6172.700112.6L183 R184 L189 F190 T191L183-E187 PolarHBondContact O-N 2.86Å; R184-E187 PolarHBondContact O-N 2.82Å; E187-L189 PolarHBondContact O-N 2.93Å; E187-F190 CarbonylContact O-C 3.5Å; E187-F190 PolarHBondContact O-N 3.45Å; E187-T191 PolarHBondContact O-N 3.16Å
188D64Low68.3Low91 Ų91117.1 Ų117.149%0.48758%0.584SS.*Hα-helixtrans-60.5-30.8176.4-70.2-27.2000112.8R184 H185 Y186 F190 T191 N194R184-D188 PolarHBondContact O-N 2.85Å; H185-D188 IonicContact ND1-OD2 2.8Å; Y186-D188 VanDerWaalsContact C-N 3.35Å; Y186-D188 PolarHBondContact O-N 2.91Å; D188-F190 VanDerWaalsContact C-N 3.29Å; D188-F190 PolarHBondContact O-N 2.76Å; D188-T191 WeakPolarHBondContact O-CG2 3.31Å; D188-T191 PolarHBondContact O-N 2.75Å; D188-T191 PolarHBondContact O-OG1 3.25Å; D188-N194 PolarHBondContact O-ND2 3.43Å; D188-N194 VanDerWaalsContact O-ND2 3.15Å
189L60.1Low66.6Low112 Ų112119.1 Ų119.159%0.58660%0.599SS**Hα-helixtrans-69.4-25.7175-69.1168.7000112.7H185 Y186 E187H185-L189 WeakPolarHBondContact O-CG 3.48Å; H185-L189 PolarHBondContact O-N 3.35Å; Y186-L189 WeakPolarHBondContact O-CB 3.47Å; Y186-L189 PolarHBondContact O-N 3.07Å; E187-L189 PolarHBondContact O-N 2.93Å
190F63.5Low65Low106 Ų106123.4 Ų123.447%0.46562%0.616SS.*THydrogen-bonded Turntrans-98.921178-66.5-80.8000113.2Y186 E187 D188 M195Y186-F190 HydrophobicContact CD1-CD2 4.18Å; Y186-F190 AromaticContact CD1-CE2 3.78Å; Y186-F190 HydrophobicContact CD1-CE2 3.78Å; Y186-F190 HydrophobicContact CD2-CE2 4.46Å; Y186-F190 HydrophobicContact CE1-CD2 4.1Å; Y186-F190 AromaticContact CE1-CE2 3.32Å; Y186-F190 HydrophobicContact CE1-CE2 3.32Å; Y186-F190 HydrophobicContact CE1-CZ 4.11Å; Y186-F190 HydrophobicContact CE2-CE2 4.06Å; Y186-F190 HydrophobicContact CG-CE2 4.33Å; Y186-F190 AromaticContact CZ-CE2 3.47Å; Y186-F190 VanDerWaalsContact CZ-CE2 3.47Å; Y186-F190 AromaticContact CZ-CZ 3.98Å; Y186-F190 VanDerWaalsContact O-CD2 3.22Å; Y186-F190 WeakPolarHBondContact O-CD2 3.16Å; E187-F190 CarbonylContact O-C 3.5Å; E187-F190 PolarHBondContact O-N 3.45Å; D188-F190 VanDerWaalsContact C-N 3.29Å; D188-F190 PolarHBondContact O-N 2.76Å; F190-M195 HydrophobicContact CD1-CE 4.37Å
191T60.9Low63.2Low45 Ų45126.9 Ų126.928%0.27664%0.638SS.*SBendtrans-67.3137.6165.451.10000109.3E187 D188 E193 N194 M195E187-T191 PolarHBondContact O-N 3.16Å; D188-T191 WeakPolarHBondContact O-CG2 3.31Å; D188-T191 PolarHBondContact O-N 2.75Å; D188-T191 PolarHBondContact O-OG1 3.25Å; T191-E193 PolarHBondContact O-N 3.29Å; T191-N194 WeakPolarHBondContact O-CA 3.31Å; T191-N194 PolarHBondContact O-N 3.44Å; T191-N194 PolarHBondContact OG1-ND2 2.93Å; T191-M195 WeakPolarHBondContact O-CG 3.49Å; T191-M195 PolarHBondContact O-N 2.71Å
192P61.7Low61.3Low115 Ų115126.8 Ų126.875%0.74766%0.657SS**THydrogen-bonded Turntrans-59.6-20.7-176.820.7-31000113.3
193E61.5Low59.6Low181 Ų181121.8 Ų121.885%0.84666%0.661SS**THydrogen-bonded Turntrans-67.5-35.1171.5-66.9171.7177.600112.6T191T191-E193 PolarHBondContact O-N 3.29Å
