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Branched-chain-amino-acid aminotransferase-like protein 2

AlphaFold DB , UniProt , Accession Q9ASR4, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene n/a, Length 559 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
1M91.4Very high95.9Very high94 Ų9424.6 Ų24.646%0.46312%0.115SC..  0134.90175.7-167.672.200106.7V3 K75 R77M1-V3 HydrophobicContact CE-CG2 4.1Å; M1-K75 CarbonylContact C-O 3.52Å; M1-K75 WeakPolarHBondContact CA-O 3.35Å; M1-K75 WeakPolarHBondContact CG-O 3.04Å; M1-R77 HydrophobicContact CE-CB 3.89Å; M1-R77 HydrophobicContact CG-CB 4.23Å; M1-R77 HydrophobicContact SD-CB 3.6Å; M1-R77 VanDerWaalsContact SD-CB 3.6Å; M1-R77 VanDerWaalsContact SD-CZ 3.53Å
2E95.4Very high95.7Very high82 Ų8222.6 Ų22.638%0.38311%0.105SC..EExtended strand (participates in β ladder)trans-100.1131.3179-70.3174.5-112.300110K75 Y76 R77 K99E2-K75 PolarHBondContact N-O 3.29Å; E2-Y76 HydrophobicContact CB-CD1 3.71Å; E2-Y76 HydrophobicContact CB-CE1 3.93Å; E2-Y76 HydrophobicContact CG-CE1 4.44Å; E2-Y76 CarbonylContact O-C 3.58Å; E2-Y76 WeakPolarHBondContact O-CA 3.23Å; E2-R77 PolarHBondContact O-N 3.05Å; E2-K99 WeakPolarHBondContact OE2-CE 3.25Å
3V97.9Very high95.5Very high2 Ų223.2 Ų23.21%0.01211%0.109CC..EExtended strand (participates in β ladder)trans-91.9137.6179.7-174.10000110.1M1 H5 I68 Y69 R77 G98 K99M1-V3 HydrophobicContact CE-CG2 4.1Å; V3-H5 WeakPolarHBondContact CG1-NE2 3.37Å; V3-I68 HydrophobicContact CG1-CG2 3.9Å; V3-I68 HydrophobicContact CG2-CG2 4.44Å; V3-I68 WeakPolarHBondContact CG2-O 3.28Å; V3-Y69 HydrophobicContact CB-CD1 4.38Å; V3-Y69 HydrophobicContact CB-CE1 3.83Å; V3-Y69 HydrophobicContact CG2-CD1 3.51Å; V3-Y69 HydrophobicContact CG2-CE1 3.48Å; V3-Y69 VanDerWaalsContact CG2-CE1 3.48Å; V3-Y69 HydrophobicContact CG2-CG 4.4Å; V3-R77 CarbonylContact C-O 3.48Å; V3-R77 WeakPolarHBondContact CA-O 3.25Å; V3-G98 CarbonylContact O-C 3.51Å; V3-G98 WeakPolarHBondContact O-CA 3.44Å; V3-K99 PolarHBondContact O-N 2.8Å
4I98.4Very high95.6Very high0 Ų022.1 Ų22.10%011%0.105CC..EExtended strand (participates in β ladder)trans-115.3116.6174.3-57.4176.3000107.9F21 I27 Y76 R77 F78 C79 K99 F101 L167 I169I4-F21 HydrophobicContact CD1-CE1 4.49Å; I4-I27 HydrophobicContact CD1-CD1 4.04Å; I4-Y76 HydrophobicContact CD1-CD1 4.23Å; I4-Y76 HydrophobicContact CD1-CG 4.45Å; I4-R77 PolarHBondContact N-O 3.19Å; I4-F78 HydrophobicContact CB-CD2 4.49Å; I4-F78 HydrophobicContact CG2-CD2 4.18Å; I4-F78 CarbonylContact O-C 3.53Å; I4-F78 WeakPolarHBondContact O-CA 3.01Å; I4-C79 PolarHBondContact O-N 2.84Å; I4-K99 CarbonylContact C-O 3.57Å; I4-K99 WeakPolarHBondContact CA-O 3.42Å; I4-K99 HydrophobicContact CG1-CB 4.44Å; I4-F101 HydrophobicContact CG2-CD1 4.07Å; I4-F101 HydrophobicContact CG2-CE1 3.9Å; I4-L167 HydrophobicContact CG2-CD1 3.91Å; I4-L167 HydrophobicContact CG2-CD2 4.35Å; I4-I169 HydrophobicContact CD1-CD1 3.88Å; I4-I169 HydrophobicContact CD1-CG2 4.32Å
5H98.5Very high95.6Very high0 Ų021.9 Ų21.90%011%0.106CC..EExtended strand (participates in β ladder)trans-98.2116.3179.8-66.9-93.1000110.6V3 Y69 H81 K99 H100 F101V3-H5 WeakPolarHBondContact CG1-NE2 3.37Å; H5-Y69 AromaticContact NE2-CZ 3.86Å; H5-Y69 PolarHBondContact NE2-OH 3.4Å; H5-H81 AromaticContact CE1-NE2 3.81Å; H5-H81 AromaticContact ND1-CD2 3.51Å; H5-H81 AromaticContact ND1-NE2 3.06Å; H5-H81 PolarHBondContact ND1-NE2 3.03Å; H5-K99 PolarHBondContact N-O 2.91Å; H5-H100 WeakPolarHBondContact CB-ND1 3.48Å; H5-H100 AromaticContact CD2-CE1 3.41Å; H5-H100 PolarHBondContact CD2-CE1 2.69Å; H5-H100 VanDerWaalsContact CD2-CE1 3.41Å; H5-H100 AromaticContact CD2-ND1 3.87Å; H5-H100 AromaticContact CD2-NE2 3.98Å; H5-H100 AromaticContact CG-CE1 3.46Å; H5-H100 VanDerWaalsContact CG-CE1 3.46Å; H5-H100 AromaticContact CG-ND1 3.62Å; H5-F101 PolarHBondContact O-N 2.64Å
6A98.5Very high95.6Very high4 Ų421.8 Ų21.83%0.03311%0.107CC..EExtended strand (participates in β ladder)trans-100.3100.2174.900000110F78 C79 H81 F101A6-F78 HydrophobicContact CB-CE1 4.02Å; A6-F78 HydrophobicContact CB-CE2 3.65Å; A6-F78 HydrophobicContact CB-CZ 3.31Å; A6-C79 PolarHBondContact N-O 2.84Å; A6-H81 PolarHBondContact O-N 3.4Å; A6-H81 VanDerWaalsContact O-O 3.13Å; A6-F101 HydrophobicContact CB-CD1 4.38Å; A6-F101 HydrophobicContact CB-CE1 3.47Å; A6-F101 VanDerWaalsContact CB-CE1 3.47Å; A6-F101 HydrophobicContact CB-CE2 3.9Å; A6-F101 HydrophobicContact CB-CZ 3.18Å
7W98.5Very high95.7Very high0 Ų020.6 Ų20.60%010%0.101CC..EExtended strand (participates in β ladder)trans-90.6129.1179.4-62.3107.7000111L34 H81 R86 L94 M95 H100 F101 I102 L103 L130 I133W7-L34 HydrophobicContact CH2-CD1 4.39Å; W7-H81 HydrophobicContact CD2-CB 3.93Å; W7-H81 HydrophobicContact CE3-CB 3.24Å; W7-H81 AromaticContact CE3-CG 3.89Å; W7-H81 HydrophobicContact CH2-CB 4.13Å; W7-H81 AromaticContact CH2-CG 3.88Å; W7-H81 HydrophobicContact CZ3-CB 3.37Å; W7-H81 AromaticContact CZ3-CG 3.63Å; W7-R86 HydrophobicContact CH2-CB 4.3Å; W7-R86 HydrophobicContact CH2-CG 4.39Å; W7-R86 HydrophobicContact CZ3-CB 4.01Å; W7-L94 HydrophobicContact CH2-CD1 4.32Å; W7-L94 HydrophobicContact CH2-CD2 4.24Å; W7-L94 HydrophobicContact CH2-CG 4.32Å; W7-L94 HydrophobicContact CZ2-CD1 4.32Å; W7-L94 HydrophobicContact CZ2-CG 4.34Å; W7-M95 HydrophobicContact CH2-SD 4.5Å; W7-M95 HydrophobicContact CZ2-SD 3.82Å; W7-H100 AromaticContact CD1-ND1 3.9Å; W7-H100 AromaticContact NE1-CE1 3.92Å; W7-H100 AromaticContact NE1-ND1 3.11Å; W7-H100 PolarHBondContact NE1-ND1 2.61Å; W7-H100 VanDerWaalsContact NE1-ND1 3.11Å; W7-F101 PolarHBondContact N-O 2.74Å; W7-I102 HydrophobicContact CB-CG1 4.21Å; W7-I102 CarbonylContact O-C 3.56Å; W7-I102 WeakPolarHBondContact O-CA 3.35Å; W7-L103 PolarHBondContact O-N 2.75Å; W7-L130 HydrophobicContact CB-CD2 3.92Å; W7-I133 HydrophobicContact CB-CD1 4.35Å; W7-I133 HydrophobicContact CB-CG2 4.39Å; W7-I133 HydrophobicContact CD2-CD1 3.75Å; W7-I133 HydrophobicContact CD2-CG2 4.28Å; W7-I133 HydrophobicContact CE3-CD1 3.55Å; W7-I133 HydrophobicContact CG-CD1 4.11Å; W7-I133 HydrophobicContact CG-CG2 3.9Å; W7-I133 HydrophobicContact CZ3-CD1 4.12Å
8S98Very high95.8Very high1 Ų119.4 Ų19.41%0.00710%0.096CC..EExtended strand (participates in β ladder)trans-148.1159.9-178.264.70000113.1S14 H81 I82 S83S8-S14 WeakPolarHBondContact OG-CB 3.47Å; S8-S14 PolarHBondContact OG-OG 3.05Å; S8-S14 VanDerWaalsContact OG-OG 3.14Å; S8-H81 PolarHBondContact N-O 2.8Å; S8-H81 PolarHBondContact OG-O 2.77Å; S8-H81 VanDerWaalsContact OG-O 3.11Å; S8-I82 CarbonylContact O-C 3.42Å; S8-I82 WeakPolarHBondContact O-CA 3.44Å; S8-S83 PolarHBondContact O-N 2.9Å; S8-S83 PolarHBondContact O-OG 2.88Å
9A95.1Very high95.9Very high0 Ų018.4 Ų18.40%09%0.091CC..  trans-80.8155.7161.900000109.7S12 I110 L125 L127 L130A9-S12 WeakPolarHBondContact O-CB 3.31Å; A9-S12 PolarHBondContact O-N 2.71Å; A9-S12 PolarHBondContact O-OG 3.11Å; A9-I110 HydrophobicContact CB-CD1 4.5Å; A9-L125 WeakPolarHBondContact CB-O 3.34Å; A9-L127 HydrophobicContact CB-CD2 4.32Å; A9-L130 HydrophobicContact CB-CD1 4.09Å
10P92.3Very high96Very high11 Ų1117.5 Ų17.57%0.0719%0.086CC..THydrogen-bonded Turntrans-52.9150.3171.4-24.635000112.4S12 I82 F114 L125P10-S12 PolarHBondContact O-N 2.81Å; P10-S12 VanDerWaalsContact O-N 3.12Å; P10-I82 HydrophobicContact CG-CG2 3.79Å; P10-F114 HydrophobicContact CB-CD2 3.86Å; P10-F114 HydrophobicContact CB-CE2 3.52Å; P10-F114 HydrophobicContact CG-CE2 3.98Å; P10-L125 VanDerWaalsContact CD-O 3.3Å; P10-L125 WeakPolarHBondContact CD-O 3.31Å