194N56.5Low58Low97 Ų97121.9 Ų121.952%0.51967%0.67SS.*THydrogen-bonded Turntrans-93.4-14.6178.3-72.1-21.2000113.4D188 T191 V196D188-N194 PolarHBondContact O-ND2 3.43Å; D188-N194 VanDerWaalsContact O-ND2 3.15Å; T191-N194 WeakPolarHBondContact O-CA 3.31Å; T191-N194 PolarHBondContact O-N 3.44Å; T191-N194 PolarHBondContact OG1-ND2 2.93Å; N194-V196 VanDerWaalsContact C-N 3.35Å; N194-V196 PolarHBondContact O-N 2.77Å
195M59.9Low56.6Low106 Ų106122.4 Ų122.452%0.52269%0.685SS.*  trans-73.288.2174.7-68-170.282.500110.3F190 T191 S197F190-M195 HydrophobicContact CD1-CE 4.37Å; T191-M195 WeakPolarHBondContact O-CG 3.49Å; T191-M195 PolarHBondContact O-N 2.71Å; M195-S197 PolarHBondContact O-N 3.24Å
196V57.9Low55.6Low145 Ų145120 Ų12088%0.87968%0.683SS**  trans-62.7105166.5-164.10000107.1N194 T198N194-V196 VanDerWaalsContact C-N 3.35Å; N194-V196 PolarHBondContact O-N 2.77Å; V196-T198 PolarHBondContact O-N 3.4Å
197S52.2Low54.5Low106 Ų106120.7 Ų120.774%0.74170%0.696SS**  trans-69.1106.9-175.519.90000109.9M195M195-S197 PolarHBondContact O-N 3.24Å
198T47.6Very low53.8Low112 Ų112119.9 Ų119.969%0.68770%0.696SS**  trans83.7108.2144.2-37.10000116.7V196 K200V196-T198 PolarHBondContact O-N 3.4Å; T198-K200 HydrophobicContact CG2-CG 4.44Å; T198-K200 PolarHBondContact O-N 3.13Å
199N53.5Low53.2Low171 Ų171125.6 Ų125.691%0.91472%0.717SS**  trans-54.258.5164.6-66.9-14000114.2
200K52.1Low52.9Low181 Ų181130.8 Ų130.879%0.78774%0.74SS**  trans-92.7-11.7164.7-86.8-167.6174.2-177.60113.8T198T198-K200 HydrophobicContact CG2-CG 4.44Å; T198-K200 PolarHBondContact O-N 3.13Å
201D47.3Very low52.4Low160 Ų160132 Ų13286%0.85675%0.754SS**SBendtrans-132.3116-179.7-69.2-47.8000111.5
202G43Very low51.9Low83 Ų83136.6 Ų136.686%0.85678%0.779SS**SBendtrans112.394.9148.400000116.8
203G45.9Very low51.4Low73 Ų73137.8 Ų137.875%0.75378%0.781SS**  trans93.678.2146.100000115.5D205G203-D205 PolarHBondContact O-N 3.4Å
204S47.4Very low50.8Low107 Ų107135.2 Ų135.275%0.74878%0.777SS**  trans-58.389150.2-179.20000108S206S204-S206 PolarHBondContact O-N 2.67Å; S204-S206 PolarHBondContact OG-OG 2.93Å
205D48.9Very low50.4Low170 Ų170137.6 Ų137.691%0.90979%0.794SS**  trans-81.364.1172.5-144.421.2000108G203G203-D205 PolarHBondContact O-N 3.4Å
206S49.6Very low49.8Very low77 Ų77139.7 Ų139.754%0.53881%0.812SS.*  trans-98.194.1165.955.50000106.1S204S204-S206 PolarHBondContact O-N 2.67Å; S204-S206 PolarHBondContact OG-OG 2.93Å
207D46.9Very low49.2Very low154 Ų154139.4 Ų139.482%0.82481%0.807SS**  trans177.6151.1140.9-93.8-22000112.1
208D50.3Low49Very low126 Ų126141.9 Ų141.967%0.67481%0.812SS**  trans78.875.9165.9-89.44.4000118.9
209F50.2Low49.1Very low210 Ų210144.4 Ų144.492%0.92182%0.822SS**  trans-125.989.1137.6-158.5-95.6000109.2
210M53.7Low48.7Very low221 Ų221142 Ų142100%1.08981%0.814SS**  trans-74.10163.2-65.9-168.3-146.900110.9

Retrieved 210 of 210 residues in 120.6 ms (Link to these results)

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