11R91Very high96.1Very high77 Ų7716.7 Ų16.729%0.2918%0.082SC..THydrogen-bonded Turntrans59.120.3179-53.2-66.5-61.7167.31.2114.8L13 R105 I110 S113 F114R11-L13 VanDerWaalsContact C-N 3.29Å; R11-L13 PolarHBondContact O-N 3.44Å; R11-R105 WeakPolarHBondContact O-CD 3.38Å; R11-R105 PolarHBondContact O-NH1 3.15Å; R11-I110 HydrophobicContact CB-CG2 4.21Å; R11-S113 PolarHBondContact NE-OG 3.35Å; R11-S113 VanDerWaalsContact NE-OG 3.16Å; R11-F114 HydrophobicContact CG-CB 4.2Å; R11-F114 HydrophobicContact CG-CD2 3.84Å
12S93.2Very high96.4Very high0 Ų013.6 Ų13.60%07%0.072CC..SBendtrans-89.917.9174.4-51.90000113.7A9 P10 S14 L103 A149A9-S12 WeakPolarHBondContact O-CB 3.31Å; A9-S12 PolarHBondContact O-N 2.71Å; A9-S12 PolarHBondContact O-OG 3.11Å; P10-S12 PolarHBondContact O-N 2.81Å; P10-S12 VanDerWaalsContact O-N 3.12Å; S12-S14 PolarHBondContact O-N 2.87Å; S12-L103 WeakPolarHBondContact O-CD2 3.27Å; S12-L103 WeakPolarHBondContact O-CG 3.48Å; S12-A149 VanDerWaalsContact O-CB 3.23Å; S12-A149 WeakPolarHBondContact O-CB 3.43Å
13L93.8Very high96.5Very high30 Ų3012.5 Ų12.516%0.1577%0.067CC..SBendtrans65.620.1-174.1-49.2173.3000115R11 T15 T16 L17 A149 Q153R11-L13 VanDerWaalsContact C-N 3.29Å; R11-L13 PolarHBondContact O-N 3.44Å; L13-T15 VanDerWaalsContact C-N 3.31Å; L13-T15 PolarHBondContact O-N 2.91Å; L13-T16 WeakPolarHBondContact O-CB 3.31Å; L13-T16 PolarHBondContact O-N 3.18Å; L13-T16 VanDerWaalsContact O-N 3.14Å; L13-L17 PolarHBondContact O-N 3.35Å; L13-A149 HydrophobicContact CB-CB 4.48Å; L13-A149 HydrophobicContact CD1-CB 3.95Å; L13-A149 HydrophobicContact CG-CB 4.23Å; L13-Q153 HydrophobicContact CD1-CG 3.19Å
14S95.8Very high96.5Very high8 Ų812.8 Ų12.86%0.0567%0.067CC..Hα-helixtrans-61.3-36.7178.749.90000113.2S8 S12 L17 M18 K80S8-S14 WeakPolarHBondContact OG-CB 3.47Å; S8-S14 PolarHBondContact OG-OG 3.05Å; S8-S14 VanDerWaalsContact OG-OG 3.14Å; S12-S14 PolarHBondContact O-N 2.87Å; S14-L17 PolarHBondContact O-N 3.19Å; S14-M18 PolarHBondContact O-N 3.4Å; S14-K80 WeakPolarHBondContact OG-CE 3.22Å
15T95.8Very high96.5Very high19 Ų1918 Ų1812%0.11710%0.096CC..Hα-helixtrans-67.2-39174.3-39.10000112.1L13 L17 M18 Y19 K80 Y194 L197L13-T15 VanDerWaalsContact C-N 3.31Å; L13-T15 PolarHBondContact O-N 2.91Å; T15-L17 VanDerWaalsContact C-N 3.27Å; T15-L17 PolarHBondContact O-N 3.37Å; T15-M18 HydrophobicContact CG2-CE 3.94Å; T15-M18 WeakPolarHBondContact O-CB 3.26Å; T15-M18 PolarHBondContact O-N 3.01Å; T15-Y19 HydrophobicContact CG2-CD2 4.33Å; T15-Y19 HydrophobicContact CG2-CE2 4.28Å; T15-Y19 WeakPolarHBondContact O-CD2 3.22Å; T15-Y19 PolarHBondContact O-N 3.1Å; T15-K80 VanDerWaalsContact OG1-CE 3.27Å; T15-K80 WeakPolarHBondContact OG1-CE 3.5Å; T15-Y194 HydrophobicContact CG2-CD1 3.79Å; T15-Y194 HydrophobicContact CG2-CD2 3.68Å; T15-Y194 HydrophobicContact CG2-CE1 3.58Å; T15-Y194 HydrophobicContact CG2-CE2 3.44Å; T15-Y194 VanDerWaalsContact CG2-CE2 3.44Å; T15-Y194 HydrophobicContact CG2-CG 3.89Å; T15-Y194 VanDerWaalsContact CG2-CZ 3.4Å; T15-Y194 WeakPolarHBondContact OG1-CE1 3.49Å; T15-L197 HydrophobicContact CG2-CD2 3.25Å
16T96.5Very high96.4Very high21 Ų2119.3 Ų19.313%0.12910%0.102CC..Hα-helixtrans-60.3-40.8173-52.80000111L13 Y19 S20 W178 L197 F203L13-T16 WeakPolarHBondContact O-CB 3.31Å; L13-T16 PolarHBondContact O-N 3.18Å; L13-T16 VanDerWaalsContact O-N 3.14Å; T16-Y19 PolarHBondContact O-N 2.95Å; T16-S20 PolarHBondContact O-N 3.36Å; T16-W178 HydrophobicContact CG2-CH2 3.56Å; T16-W178 HydrophobicContact CG2-CZ2 3.76Å; T16-L197 HydrophobicContact CG2-CD1 4.24Å; T16-F203 HydrophobicContact CG2-CD1 3.64Å; T16-F203 HydrophobicContact CG2-CE1 3.69Å; T16-F203 HydrophobicContact CG2-CG 4.45Å
17L96.7Very high96.4Very high1 Ų119.5 Ų19.51%0.00510%0.103CC..Hα-helixtrans-67.5-38.3175.6-16960.7000112.1L13 S14 T15 Y19 S20 F21 F78 F101 L103 I147 L152 L160L13-L17 PolarHBondContact O-N 3.35Å; S14-L17 PolarHBondContact O-N 3.19Å; T15-L17 VanDerWaalsContact C-N 3.27Å; T15-L17 PolarHBondContact O-N 3.37Å; L17-Y19 PolarHBondContact O-N 3.11Å; L17-S20 VanDerWaalsContact O-CB 3.31Å; L17-S20 WeakPolarHBondContact O-CB 3.47Å; L17-S20 PolarHBondContact O-N 3.16Å; L17-F21 HydrophobicContact CD1-CD2 3.99Å; L17-F21 HydrophobicContact CD1-CE2 3.81Å; L17-F21 HydrophobicContact CG-CD2 4.02Å; L17-F21 HydrophobicContact CG-CE2 4.02Å; L17-F21 WeakPolarHBondContact O-CD2 3.33Å; L17-F21 PolarHBondContact O-N 3.33Å; L17-F78 HydrophobicContact CG-CZ 4.36Å; L17-F101 HydrophobicContact CD2-CE2 3.48Å; L17-F101 VanDerWaalsContact CD2-CE2 3.48Å; L17-F101 HydrophobicContact CD2-CZ 3.51Å; L17-L103 HydrophobicContact CD2-CD2 4.04Å; L17-I147 HydrophobicContact CD2-CD1 4.09Å; L17-L152 HydrophobicContact CD1-CD2 4.08Å; L17-L160 HydrophobicContact CD1-CD2 3.66Å
18M97.9Very high96.3Very high0 Ų021.7 Ų21.70%011%0.113CC..Hα-helixtrans-58.9-46.4172.7-176.7-17577.200111.7S14 T15 S20 F21 A22 V29 D31 F78 K80 I183S14-M18 PolarHBondContact O-N 3.4Å; T15-M18 HydrophobicContact CG2-CE 3.94Å; T15-M18 WeakPolarHBondContact O-CB 3.26Å; T15-M18 PolarHBondContact O-N 3.01Å; M18-S20 VanDerWaalsContact C-N 3.3Å; M18-S20 PolarHBondContact O-N 3.12Å; M18-F21 PolarHBondContact O-N 3.19Å; M18-A22 WeakPolarHBondContact O-CB 3.35Å; M18-A22 PolarHBondContact O-N 2.82Å; M18-V29 HydrophobicContact CG-CB 4.14Å; M18-V29 HydrophobicContact CG-CG2 4.12Å; M18-D31 HydrophobicContact CE-CB 4.05Å; M18-D31 HydrophobicContact SD-CB 3.56Å; M18-D31 VanDerWaalsContact SD-CB 3.56Å; M18-F78 HydrophobicContact CB-CE1 3.92Å; M18-F78 HydrophobicContact CG-CD1 4.3Å; M18-F78 HydrophobicContact CG-CE1 4.17Å; M18-K80 HydrophobicContact CB-CB 4.38Å; M18-K80 HydrophobicContact CB-CD 3.94Å; M18-K80 HydrophobicContact CG-CB 4.42Å; M18-K80 HydrophobicContact CG-CD 4.48Å; M18-K80 HydrophobicContact SD-CB 4.11Å; M18-K80 HydrophobicContact SD-CD 3.92Å; M18-I183 HydrophobicContact CE-CD1 4.31Å
19Y98.1Very high96.3Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-59.2-41.8175.3-92.7-120.3000112.1T15 T16 L17 A22 Q23 W178 G181 P182 I183 D186 L197 H198T15-Y19 HydrophobicContact CG2-CD2 4.33Å; T15-Y19 HydrophobicContact CG2-CE2 4.28Å; T15-Y19 WeakPolarHBondContact O-CD2 3.22Å; T15-Y19 PolarHBondContact O-N 3.1Å; T16-Y19 PolarHBondContact O-N 2.95Å; L17-Y19 PolarHBondContact O-N 3.11Å; Y19-A22 WeakPolarHBondContact O-CB 3.35Å; Y19-A22 PolarHBondContact O-N 2.84Å; Y19-Q23 WeakPolarHBondContact O-CG 3.41Å; Y19-Q23 PolarHBondContact O-N 3.15Å; Y19-Q23 PolarHBondContact O-NE2 2.78Å; Y19-W178 AromaticContact CD1-CD1 3.68Å; Y19-W178 HydrophobicContact CD1-CD2 4.44Å; Y19-W178 HydrophobicContact CD1-CG 4.04Å; Y19-W178 AromaticContact CD1-NE1 3.87Å; Y19-G181 WeakPolarHBondContact CE1-O 3.28Å; Y19-G181 PolarHBondContact OH-O 3.04Å; Y19-P182 WeakPolarHBondContact OH-CA 3.5Å; Y19-I183 HydrophobicContact CD1-CG2 4.31Å; Y19-I183 HydrophobicContact CD2-CD1 3.88Å; Y19-I183 HydrophobicContact CD2-CG1 4.45Å; Y19-I183 HydrophobicContact CE1-CG1 4.43Å; Y19-I183 HydrophobicContact CE1-CG2 3.76Å; Y19-I183 HydrophobicContact CE2-CD1 3.75Å; Y19-I183 HydrophobicContact CE2-CG1 3.82Å; Y19-I183 HydrophobicContact CG-CD1 4.35Å; Y19-I183 PolarHBondContact OH-N 3.42Å; Y19-D186 WeakPolarHBondContact CE2-OD1 3.25Å; Y19-D186 PolarHBondContact OH-OD1 2.94Å; Y19-D186 PolarHBondContact OH-OD2 3.26Å; Y19-D186 VanDerWaalsContact OH-OD2 3.06Å; Y19-L197 HydrophobicContact CD1-CD2 4.47Å; Y19-L197 HydrophobicContact CD1-CG 4.42Å; Y19-L197 HydrophobicContact CD2-CD2 3.51Å; Y19-L197 HydrophobicContact CD2-CG 4.3Å; Y19-L197 HydrophobicContact CE1-CD2 4.46Å; Y19-L197 HydrophobicContact CE1-CG 4.37Å; Y19-L197 HydrophobicContact CE2-CD2 3.49Å; Y19-L197 VanDerWaalsContact CE2-CD2 3.49Å; Y19-L197 HydrophobicContact CE2-CG 4.24Å; Y19-L197 HydrophobicContact CG-CD1 4.42Å; Y19-L197 HydrophobicContact CG-CD2 4.01Å; Y19-L197 HydrophobicContact CG-CG 4.36Å; Y19-H198 PolarHBondContact OH-CD2 3.11Å; Y19-H198 PolarHBondContact OH-NE2 3.48Å
20S98Very high96.4Very high0 Ų024 Ų240%013%0.125CC..Hα-helixtrans-59.6-48.2174.8176.30000112.1T16 L17 M18 A22 Q23 M175T16-S20 PolarHBondContact O-N 3.36Å; L17-S20 VanDerWaalsContact O-CB 3.31Å; L17-S20 WeakPolarHBondContact O-CB 3.47Å; L17-S20 PolarHBondContact O-N 3.16Å; M18-S20 VanDerWaalsContact C-N 3.3Å; M18-S20 PolarHBondContact O-N 3.12Å; S20-A22 VanDerWaalsContact C-N 3.34Å; S20-A22 PolarHBondContact O-N 3.36Å; S20-Q23 PolarHBondContact O-N 3.3Å; S20-M175 WeakPolarHBondContact CA-O 3.4Å; S20-M175 VanDerWaalsContact CB-O 3.27Å; S20-M175 WeakPolarHBondContact CB-O 3.4Å; S20-M175 WeakPolarHBondContact O-CA 3.32Å; S20-M175 PolarHBondContact OG-O 3.02Å
21F98Very high96.7Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-66.5-34.6175.9-87-95.5000112.2I4 L17 M18 Q23 R24 I27 V29 F78 L163 L167 I169 M175I4-F21 HydrophobicContact CD1-CE1 4.49Å; L17-F21 HydrophobicContact CD1-CD2 3.99Å; L17-F21 HydrophobicContact CD1-CE2 3.81Å; L17-F21 HydrophobicContact CG-CD2 4.02Å; L17-F21 HydrophobicContact CG-CE2 4.02Å; L17-F21 WeakPolarHBondContact O-CD2 3.33Å; L17-F21 PolarHBondContact O-N 3.33Å; M18-F21 PolarHBondContact O-N 3.19Å; F21-Q23 PolarHBondContact O-N 3.49Å; F21-Q23 VanDerWaalsContact O-N 3.08Å; F21-R24 WeakPolarHBondContact O-CB 3.4Å; F21-R24 WeakPolarHBondContact O-CG 3.37Å; F21-R24 PolarHBondContact O-N 2.74Å; F21-I27 HydrophobicContact CD1-CD1 3.82Å; F21-I27 WeakPolarHBondContact O-CG2 3.4Å; F21-V29 HydrophobicContact CB-CG1 4.46Å; F21-F78 HydrophobicContact CB-CB 4.37Å; F21-F78 HydrophobicContact CB-CD1 4.45Å; F21-F78 HydrophobicContact CB-CD2 3.92Å; F21-F78 HydrophobicContact CB-CE2 4.23Å; F21-F78 HydrophobicContact CB-CG 4.02Å; F21-F78 AromaticContact CD1-CD2 3.66Å; F21-F78 HydrophobicContact CD1-CD2 3.66Å; F21-F78 HydrophobicContact CD1-CE2 4.11Å; F21-F78 HydrophobicContact CD1-CG 4.41Å; F21-F78 AromaticContact CD2-CD2 3.86Å; F21-F78 HydrophobicContact CD2-CD2 3.86Å; F21-F78 AromaticContact CD2-CE2 3.47Å; F21-F78 HydrophobicContact CD2-CE2 3.47Å; F21-F78 VanDerWaalsContact CD2-CE2 3.47Å; F21-F78 HydrophobicContact CD2-CZ 4.07Å; F21-F78 HydrophobicContact CE1-CD2 4.04Å; F21-F78 HydrophobicContact CE1-CE2 4.3Å; F21-F78 HydrophobicContact CE2-CD2 4.26Å; F21-F78 AromaticContact CE2-CE2 3.72Å; F21-F78 HydrophobicContact CE2-CE2 3.72Å; F21-F78 AromaticContact CG-CD2 3.53Å; F21-F78 HydrophobicContact CG-CD2 3.53Å; F21-F78 AromaticContact CG-CE2 3.67Å; F21-F78 HydrophobicContact CG-CE2 3.67Å; F21-F78 HydrophobicContact CG-CG 4.15Å; F21-F78 HydrophobicContact CG-CZ 4.4Å; F21-F78 HydrophobicContact CZ-CD2 4.33Å; F21-F78 HydrophobicContact CZ-CE2 4.12Å; F21-L163 HydrophobicContact CE2-CD2 4.01Å; F21-L163 HydrophobicContact CZ-CD2 3.97Å; F21-L167 HydrophobicContact CZ-CD1 4.31Å; F21-I169 HydrophobicContact CE1-CD1 3.86Å; F21-M175 HydrophobicContact CD1-CE 4.18Å; F21-M175 HydrophobicContact CD2-CE 4.04Å; F21-M175 HydrophobicContact CE1-CE 4.09Å; F21-M175 HydrophobicContact CE2-CE 3.92Å; F21-M175 HydrophobicContact CG-CE 4.19Å; F21-M175 HydrophobicContact CZ-CE 3.97Å
22A97.6Very high97Very high30 Ų3021 Ų2125%0.24811%0.114CC..Hα-helixtrans-61.4-17.2176.300000113.9M18 Y19 S20 R24 V29 I183M18-A22 WeakPolarHBondContact O-CB 3.35Å; M18-A22 PolarHBondContact O-N 2.82Å; Y19-A22 WeakPolarHBondContact O-CB 3.35Å; Y19-A22 PolarHBondContact O-N 2.84Å; S20-A22 VanDerWaalsContact C-N 3.34Å; S20-A22 PolarHBondContact O-N 3.36Å; A22-R24 VanDerWaalsContact C-N 3.27Å; A22-R24 PolarHBondContact O-N 2.94Å; A22-V29 HydrophobicContact CB-CG1 3.86Å; A22-V29 HydrophobicContact CB-CG2 4.01Å; A22-I183 HydrophobicContact CB-CD1 4.16Å
23Q97.7Very high97.2Very high59 Ų5921.5 Ų21.528%0.27612%0.117SC..THydrogen-bonded Turntrans-80.9-5175.3-52.1-47.5-64.800113.8Y19 S20 F21 S174 K177 W178Y19-Q23 WeakPolarHBondContact O-CG 3.41Å; Y19-Q23 PolarHBondContact O-N 3.15Å; Y19-Q23 PolarHBondContact O-NE2 2.78Å; S20-Q23 PolarHBondContact O-N 3.3Å; F21-Q23 PolarHBondContact O-N 3.49Å; F21-Q23 VanDerWaalsContact O-N 3.08Å; Q23-S174 WeakPolarHBondContact CB-O 3.19Å; Q23-S174 WeakPolarHBondContact CG-O 3.42Å; Q23-S174 WeakPolarHBondContact O-CB 3.26Å; Q23-S174 PolarHBondContact O-OG 3.07Å; Q23-K177 WeakPolarHBondContact CG-O 3.47Å; Q23-W178 VanDerWaalsContact CD-CB 3.47Å; Q23-W178 HydrophobicContact CG-CB 3.98Å
24R97.5Very high97.3Very high7 Ų720.1 Ų20.13%0.02611%0.11CC..  trans-81.3141.4176.8-54.3167.65786.65.9110.1F21 A22 D26 I27 P170 Q172 M175F21-R24 WeakPolarHBondContact O-CB 3.4Å; F21-R24 WeakPolarHBondContact O-CG 3.37Å; F21-R24 PolarHBondContact O-N 2.74Å; A22-R24 VanDerWaalsContact C-N 3.27Å; A22-R24 PolarHBondContact O-N 2.94Å; R24-D26 VanDerWaalsContact C-N 3.28Å; R24-D26 WeakPolarHBondContact CB-OD1 3.24Å; R24-D26 IonicContact CZ-OD1 3.99Å; R24-D26 IonicContact CZ-OD2 3.06Å; R24-D26 IonicContact NE-OD1 3.48Å; R24-D26 PolarHBondContact NE-OD1 3.36Å; R24-D26 VanDerWaalsContact NH2-CG 3.34Å; R24-D26 IonicContact NH2-OD1 2.85Å; R24-D26 PolarHBondContact NH2-OD1 2.92Å; R24-D26 IonicContact NH2-OD2 3.77Å; R24-D26 PolarHBondContact NH2-OD2 2.92Å; R24-D26 PolarHBondContact O-N 2.76Å; R24-I27 HydrophobicContact CB-CB 4.42Å; R24-I27 HydrophobicContact CB-CG2 3.75Å; R24-I27 HydrophobicContact CG-CG2 4.37Å; R24-P170 VanDerWaalsContact CZ-O 3.3Å; R24-P170 PolarHBondContact NH1-O 2.62Å; R24-P170 PolarHBondContact NH2-O 2.68Å; R24-Q172 VanDerWaalsContact CA-OE1 3.29Å; R24-M175 HydrophobicContact CG-CE 4.49Å; R24-M175 HydrophobicContact CG-CG 3.52Å; R24-M175 HydrophobicContact CG-SD 3.84Å; R24-M175 PolarHBondContact NH1-SD 3.46Å
25D96.8Very high97.4Very high111 Ų11120.2 Ų20.259%0.59411%0.109SC*.THydrogen-bonded Turntrans-76.2-14.5179.262.76.3000114.1K74 Q172D25-K74 WeakPolarHBondContact O-CD 3.25Å; D25-K74 WeakPolarHBondContact O-CE 3.46Å; D25-K74 PolarHBondContact O-NZ 3.16Å; D25-Q172 PolarHBondContact OD1-NE2 3.13Å; D25-Q172 PolarHBondContact OD1-OE1 3.04Å
26D97.5Very high97.4Very high26 Ų2619.3 Ų19.314%0.13910%0.103CC..THydrogen-bonded Turntrans-106.33-171.869.3-10.4000114.3R24 K75 Y76R24-D26 VanDerWaalsContact C-N 3.28Å; R24-D26 WeakPolarHBondContact CB-OD1 3.24Å; R24-D26 IonicContact CZ-OD1 3.99Å; R24-D26 IonicContact CZ-OD2 3.06Å; R24-D26 IonicContact NE-OD1 3.48Å; R24-D26 PolarHBondContact NE-OD1 3.36Å; R24-D26 VanDerWaalsContact NH2-CG 3.34Å; R24-D26 IonicContact NH2-OD1 2.85Å; R24-D26 PolarHBondContact NH2-OD1 2.92Å; R24-D26 IonicContact NH2-OD2 3.77Å; R24-D26 PolarHBondContact NH2-OD2 2.92Å; R24-D26 PolarHBondContact O-N 2.76Å; D26-K75 PolarHBondContact O-N 3.28Å; D26-Y76 HydrophobicContact CB-CD2 4.41Å; D26-Y76 PolarHBondContact O-N 3.33Å; D26-Y76 WeakPolarHBondContact OD2-CE2 3.4Å
27I97.5Very high97.3Very high8 Ų818.6 Ų18.64%0.04110%0.1CC..EExtended strand (participates in β ladder)trans-128.1150.8-175.9-154.4156.5000112.6I4 F21 R24 V29 Y76 F78I4-I27 HydrophobicContact CD1-CD1 4.04Å; F21-I27 HydrophobicContact CD1-CD1 3.82Å; F21-I27 WeakPolarHBondContact O-CG2 3.4Å; R24-I27 HydrophobicContact CB-CB 4.42Å; R24-I27 HydrophobicContact CB-CG2 3.75Å; R24-I27 HydrophobicContact CG-CG2 4.37Å; I27-V29 HydrophobicContact CG2-CG1 4.41Å; I27-Y76 WeakPolarHBondContact CA-O 2.95Å; I27-F78 HydrophobicContact CD1-CB 3.62Å; I27-F78 HydrophobicContact CG1-CB 4.07Å
28E97.3Very high97.3Very high46 Ų4618.6 Ų18.622%0.21510%0.1CC..EExtended strand (participates in β ladder)trans-115.8151.2162.756.6-172.1-133.900109.2G72 K73 K74 Y76 R77 F78E28-G72 WeakPolarHBondContact OE1-CA 3.45Å; E28-K73 PolarHBondContact OE2-N 3.1Å; E28-K74 HydrophobicContact CB-CB 4.3Å; E28-K74 HydrophobicContact CB-CG 4.06Å; E28-K74 HydrophobicContact CG-CB 4.17Å; E28-K74 HydrophobicContact CG-CG 4.42Å; E28-K74 PolarHBondContact OE2-N 2.84Å; E28-Y76 PolarHBondContact N-O 3.23Å; E28-Y76 VanDerWaalsContact N-O 3.13Å; E28-R77 HydrophobicContact CG-CB 4.03Å; E28-R77 HydrophobicContact CG-CG 4.12Å; E28-R77 CarbonylContact O-C 3.49Å; E28-R77 VanDerWaalsContact O-CA 3.27Å; E28-R77 WeakPolarHBondContact O-CA 3.28Å; E28-R77 IonicContact OE1-CZ 2.79Å; E28-R77 IonicContact OE1-NE 3.97Å; E28-R77 PolarHBondContact OE1-NE 2.68Å; E28-R77 IonicContact OE1-NH2 3.11Å; E28-R77 PolarHBondContact OE1-NH2 3.26Å; E28-F78 PolarHBondContact O-N 2.84Å
29V98Very high97.2Very high8 Ų818.6 Ų18.65%0.04810%0.1CC..EExtended strand (participates in β ladder)trans-118.5146.5-173.4-50.60000111.9M18 F21 A22 I27 F78 E185M18-V29 HydrophobicContact CG-CB 4.14Å; M18-V29 HydrophobicContact CG-CG2 4.12Å; F21-V29 HydrophobicContact CB-CG1 4.46Å; A22-V29 HydrophobicContact CB-CG1 3.86Å; A22-V29 HydrophobicContact CB-CG2 4.01Å; I27-V29 HydrophobicContact CG2-CG1 4.41Å; V29-F78 CarbonylContact C-O 3.55Å; V29-F78 WeakPolarHBondContact CA-O 3.07Å; V29-F78 HydrophobicContact CB-CB 4.43Å; V29-F78 HydrophobicContact CB-CD1 4.48Å; V29-F78 HydrophobicContact CG1-CB 4.04Å; V29-F78 HydrophobicContact CG1-CD1 4.45Å; V29-E185 HydrophobicContact CG2-CB 3.57Å; V29-E185 HydrophobicContact CG2-CG 3.58Å
30L97.9Very high97Very high41 Ų4125 Ų2522%0.21513%0.128CC..EExtended strand (participates in β ladder)trans-123.4126.4172.3-63.6-178.5000109.7P33 I67 R77 F78 K80L30-P33 HydrophobicContact CB-CG 4.25Å; L30-P33 HydrophobicContact CD1-CB 4.42Å; L30-P33 HydrophobicContact CD1-CG 4.44Å; L30-I67 HydrophobicContact CD1-CG2 3.91Å; L30-R77 HydrophobicContact CD1-CG 4.31Å; L30-R77 HydrophobicContact CG-CG 4.3Å; L30-F78 PolarHBondContact N-O 3.2Å; L30-K80 PolarHBondContact O-N 3.39Å
31D97.7Very high96.8Very high10 Ų1029.1 Ų29.15%0.05316%0.156CC..EExtended strand (participates in β ladder)trans-90.3111.8175.9-165.817.6000111.2M18 K80 E185 G187 W189 Y194M18-D31 HydrophobicContact CE-CB 4.05Å; M18-D31 HydrophobicContact SD-CB 3.56Å; M18-D31 VanDerWaalsContact SD-CB 3.56Å; D31-K80 WeakPolarHBondContact OD1-CD 3.3Å; D31-K80 IonicContact OD1-NZ 2.74Å; D31-K80 PolarHBondContact OD1-NZ 3.19Å; D31-E185 VanDerWaalsContact CB-O 3.29Å; D31-E185 WeakPolarHBondContact CB-O 3.2Å; D31-G187 PolarHBondContact OD2-N 2.93Å; D31-W189 HydrophobicContact CB-CZ2 4.36Å; D31-W189 WeakPolarHBondContact O-CH2 3.23Å; D31-Y194 VanDerWaalsContact CG-OH 3.27Å; D31-Y194 PolarHBondContact OD1-OH 3.29Å; D31-Y194 VanDerWaalsContact OD2-CE2 3.24Å; D31-Y194 WeakPolarHBondContact OD2-CE2 3.4Å; D31-Y194 PolarHBondContact OD2-OH 3.4Å
32E97.3Very high96.5Very high17 Ų1731.9 Ų31.98%0.07917%0.173CC..  trans40.858.2176.5-49.6178.4-152.500114.3L34 Y35 K80 I82 Q85 W189E32-L34 PolarHBondContact O-N 2.69Å; E32-Y35 VanDerWaalsContact O-CB 3.25Å; E32-Y35 WeakPolarHBondContact O-CB 3.3Å; E32-Y35 PolarHBondContact O-N 3.33Å; E32-K80 WeakPolarHBondContact CA-O 3.48Å; E32-K80 HydrophobicContact CG-CG 4.49Å; E32-K80 VanDerWaalsContact CG-NZ 3.26Å; E32-K80 PolarHBondContact N-O 3.24Å; E32-K80 IonicContact OE1-NZ 2.98Å; E32-K80 PolarHBondContact OE1-NZ 2.74Å; E32-I82 VanDerWaalsContact CD-CG1 3.43Å; E32-I82 HydrophobicContact CG-CG1 4.01Å; E32-I82 WeakPolarHBondContact OE2-CG1 3.34Å; E32-Q85 PolarHBondContact OE2-NE2 3.03Å; E32-W189 HydrophobicContact CB-CH2 3.95Å; E32-W189 HydrophobicContact CB-CZ2 3.56Å; E32-W189 HydrophobicContact CG-CZ2 3.9Å
33P97.1Very high96.2Very high9 Ų932.4 Ų32.46%0.05818%0.181CC..THydrogen-bonded Turntrans-59.9-25.3-173.924.5-34.6000113.2L30 Y35 V63 I68L30-P33 HydrophobicContact CB-CG 4.25Å; L30-P33 HydrophobicContact CD1-CB 4.42Å; L30-P33 HydrophobicContact CD1-CG 4.44Å; P33-Y35 VanDerWaalsContact C-N 3.33Å; P33-V63 HydrophobicContact CB-CG1 3.94Å; P33-V63 VanDerWaalsContact O-CG1 3.29Å; P33-V63 WeakPolarHBondContact O-CG1 3.37Å; P33-I68 HydrophobicContact CB-CG1 4.29Å; P33-I68 HydrophobicContact CG-CD1 4Å; P33-I68 HydrophobicContact CG-CG1 3.96Å
34L97.3Very high95.8Very high1 Ų131.4 Ų31.41%0.00518%0.179CC..THydrogen-bonded Turntrans-82.3-3.3178.2-65.6170.9000114.1W7 E32 A36 A37 F38 V63 V64 I68 Q85 L90 L94W7-L34 HydrophobicContact CH2-CD1 4.39Å; E32-L34 PolarHBondContact O-N 2.69Å; L34-A36 PolarHBondContact O-N 3.46Å; L34-A37 PolarHBondContact O-N 3.3Å; L34-F38 WeakPolarHBondContact O-CB 3.26Å; L34-F38 PolarHBondContact O-N 3.41Å; L34-V63 HydrophobicContact CD2-CB 4.33Å; L34-V63 HydrophobicContact CD2-CG1 3.82Å; L34-V63 HydrophobicContact CG-CG1 4.43Å; L34-V64 HydrophobicContact CD2-CG2 4.24Å; L34-I68 HydrophobicContact CG-CD1 4.48Å; L34-Q85 HydrophobicContact CB-CB 4.09Å; L34-L90 HydrophobicContact CD1-CD1 3.97Å; L34-L90 HydrophobicContact CD2-CD1 4.03Å; L34-L90 HydrophobicContact CD2-CD2 4.02Å; L34-L94 HydrophobicContact CD1-CD1 4.44Å; L34-L94 HydrophobicContact CD1-CD2 3.8Å
35Y96.3Very high95.3Very high10 Ų1037.1 Ų37.14%0.03921%0.211CC..Hα-helixtrans-66.3-38.6-170-171.6-157.3000113.4E32 P33 F38 L39 Y48 L52 Q85 W189E32-Y35 VanDerWaalsContact O-CB 3.25Å; E32-Y35 WeakPolarHBondContact O-CB 3.3Å; E32-Y35 PolarHBondContact O-N 3.33Å; P33-Y35 VanDerWaalsContact C-N 3.33Å; Y35-F38 AromaticContact CD2-CD1 3.98Å; Y35-F38 HydrophobicContact CD2-CD1 3.98Å; Y35-F38 HydrophobicContact CE2-CD1 4.1Å; Y35-F38 WeakPolarHBondContact O-CB 3.15Å; Y35-F38 PolarHBondContact O-N 3.44Å; Y35-L39 HydrophobicContact CD2-CD1 4.22Å; Y35-L39 HydrophobicContact CD2-CD2 4.36Å; Y35-L39 HydrophobicContact CD2-CG 3.88Å; Y35-L39 HydrophobicContact CE1-CD1 4.34Å; Y35-L39 HydrophobicContact CE2-CD1 3.81Å; Y35-L39 HydrophobicContact CE2-CD2 3.67Å; Y35-L39 HydrophobicContact CE2-CG 3.6Å; Y35-L39 WeakPolarHBondContact O-CG 3.4Å; Y35-L39 PolarHBondContact O-N 3.5Å; Y35-Y48 AromaticContact CE1-CE2 3.84Å; Y35-Y48 HydrophobicContact CE1-CE2 3.84Å; Y35-Y48 WeakPolarHBondContact OH-CE2 3.26Å; Y35-Y48 PolarHBondContact OH-OH 3.33Å; Y35-L52 HydrophobicContact CD1-CD1 3.56Å; Y35-L52 HydrophobicContact CE1-CD1 3.62Å; Y35-L52 HydrophobicContact CG-CD1 4.34Å; Y35-Q85 HydrophobicContact CD2-CG 4.44Å; Y35-W189 AromaticContact CD1-CD2 3.68Å; Y35-W189 HydrophobicContact CD1-CD2 3.68Å; Y35-W189 AromaticContact CD1-CE2 3.95Å; Y35-W189 AromaticContact CD1-CE3 3.48Å; Y35-W189 HydrophobicContact CD1-CE3 3.48Å; Y35-W189 VanDerWaalsContact CD1-CE3 3.48Å; Y35-W189 HydrophobicContact CD1-CG 4.43Å; Y35-W189 AromaticContact CD1-CH2 3.85Å; Y35-W189 HydrophobicContact CD1-CH2 3.85Å; Y35-W189 HydrophobicContact CD1-CZ2 4.07Å; Y35-W189 AromaticContact CD1-CZ3 3.56Å; Y35-W189 HydrophobicContact CD1-CZ3 3.56Å; Y35-W189 HydrophobicContact CE1-CB 4.39Å; Y35-W189 AromaticContact CE1-CD2 3.7Å; Y35-W189 HydrophobicContact CE1-CD2 3.7Å; Y35-W189 AromaticContact CE1-CE3 3.76Å; Y35-W189 HydrophobicContact CE1-CE3 3.76Å; Y35-W189 AromaticContact CE1-CG 3.99Å; Y35-W189 HydrophobicContact CE1-CG 3.99Å; Y35-W189 HydrophobicContact CE1-CZ3 4.31Å
36A96Very high95Very high0 Ų032.6 Ų32.60%019%0.185CC..Hα-helixtrans-64.5-44.9177.100000112.1L34 F38 L39 K40 L52 L53 M56 E57L34-A36 PolarHBondContact O-N 3.46Å; A36-F38 VanDerWaalsContact C-N 3.31Å; A36-F38 PolarHBondContact O-N 3.17Å; A36-L39 PolarHBondContact O-N 2.87Å; A36-K40 WeakPolarHBondContact O-CB 3.39Å; A36-K40 PolarHBondContact O-N 2.75Å; A36-L52 VanDerWaalsContact CA-CD2 3.44Å; A36-L52 HydrophobicContact CB-CD2 3.42Å; A36-L52 VanDerWaalsContact CB-CD2 3.42Å; A36-L53 HydrophobicContact CB-CD2 4.45Å; A36-L53 VanDerWaalsContact O-CD2 3.31Å; A36-L53 WeakPolarHBondContact O-CD2 3.44Å; A36-M56 HydrophobicContact CB-CB 3.62Å; A36-E57 WeakPolarHBondContact CB-O 3.25Å
37A95.9Very high94.6Very high6 Ų636.7 Ų36.75%0.0521%0.213CC..Hα-helixtrans-60-42.4173.800000111.6L34 K40 S41 C58L34-A37 PolarHBondContact O-N 3.3Å; A37-K40 PolarHBondContact O-N 3.15Å; A37-S41 VanDerWaalsContact O-CB 3.32Å; A37-S41 WeakPolarHBondContact O-CB 3.4Å; A37-S41 PolarHBondContact O-N 2.87Å; A37-C58 WeakPolarHBondContact CA-O 3.4Å; A37-C58 WeakPolarHBondContact CB-O 3.48Å
38F96Very high94.3Very high2 Ų236.7 Ų36.71%0.00921%0.213CC..Hα-helixtrans-58.1-51.9173.4171.8-95.2000112.8L34 Y35 A36 K40 S41 T42 V44 K84 Q85 L87L34-F38 WeakPolarHBondContact O-CB 3.26Å; L34-F38 PolarHBondContact O-N 3.41Å; Y35-F38 AromaticContact CD2-CD1 3.98Å; Y35-F38 HydrophobicContact CD2-CD1 3.98Å; Y35-F38 HydrophobicContact CE2-CD1 4.1Å; Y35-F38 WeakPolarHBondContact O-CB 3.15Å; Y35-F38 PolarHBondContact O-N 3.44Å; A36-F38 VanDerWaalsContact C-N 3.31Å; A36-F38 PolarHBondContact O-N 3.17Å; F38-K40 VanDerWaalsContact C-N 3.33Å; F38-K40 PolarHBondContact O-N 2.82Å; F38-S41 PolarHBondContact O-N 2.8Å; F38-T42 HydrophobicContact CD2-CG2 3.77Å; F38-T42 HydrophobicContact CE2-CG2 3.55Å; F38-T42 HydrophobicContact CG-CG2 4.46Å; F38-T42 HydrophobicContact CZ-CG2 4.05Å; F38-T42 WeakPolarHBondContact O-CB 3.44Å; F38-T42 WeakPolarHBondContact O-CG2 3.36Å; F38-T42 PolarHBondContact O-N 2.84Å; F38-T42 PolarHBondContact O-OG1 3.05Å; F38-V44 HydrophobicContact CE1-CB 4.46Å; F38-V44 HydrophobicContact CE1-CG2 4.4Å; F38-V44 HydrophobicContact CZ-CG2 4.3Å; F38-K84 VanDerWaalsContact CD2-O 3.26Å; F38-K84 WeakPolarHBondContact CD2-O 3.32Å; F38-K84 HydrophobicContact CE2-CG 4.19Å; F38-K84 WeakPolarHBondContact CE2-O 3.49Å; F38-K84 HydrophobicContact CZ-CD 4.22Å; F38-K84 HydrophobicContact CZ-CG 4.19Å; F38-Q85 HydrophobicContact CB-CB 4.08Å; F38-Q85 HydrophobicContact CB-CG 3.95Å; F38-Q85 HydrophobicContact CD1-CG 4.32Å; F38-Q85 HydrophobicContact CD2-CB 4.49Å; F38-Q85 HydrophobicContact CD2-CG 4.35Å; F38-Q85 HydrophobicContact CG-CB 4.35Å; F38-Q85 HydrophobicContact CG-CG 3.94Å; F38-L87 HydrophobicContact CD2-CD2 3.88Å
39L94.9Very high94.1Very high0 Ų036.2 Ų36.20%021%0.21CC..Hα-helixtrans-65-36.6-179-70.4-177.9000112.5Y35 A36 G43 V44 R46 K49 L52 L53Y35-L39 HydrophobicContact CD2-CD1 4.22Å; Y35-L39 HydrophobicContact CD2-CD2 4.36Å; Y35-L39 HydrophobicContact CD2-CG 3.88Å; Y35-L39 HydrophobicContact CE1-CD1 4.34Å; Y35-L39 HydrophobicContact CE2-CD1 3.81Å; Y35-L39 HydrophobicContact CE2-CD2 3.67Å; Y35-L39 HydrophobicContact CE2-CG 3.6Å; Y35-L39 WeakPolarHBondContact O-CG 3.4Å; Y35-L39 PolarHBondContact O-N 3.5Å; A36-L39 PolarHBondContact O-N 2.87Å; L39-G43 WeakPolarHBondContact O-CA 3.22Å; L39-G43 PolarHBondContact O-N 3.02Å; L39-V44 HydrophobicContact CD2-CB 4.18Å; L39-V44 HydrophobicContact CD2-CG1 4.37Å; L39-R46 HydrophobicContact CD2-CG 4Å; L39-K49 HydrophobicContact CD1-CG 4.38Å; L39-L52 HydrophobicContact CD1-CD1 3.92Å; L39-L52 HydrophobicContact CD1-CD2 4.18Å; L39-L53 HydrophobicContact CB-CD2 4.22Å
40K94.7Very high93.9Very high135 Ų13542.1 Ų42.159%0.58724%0.241SC*.Hα-helixtrans-65.7-45.6175.8-177174.4176.3-176.90111.9A36 A37 F38 L53 C58A36-K40 WeakPolarHBondContact O-CB 3.39Å; A36-K40 PolarHBondContact O-N 2.75Å; A37-K40 PolarHBondContact O-N 3.15Å; F38-K40 VanDerWaalsContact C-N 3.33Å; F38-K40 PolarHBondContact O-N 2.82Å; K40-L53 HydrophobicContact CB-CD2 3.95Å; K40-C58 HydrophobicContact CB-CB 4.23Å; K40-C58 HydrophobicContact CD-CB 3.39Å; K40-C58 HydrophobicContact CG-CB 4.45Å
41S93.7Very high93.8Very high86 Ų8644.3 Ų44.360%0.60125%0.25SS*.Hα-helixtrans-74-43.3-175.8179.70000112.8A37 F38A37-S41 VanDerWaalsContact O-CB 3.32Å; A37-S41 WeakPolarHBondContact O-CB 3.4Å; A37-S41 PolarHBondContact O-N 2.87Å; F38-S41 PolarHBondContact O-N 2.8Å
42T92.2Very high93.6Very high57 Ų5743.8 Ų43.835%0.3525%0.248SC..Hα-helixtrans-85-21.8-17661.20000113.3F38 V44 L87F38-T42 HydrophobicContact CD2-CG2 3.77Å; F38-T42 HydrophobicContact CE2-CG2 3.55Å; F38-T42 HydrophobicContact CG-CG2 4.46Å; F38-T42 HydrophobicContact CZ-CG2 4.05Å; F38-T42 WeakPolarHBondContact O-CB 3.44Å; F38-T42 WeakPolarHBondContact O-CG2 3.36Å; F38-T42 PolarHBondContact O-N 2.84Å; F38-T42 PolarHBondContact O-OG1 3.05Å; T42-V44 PolarHBondContact O-N 2.87Å; T42-V44 WeakPolarHBondContact OG1-CG2 3.37Å; T42-V44 PolarHBondContact OG1-N 2.8Å; T42-L87 HydrophobicContact CG2-CD2 3.97Å
43G91.1Very high93.4Very high41 Ų4145.2 Ų45.242%0.42326%0.255SS..  trans70.74.5-175.300000114.3L39 D45 K49L39-G43 WeakPolarHBondContact O-CA 3.22Å; L39-G43 PolarHBondContact O-N 3.02Å; G43-D45 PolarHBondContact O-N 2.93Å; G43-K49 PolarHBondContact O-NZ 3.48Å
44V88.4Confident93.3Very high38 Ų3849.1 Ų49.123%0.2328%0.283CS..  trans-50.9132.4178.9170.80000110.3F38 L39 T42 K49F38-V44 HydrophobicContact CE1-CB 4.46Å; F38-V44 HydrophobicContact CE1-CG2 4.4Å; F38-V44 HydrophobicContact CZ-CG2 4.3Å; L39-V44 HydrophobicContact CD2-CB 4.18Å; L39-V44 HydrophobicContact CD2-CG1 4.37Å; T42-V44 PolarHBondContact O-N 2.87Å; T42-V44 WeakPolarHBondContact OG1-CG2 3.37Å; T42-V44 PolarHBondContact OG1-N 2.8Å; V44-K49 WeakPolarHBondContact O-CD 3.38Å; V44-K49 PolarHBondContact O-NZ 2.74Å
45D88.2Confident93.2Very high128 Ų12855.6 Ų55.668%0.68431%0.311SS*.  trans-85138.9-177.4-166.425.6000111.8G43G43-D45 PolarHBondContact O-N 2.93Å
46R89.2Confident93.1Very high15 Ų1557.6 Ų57.66%0.05732%0.322CS..  trans-148.1144.2176.7-64.4-66.8171.5167.2-5.9108.6L39 Y48 K49 H118 E124L39-R46 HydrophobicContact CD2-CG 4Å; R46-Y48 HydrophobicContact CB-CD2 4.22Å; R46-Y48 HydrophobicContact CB-CE1 4.49Å; R46-Y48 HydrophobicContact CB-CE2 3.9Å; R46-Y48 HydrophobicContact CG-CE2 4.25Å; R46-Y48 PolarHBondContact O-N 2.85Å; R46-K49 HydrophobicContact CB-CB 4.21Å; R46-K49 WeakPolarHBondContact O-CB 3.38Å; R46-K49 PolarHBondContact O-N 2.78Å; R46-H118 VanDerWaalsContact CZ-CD2 3.47Å; R46-H118 PolarHBondContact NH1-CD2 3.08Å; R46-E124 IonicContact CZ-OE2 2.72Å; R46-E124 IonicContact NH2-OE1 2.67Å; R46-E124 PolarHBondContact NH2-OE1 2.93Å; R46-E124 IonicContact NH2-OE2 2.67Å; R46-E124 PolarHBondContact NH2-OE2 3.33Å
47P90.4Very high93.1Very high113 Ų11361 Ų6173%0.73434%0.338SS*.THydrogen-bonded Turntrans-54.8-29.2-179.7-27.334.9000114.7
48Y91.6Very high93.1Very high7 Ų761.6 Ų61.63%0.02734%0.341CS..THydrogen-bonded Turntrans-104.911.9-178.447.8-99.6000113.3Y35 R46 D50 E51 L52 W189 W192 W193Y35-Y48 AromaticContact CE1-CE2 3.84Å; Y35-Y48 HydrophobicContact CE1-CE2 3.84Å; Y35-Y48 WeakPolarHBondContact OH-CE2 3.26Å; Y35-Y48 PolarHBondContact OH-OH 3.33Å; R46-Y48 HydrophobicContact CB-CD2 4.22Å; R46-Y48 HydrophobicContact CB-CE1 4.49Å; R46-Y48 HydrophobicContact CB-CE2 3.9Å; R46-Y48 HydrophobicContact CG-CE2 4.25Å; R46-Y48 PolarHBondContact O-N 2.85Å; Y48-D50 PolarHBondContact O-N 2.86Å; Y48-E51 PolarHBondContact O-N 2.62Å; Y48-L52 HydrophobicContact CD2-CD1 4.05Å; Y48-L52 HydrophobicContact CE2-CD1 4.21Å; Y48-L52 VanDerWaalsContact O-CB 3.23Å; Y48-L52 WeakPolarHBondContact O-CB 3.44Å; Y48-L52 PolarHBondContact O-N 3.03Å; Y48-W189 HydrophobicContact CD1-CB 4.42Å; Y48-W189 HydrophobicContact CD2-CB 3.99Å; Y48-W189 HydrophobicContact CE1-CB 3.97Å; Y48-W189 HydrophobicContact CE2-CB 3.51Å; Y48-W189 HydrophobicContact CE2-CG 4.48Å; Y48-W189 HydrophobicContact CG-CB 4.42Å; Y48-W189 VanDerWaalsContact CZ-CB 3.48Å; Y48-W192 AromaticContact CD1-CD2 3.42Å; Y48-W192 HydrophobicContact CD1-CD2 3.42Å; Y48-W192 VanDerWaalsContact CD1-CD2 3.42Å; Y48-W192 AromaticContact CD1-CE2 3.58Å; Y48-W192 AromaticContact CD1-CE3 3.6Å; Y48-W192 HydrophobicContact CD1-CE3 3.6Å; Y48-W192 AromaticContact CD1-CG 3.91Å; Y48-W192 HydrophobicContact CD1-CG 3.91Å; Y48-W192 HydrophobicContact CD1-CH2 4.07Å; Y48-W192 AromaticContact CD1-CZ2 3.91Å; Y48-W192 HydrophobicContact CD1-CZ2 3.91Å; Y48-W192 AromaticContact CD1-CZ3 3.92Å; Y48-W192 HydrophobicContact CD1-CZ3 3.92Å; Y48-W192 HydrophobicContact CE1-CB 4.08Å; Y48-W192 AromaticContact CE1-CD2 3.76Å; Y48-W192 HydrophobicContact CE1-CD2 3.76Å; Y48-W192 HydrophobicContact CE1-CE3 4.08Å; Y48-W192 AromaticContact CE1-CG 3.75Å; Y48-W192 HydrophobicContact CE1-CG 3.75Å; Y48-W192 HydrophobicContact CG-CD2 4.48Å; Y48-W192 HydrophobicContact CG-CE3 4.31Å; Y48-W192 HydrophobicContact CG-CH2 4.35Å; Y48-W192 HydrophobicContact CG-CZ3 4.24Å; Y48-W193 AromaticContact CZ-NE1 3.98Å; Y48-W193 PolarHBondContact OH-NE1 2.97Å
49K92.9Very high93.1Very high37 Ų3764.5 Ų64.516%0.16136%0.357CS..Hα-helixtrans-56.8-53-174.2179.1-176.4-179.6-179.80112.2L39 G43 V44 R46 E51 L52 L53L39-K49 HydrophobicContact CD1-CG 4.38Å; G43-K49 PolarHBondContact O-NZ 3.48Å; V44-K49 WeakPolarHBondContact O-CD 3.38Å; V44-K49 PolarHBondContact O-NZ 2.74Å; R46-K49 HydrophobicContact CB-CB 4.21Å; R46-K49 WeakPolarHBondContact O-CB 3.38Å; R46-K49 PolarHBondContact O-N 2.78Å; K49-E51 PolarHBondContact O-N 2.7Å; K49-L52 PolarHBondContact O-N 3.33Å; K49-L53 HydrophobicContact CG-CD1 3.93Å; K49-L53 HydrophobicContact CG-CG 4.36Å; K49-L53 VanDerWaalsContact O-CG 3.29Å; K49-L53 WeakPolarHBondContact O-CG 3.31Å; K49-L53 PolarHBondContact O-N 2.87Å
50D93.5Very high93.1Very high131 Ų13165 Ų6570%0.70136%0.362SS*.Hα-helixtrans-65.2-40.9-175.1-65.6-23.1000111.8Y48 L53 S54Y48-D50 PolarHBondContact O-N 2.86Å; D50-L53 PolarHBondContact O-N 2.82Å; D50-S54 WeakPolarHBondContact O-CB 3.43Å; D50-S54 PolarHBondContact O-N 2.77Å
51E94.7Very high93.1Very high87 Ų8763.4 Ų63.441%0.40736%0.356SS..Hα-helixtrans-63.3-43.9176.5-165.2-176.4171.700111.2Y48 K49 S54 K55 L188Y48-E51 PolarHBondContact O-N 2.62Å; K49-E51 PolarHBondContact O-N 2.7Å; E51-S54 PolarHBondContact O-N 3.16Å; E51-S54 PolarHBondContact O-OG 3.34Å; E51-K55 HydrophobicContact CG-CD 4.23Å; E51-K55 PolarHBondContact O-N 2.7Å; E51-K55 IonicContact OE1-NZ 2.63Å; E51-K55 PolarHBondContact OE1-NZ 3.38Å; E51-L188 HydrophobicContact CB-CD1 4.47Å; E51-L188 HydrophobicContact CB-CD2 4.31Å; E51-L188 HydrophobicContact CG-CD1 3.78Å; E51-L188 HydrophobicContact CG-CD2 4.29Å
52L93.8Very high93.3Very high0 Ų063.7 Ų63.70%035%0.347CS..Hα-helixtrans-62.2-49.5178-172.7161.6000111.2Y35 A36 L39 Y48 K49 S54 K55 M56 W189Y35-L52 HydrophobicContact CD1-CD1 3.56Å; Y35-L52 HydrophobicContact CE1-CD1 3.62Å; Y35-L52 HydrophobicContact CG-CD1 4.34Å; A36-L52 VanDerWaalsContact CA-CD2 3.44Å; A36-L52 HydrophobicContact CB-CD2 3.42Å; A36-L52 VanDerWaalsContact CB-CD2 3.42Å; L39-L52 HydrophobicContact CD1-CD1 3.92Å; L39-L52 HydrophobicContact CD1-CD2 4.18Å; Y48-L52 HydrophobicContact CD2-CD1 4.05Å; Y48-L52 HydrophobicContact CE2-CD1 4.21Å; Y48-L52 VanDerWaalsContact O-CB 3.23Å; Y48-L52 WeakPolarHBondContact O-CB 3.44Å; Y48-L52 PolarHBondContact O-N 3.03Å; K49-L52 PolarHBondContact O-N 3.33Å; L52-S54 PolarHBondContact O-N 2.96Å; L52-K55 PolarHBondContact O-N 2.98Å; L52-K55 VanDerWaalsContact O-N 3.14Å; L52-M56 HydrophobicContact CD2-CB 4.42Å; L52-M56 HydrophobicContact CD2-SD 4.03Å; L52-M56 HydrophobicContact CG-SD 3.92Å; L52-M56 WeakPolarHBondContact O-CB 3.48Å; L52-M56 PolarHBondContact O-N 2.91Å; L52-W189 HydrophobicContact CD1-CE3 3.51Å; L52-W189 HydrophobicContact CD1-CZ3 3.8Å; L52-W189 HydrophobicContact CG-CE3 4.45Å; L52-W189 HydrophobicContact CG-CZ3 4.43Å
53L94.3Very high93.5Very high46 Ų4661 Ų6124%0.24133%0.33CS..Hα-helixtrans-63.7-26.4178.7-66.2179.7000112.8A36 L39 K40 K49 D50 C58A36-L53 HydrophobicContact CB-CD2 4.45Å; A36-L53 VanDerWaalsContact O-CD2 3.31Å; A36-L53 WeakPolarHBondContact O-CD2 3.44Å; L39-L53 HydrophobicContact CB-CD2 4.22Å; K40-L53 HydrophobicContact CB-CD2 3.95Å; K49-L53 HydrophobicContact CG-CD1 3.93Å; K49-L53 HydrophobicContact CG-CG 4.36Å; K49-L53 VanDerWaalsContact O-CG 3.29Å; K49-L53 WeakPolarHBondContact O-CG 3.31Å; K49-L53 PolarHBondContact O-N 2.87Å; D50-L53 PolarHBondContact O-N 2.82Å; L53-C58 VanDerWaalsContact CD2-SG 3.52Å
54S94.7Very high93.8Very high92 Ų9259 Ų5964%0.64331%0.31SS*.Hα-helixtrans-78.3-23.1176.377.10000114.1D50 E51 L52D50-S54 WeakPolarHBondContact O-CB 3.43Å; D50-S54 PolarHBondContact O-N 2.77Å; E51-S54 PolarHBondContact O-N 3.16Å; E51-S54 PolarHBondContact O-OG 3.34Å; L52-S54 PolarHBondContact O-N 2.96Å
55K94.3Very high94.2Very high137 Ų13761.5 Ų61.560%0.59632%0.318SS*.Hα-helixtrans-108.8-19.9-172.9-72.2177.8177.7176.60114E51 L52 L188E51-K55 HydrophobicContact CG-CD 4.23Å; E51-K55 PolarHBondContact O-N 2.7Å; E51-K55 IonicContact OE1-NZ 2.63Å; E51-K55 PolarHBondContact OE1-NZ 3.38Å; L52-K55 PolarHBondContact O-N 2.98Å; L52-K55 VanDerWaalsContact O-N 3.14Å; K55-L188 HydrophobicContact CD-CD1 3.57Å
56M94.9Very high94.6Very high52 Ų5260.4 Ų60.426%0.25631%0.312SS..SBendtrans-115.5149.3-175.7-64.8-174.168.600112.1A36 L52 C58 W189A36-M56 HydrophobicContact CB-CB 3.62Å; L52-M56 HydrophobicContact CD2-CB 4.42Å; L52-M56 HydrophobicContact CD2-SD 4.03Å; L52-M56 HydrophobicContact CG-SD 3.92Å; L52-M56 WeakPolarHBondContact O-CB 3.48Å; L52-M56 PolarHBondContact O-N 2.91Å; M56-C58 PolarHBondContact O-N 3.44Å; M56-C58 PolarHBondContact O-SG 2.91Å; M56-W189 HydrophobicContact CE-CH2 4.26Å; M56-W189 HydrophobicContact CE-CZ3 4.2Å; M56-W189 HydrophobicContact SD-CH2 4.33Å; M56-W189 HydrophobicContact SD-CZ3 3.68Å
57E96.1Very high94.9Very high72 Ų7262.8 Ų62.834%0.33633%0.325SS..  trans-65126.6173.7-179.553.7-89.600110A36 D59 K62 V63 I67A36-E57 WeakPolarHBondContact CB-O 3.25Å; E57-D59 HydrophobicContact CG-CB 4.5Å; E57-D59 WeakPolarHBondContact OE1-CB 3.28Å; E57-D59 PolarHBondContact OE1-N 3.15Å; E57-K62 HydrophobicContact CG-CB 3.85Å; E57-K62 HydrophobicContact CG-CD 4.5Å; E57-K62 WeakPolarHBondContact OE2-CD 3.36Å; E57-K62 IonicContact OE2-NZ 3.35Å; E57-V63 HydrophobicContact CB-CG2 4.01Å; E57-V63 HydrophobicContact CG-CG2 3.88Å; E57-V63 WeakPolarHBondContact O-CG2 3.41Å; E57-I67 HydrophobicContact CB-CD1 3.81Å; E57-I67 HydrophobicContact CG-CD1 4.47Å
58C94.8Very high95.2Very high18 Ų1857.4 Ų57.412%0.12229%0.29CS..  trans-106.9-6.5-174.7-57.40000112.8A37 K40 L53 M56A37-C58 WeakPolarHBondContact CA-O 3.4Å; A37-C58 WeakPolarHBondContact CB-O 3.48Å; K40-C58 HydrophobicContact CB-CB 4.23Å; K40-C58 HydrophobicContact CD-CB 3.39Å; K40-C58 HydrophobicContact CG-CB 4.45Å; L53-C58 VanDerWaalsContact CD2-SG 3.52Å; M56-C58 PolarHBondContact O-N 3.44Å; M56-C58 PolarHBondContact O-SG 2.91Å
59D95.7Very high95.5Very high63 Ų6359.6 Ų59.634%0.33730%0.299SS..  trans-82.8107.8171.3-173.8-19.4000109.7E57 E61 K62 V63E57-D59 HydrophobicContact CG-CB 4.5Å; E57-D59 WeakPolarHBondContact OE1-CB 3.28Å; E57-D59 PolarHBondContact OE1-N 3.15Å; D59-E61 PolarHBondContact O-N 3.38Å; D59-E61 VanDerWaalsContact O-N 3.17Å; D59-E61 WeakPolarHBondContact OD1-CB 3.47Å; D59-E61 PolarHBondContact OD1-N 3.33Å; D59-K62 HydrophobicContact CB-CB 4.15Å; D59-K62 HydrophobicContact CB-CD 4.02Å; D59-K62 HydrophobicContact CB-CG 4.07Å; D59-K62 PolarHBondContact O-N 3.35Å; D59-K62 VanDerWaalsContact O-N 3.12Å; D59-V63 WeakPolarHBondContact O-CG2 3.33Å; D59-V63 PolarHBondContact O-N 3.06Å
60G95.1Very high95.6Very high11 Ų1158.1 Ų58.111%0.11330%0.295CS..Hα-helixtrans-57.8-29.4-178.500000113.7V64G60-V64 WeakPolarHBondContact O-CG2 3.43Å; G60-V64 PolarHBondContact O-N 2.84Å; G60-V64 VanDerWaalsContact O-N 3.15Å
61E96.2Very high95.6Very high100 Ų10058.3 Ų58.347%0.46730%0.303SS..Hα-helixtrans-68.3-46176.7179.5168.9-17700111.4D59 V64 K65 P91D59-E61 PolarHBondContact O-N 3.38Å; D59-E61 VanDerWaalsContact O-N 3.17Å; D59-E61 WeakPolarHBondContact OD1-CB 3.47Å; D59-E61 PolarHBondContact OD1-N 3.33Å; E61-V64 PolarHBondContact O-N 3.43Å; E61-K65 HydrophobicContact CG-CD 4.01Å; E61-K65 WeakPolarHBondContact O-CG 3.3Å; E61-K65 PolarHBondContact O-N 3.49Å; E61-K65 IonicContact OE1-NZ 2.69Å; E61-K65 PolarHBondContact OE1-NZ 3.5Å; E61-P91 HydrophobicContact CB-CG 4.03Å; E61-P91 HydrophobicContact CG-CG 3.89Å
62K96.8Very high95.5Very high93 Ų9355.9 Ų55.940%0.40430%0.301SS..Hα-helixtrans-67.1-38.8176.2-65.2-177.4-174.6175.40112.4E57 D59 V64 K65 D66 I67E57-K62 HydrophobicContact CG-CB 3.85Å; E57-K62 HydrophobicContact CG-CD 4.5Å; E57-K62 WeakPolarHBondContact OE2-CD 3.36Å; E57-K62 IonicContact OE2-NZ 3.35Å; D59-K62 HydrophobicContact CB-CB 4.15Å; D59-K62 HydrophobicContact CB-CD 4.02Å; D59-K62 HydrophobicContact CB-CG 4.07Å; D59-K62 PolarHBondContact O-N 3.35Å; D59-K62 VanDerWaalsContact O-N 3.12Å; K62-V64 VanDerWaalsContact C-N 3.28Å; K62-V64 PolarHBondContact O-N 3.06Å; K62-K65 PolarHBondContact O-N 3.41Å; K62-D66 WeakPolarHBondContact O-CA 3.3Å; K62-D66 VanDerWaalsContact O-CB 3.27Å; K62-D66 WeakPolarHBondContact O-CB 3.48Å; K62-D66 PolarHBondContact O-N 3.31Å; K62-I67 PolarHBondContact O-N 3.21Å
63V97.4Very high95.5Very high0 Ų065.6 Ų65.60%034%0.343CS..Iπ-helixtrans-57.4-45.5174.9173.90000110.3P33 L34 E57 D59 I67 I68P33-V63 HydrophobicContact CB-CG1 3.94Å; P33-V63 VanDerWaalsContact O-CG1 3.29Å; P33-V63 WeakPolarHBondContact O-CG1 3.37Å; L34-V63 HydrophobicContact CD2-CB 4.33Å; L34-V63 HydrophobicContact CD2-CG1 3.82Å; L34-V63 HydrophobicContact CG-CG1 4.43Å; E57-V63 HydrophobicContact CB-CG2 4.01Å; E57-V63 HydrophobicContact CG-CG2 3.88Å; E57-V63 WeakPolarHBondContact O-CG2 3.41Å; D59-V63 WeakPolarHBondContact O-CG2 3.33Å; D59-V63 PolarHBondContact O-N 3.06Å; V63-I67 HydrophobicContact CG2-CD1 4.35Å; V63-I67 VanDerWaalsContact O-CB 3.31Å; V63-I67 WeakPolarHBondContact O-CB 3.21Å; V63-I67 PolarHBondContact O-N 2.93Å; V63-I68 HydrophobicContact CG1-CD1 4.29Å; V63-I68 HydrophobicContact CG1-CG1 4.42Å; V63-I68 PolarHBondContact O-N 3.23Å
64V97.3Very high95.6Very high0 Ų067.9 Ų67.90%035%0.351CS..Iπ-helixtrans-67.1-52.7178.8174.70000111L34 G60 E61 K62 I68 Y69 P91 L94L34-V64 HydrophobicContact CD2-CG2 4.24Å; G60-V64 WeakPolarHBondContact O-CG2 3.43Å; G60-V64 PolarHBondContact O-N 2.84Å; G60-V64 VanDerWaalsContact O-N 3.15Å; E61-V64 PolarHBondContact O-N 3.43Å; K62-V64 VanDerWaalsContact C-N 3.28Å; K62-V64 PolarHBondContact O-N 3.06Å; V64-I68 HydrophobicContact CG2-CD1 4.29Å; V64-I68 WeakPolarHBondContact O-CB 3.24Å; V64-I68 PolarHBondContact O-N 3.46Å; V64-Y69 HydrophobicContact CG1-CD2 3.91Å; V64-Y69 HydrophobicContact CG1-CE2 3.96Å; V64-Y69 WeakPolarHBondContact O-CD2 3.5Å; V64-Y69 PolarHBondContact O-N 3.36Å; V64-P91 HydrophobicContact CB-CB 4.38Å; V64-P91 HydrophobicContact CB-CG 3.99Å; V64-P91 HydrophobicContact CG1-CB 4.08Å; V64-P91 HydrophobicContact CG1-CG 4.24Å; V64-P91 HydrophobicContact CG2-CG 4.35Å; V64-L94 HydrophobicContact CG1-CB 4.06Å; V64-L94 HydrophobicContact CG2-CB 4.02Å; V64-L94 HydrophobicContact CG2-CD1 4.3Å; V64-L94 HydrophobicContact CG2-CD2 4.12Å; V64-L94 HydrophobicContact CG2-CG 4.38Å
65K95.8Very high95.7Very high89 Ų8969.1 Ų69.139%0.38735%0.345SS..Iπ-helixtrans-73.2-44.6-172.3-68.8-179.8176.9175.10113.6E61 K62 Y69 G70E61-K65 HydrophobicContact CG-CD 4.01Å; E61-K65 WeakPolarHBondContact O-CG 3.3Å; E61-K65 PolarHBondContact O-N 3.49Å; E61-K65 IonicContact OE1-NZ 2.69Å; E61-K65 PolarHBondContact OE1-NZ 3.5Å; K62-K65 PolarHBondContact O-N 3.41Å; K65-Y69 CarbonylContact O-C 3.43Å; K65-G70 PolarHBondContact O-N 3.4Å
66D96.3Very high95.9Very high106 Ų10663 Ų6357%0.56732%0.318SS*.Iπ-helixtrans-99.5-22-167.7-54.8-31.6000113K62 G70K62-D66 WeakPolarHBondContact O-CA 3.3Å; K62-D66 VanDerWaalsContact O-CB 3.27Å; K62-D66 WeakPolarHBondContact O-CB 3.48Å; K62-D66 PolarHBondContact O-N 3.31Å; D66-G70 WeakPolarHBondContact O-CA 3.44Å
67I96.4Very high96Very high65 Ų6561 Ų6133%0.33331%0.308SS..Iπ-helixtrans-109-53.6-178.7-54.9179.3000111.3L30 E57 K62 V63 R77L30-I67 HydrophobicContact CD1-CG2 3.91Å; E57-I67 HydrophobicContact CB-CD1 3.81Å; E57-I67 HydrophobicContact CG-CD1 4.47Å; K62-I67 PolarHBondContact O-N 3.21Å; V63-I67 HydrophobicContact CG2-CD1 4.35Å; V63-I67 VanDerWaalsContact O-CB 3.31Å; V63-I67 WeakPolarHBondContact O-CB 3.21Å; V63-I67 PolarHBondContact O-N 2.93Å; I67-R77 PolarHBondContact O-NH1 2.98Å
68I97.6Very high96.1Very high0 Ų057.7 Ų57.70%029%0.292CS..Iπ-helixtrans-70.6-49.8-179-67.3176.2000110.5V3 P33 L34 V63 V64 R77 L94V3-I68 HydrophobicContact CG1-CG2 3.9Å; V3-I68 HydrophobicContact CG2-CG2 4.44Å; V3-I68 WeakPolarHBondContact CG2-O 3.28Å; P33-I68 HydrophobicContact CB-CG1 4.29Å; P33-I68 HydrophobicContact CG-CD1 4Å; P33-I68 HydrophobicContact CG-CG1 3.96Å; L34-I68 HydrophobicContact CG-CD1 4.48Å; V63-I68 HydrophobicContact CG1-CD1 4.29Å; V63-I68 HydrophobicContact CG1-CG1 4.42Å; V63-I68 PolarHBondContact O-N 3.23Å; V64-I68 HydrophobicContact CG2-CD1 4.29Å; V64-I68 WeakPolarHBondContact O-CB 3.24Å; V64-I68 PolarHBondContact O-N 3.46Å; I68-R77 VanDerWaalsContact O-CD 3.3Å; I68-R77 WeakPolarHBondContact O-CD 3.36Å; I68-R77 PolarHBondContact O-NH1 3.03Å; I68-L94 HydrophobicContact CD1-CD1 3.91Å
69Y97.2Very high96.3Very high52 Ų5256.8 Ų56.820%0.20429%0.286CS..SBendtrans-101.75.6178-64.2-76.6000114.2V3 H5 V64 K65 E93 E97V3-Y69 HydrophobicContact CB-CD1 4.38Å; V3-Y69 HydrophobicContact CB-CE1 3.83Å; V3-Y69 HydrophobicContact CG2-CD1 3.51Å; V3-Y69 HydrophobicContact CG2-CE1 3.48Å; V3-Y69 VanDerWaalsContact CG2-CE1 3.48Å; V3-Y69 HydrophobicContact CG2-CG 4.4Å; H5-Y69 AromaticContact NE2-CZ 3.86Å; H5-Y69 PolarHBondContact NE2-OH 3.4Å; V64-Y69 HydrophobicContact CG1-CD2 3.91Å; V64-Y69 HydrophobicContact CG1-CE2 3.96Å; V64-Y69 WeakPolarHBondContact O-CD2 3.5Å; V64-Y69 PolarHBondContact O-N 3.36Å; K65-Y69 CarbonylContact O-C 3.43Å; Y69-E93 HydrophobicContact CE2-CB 4.34Å; Y69-E93 PolarHBondContact OH-O 3.28Å; Y69-E97 HydrophobicContact CE1-CB 3.78Å; Y69-E97 PolarHBondContact OH-O 3.34Å
70G95.1Very high96.4Very high7 Ų753.9 Ų53.97%0.07227%0.27CS..SBendtrans-63.4171.7175.300000113.5K65 D66 G72 R77K65-G70 PolarHBondContact O-N 3.4Å; D66-G70 WeakPolarHBondContact O-CA 3.44Å; G70-G72 PolarHBondContact O-N 3.44Å; G70-R77 PolarHBondContact O-NH1 2.84Å; G70-R77 PolarHBondContact O-NH2 3.11Å
71P94.1Very high96.6Very high135 Ų13553.3 Ų53.388%0.87727%0.265SS*.  trans-53.9135.1179.6-23.933.3000112.4R77P71-R77 PolarHBondContact O-NH2 2.83Å
72G91.8Very high96.6Very high35 Ų3549 Ų4936%0.36125%0.245SC..  trans-127.8162.5177.800000112.2E28 G70E28-G72 WeakPolarHBondContact OE1-CA 3.45Å; G70-G72 PolarHBondContact O-N 3.44Å
73K93.7Very high96.7Very high204 Ų20444.5 Ų44.589%0.88723%0.226SC*.SBendtrans-97.9-18.6-178.6-65.7177.5-176.7172.50112.7E28E28-K73 PolarHBondContact OE2-N 3.1Å
74K96.2Very high96.5Very high94 Ų9445.2 Ų45.241%0.40923%0.229SC..SBendtrans-107.1167.2-175.4-63.9-66.9-167.7170.30111.3D25 E28D25-K74 WeakPolarHBondContact O-CD 3.25Å; D25-K74 WeakPolarHBondContact O-CE 3.46Å; D25-K74 PolarHBondContact O-NZ 3.16Å; E28-K74 HydrophobicContact CB-CB 4.3Å; E28-K74 HydrophobicContact CB-CG 4.06Å; E28-K74 HydrophobicContact CG-CB 4.17Å; E28-K74 HydrophobicContact CG-CG 4.42Å; E28-K74 PolarHBondContact OE2-N 2.84Å
75K96.9Very high96.5Very high119 Ų11945.4 Ų45.452%0.51723%0.229SC..SBendtrans-67.7-43.3-179.8-175.6179.4176.6-159.80110.5M1 E2 D26M1-K75 CarbonylContact C-O 3.52Å; M1-K75 WeakPolarHBondContact CA-O 3.35Å; M1-K75 WeakPolarHBondContact CG-O 3.04Å; E2-K75 PolarHBondContact N-O 3.29Å; D26-K75 PolarHBondContact O-N 3.28Å
76Y97.7Very high96.4Very high7 Ų743.8 Ų43.83%0.02722%0.221CC..EExtended strand (participates in β ladder)trans-113.4158.2180-59.1-77.2000111.4E2 I4 D26 I27 E28 I169E2-Y76 HydrophobicContact CB-CD1 3.71Å; E2-Y76 HydrophobicContact CB-CE1 3.93Å; E2-Y76 HydrophobicContact CG-CE1 4.44Å; E2-Y76 CarbonylContact O-C 3.58Å; E2-Y76 WeakPolarHBondContact O-CA 3.23Å; I4-Y76 HydrophobicContact CD1-CD1 4.23Å; I4-Y76 HydrophobicContact CD1-CG 4.45Å; D26-Y76 HydrophobicContact CB-CD2 4.41Å; D26-Y76 PolarHBondContact O-N 3.33Å; D26-Y76 WeakPolarHBondContact OD2-CE2 3.4Å; I27-Y76 WeakPolarHBondContact CA-O 2.95Å; E28-Y76 PolarHBondContact N-O 3.23Å; E28-Y76 VanDerWaalsContact N-O 3.13Å; Y76-I169 HydrophobicContact CD1-CG2 4.26Å; Y76-I169 HydrophobicContact CE1-CG2 3.69Å; Y76-I169 HydrophobicContact CE2-CG2 4.19Å
77R98.2Very high96.2Very high12 Ų1240.5 Ų40.55%0.04520%0.203CC..EExtended strand (participates in β ladder)trans-130121.8165.9177.3179.2-70.7157.3-2.8110.1M1 E2 V3 I4 E28 L30 I67 I68 G70 P71M1-R77 HydrophobicContact CE-CB 3.89Å; M1-R77 HydrophobicContact CG-CB 4.23Å; M1-R77 HydrophobicContact SD-CB 3.6Å; M1-R77 VanDerWaalsContact SD-CB 3.6Å; M1-R77 VanDerWaalsContact SD-CZ 3.53Å; E2-R77 PolarHBondContact O-N 3.05Å; V3-R77 CarbonylContact C-O 3.48Å; V3-R77 WeakPolarHBondContact CA-O 3.25Å; I4-R77 PolarHBondContact N-O 3.19Å; E28-R77 HydrophobicContact CG-CB 4.03Å; E28-R77 HydrophobicContact CG-CG 4.12Å; E28-R77 CarbonylContact O-C 3.49Å; E28-R77 VanDerWaalsContact O-CA 3.27Å; E28-R77 WeakPolarHBondContact O-CA 3.28Å; E28-R77 IonicContact OE1-CZ 2.79Å; E28-R77 IonicContact OE1-NE 3.97Å; E28-R77 PolarHBondContact OE1-NE 2.68Å; E28-R77 IonicContact OE1-NH2 3.11Å; E28-R77 PolarHBondContact OE1-NH2 3.26Å; L30-R77 HydrophobicContact CD1-CG 4.31Å; L30-R77 HydrophobicContact CG-CG 4.3Å; I67-R77 PolarHBondContact O-NH1 2.98Å; I68-R77 VanDerWaalsContact O-CD 3.3Å; I68-R77 WeakPolarHBondContact O-CD 3.36Å; I68-R77 PolarHBondContact O-NH1 3.03Å; G70-R77 PolarHBondContact O-NH1 2.84Å; G70-R77 PolarHBondContact O-NH2 3.11Å; P71-R77 PolarHBondContact O-NH2 2.83Å
78F98.4Very high95.8Very high1 Ų146 Ų460%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-91.8124.7175.8-178.5-90.2000110.2I4 A6 L17 M18 F21 I27 E28 V29 L30 K80 F101I4-F78 HydrophobicContact CB-CD2 4.49Å; I4-F78 HydrophobicContact CG2-CD2 4.18Å; I4-F78 CarbonylContact O-C 3.53Å; I4-F78 WeakPolarHBondContact O-CA 3.01Å; A6-F78 HydrophobicContact CB-CE1 4.02Å; A6-F78 HydrophobicContact CB-CE2 3.65Å; A6-F78 HydrophobicContact CB-CZ 3.31Å; L17-F78 HydrophobicContact CG-CZ 4.36Å; M18-F78 HydrophobicContact CB-CE1 3.92Å; M18-F78 HydrophobicContact CG-CD1 4.3Å; M18-F78 HydrophobicContact CG-CE1 4.17Å; F21-F78 HydrophobicContact CB-CB 4.37Å; F21-F78 HydrophobicContact CB-CD1 4.45Å; F21-F78 HydrophobicContact CB-CD2 3.92Å; F21-F78 HydrophobicContact CB-CE2 4.23Å; F21-F78 HydrophobicContact CB-CG 4.02Å; F21-F78 AromaticContact CD1-CD2 3.66Å; F21-F78 HydrophobicContact CD1-CD2 3.66Å; F21-F78 HydrophobicContact CD1-CE2 4.11Å; F21-F78 HydrophobicContact CD1-CG 4.41Å; F21-F78 AromaticContact CD2-CD2 3.86Å; F21-F78 HydrophobicContact CD2-CD2 3.86Å; F21-F78 AromaticContact CD2-CE2 3.47Å; F21-F78 HydrophobicContact CD2-CE2 3.47Å; F21-F78 VanDerWaalsContact CD2-CE2 3.47Å; F21-F78 HydrophobicContact CD2-CZ 4.07Å; F21-F78 HydrophobicContact CE1-CD2 4.04Å; F21-F78 HydrophobicContact CE1-CE2 4.3Å; F21-F78 HydrophobicContact CE2-CD2 4.26Å; F21-F78 AromaticContact CE2-CE2 3.72Å; F21-F78 HydrophobicContact CE2-CE2 3.72Å; F21-F78 AromaticContact CG-CD2 3.53Å; F21-F78 HydrophobicContact CG-CD2 3.53Å; F21-F78 AromaticContact CG-CE2 3.67Å; F21-F78 HydrophobicContact CG-CE2 3.67Å; F21-F78 HydrophobicContact CG-CG 4.15Å; F21-F78 HydrophobicContact CG-CZ 4.4Å; F21-F78 HydrophobicContact CZ-CD2 4.33Å; F21-F78 HydrophobicContact CZ-CE2 4.12Å; I27-F78 HydrophobicContact CD1-CB 3.62Å; I27-F78 HydrophobicContact CG1-CB 4.07Å; E28-F78 PolarHBondContact O-N 2.84Å; V29-F78 CarbonylContact C-O 3.55Å; V29-F78 WeakPolarHBondContact CA-O 3.07Å; V29-F78 HydrophobicContact CB-CB 4.43Å; V29-F78 HydrophobicContact CB-CD1 4.48Å; V29-F78 HydrophobicContact CG1-CB 4.04Å; V29-F78 HydrophobicContact CG1-CD1 4.45Å; L30-F78 PolarHBondContact N-O 3.2Å; F78-K80 HydrophobicContact CE1-CB 3.97Å; F78-F101 AromaticContact CE2-CE1 3.78Å; F78-F101 HydrophobicContact CE2-CE1 3.78Å; F78-F101 AromaticContact CE2-CZ 3.78Å; F78-F101 HydrophobicContact CE2-CZ 3.78Å; F78-F101 HydrophobicContact CZ-CZ 4.16Å
79C98.5Very high95.4Very high0 Ų050.1 Ų50.10%027%0.274CS..EExtended strand (participates in β ladder)trans-110.9111.9174.7-60.60000109.4I4 A6 H81I4-C79 PolarHBondContact O-N 2.84Å; A6-C79 PolarHBondContact N-O 2.84Å; C79-H81 WeakPolarHBondContact CB-NE2 3.47Å; C79-H81 PolarHBondContact O-CD2 2.88Å; C79-H81 PolarHBondContact O-N 3.26Å
80K98.3Very high95.3Very high1 Ų149 Ų490%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-76.4116170174.4172.8158.7-820108.9S14 T15 M18 L30 D31 E32 F78 Y194S14-K80 WeakPolarHBondContact OG-CE 3.22Å; T15-K80 VanDerWaalsContact OG1-CE 3.27Å; T15-K80 WeakPolarHBondContact OG1-CE 3.5Å; M18-K80 HydrophobicContact CB-CB 4.38Å; M18-K80 HydrophobicContact CB-CD 3.94Å; M18-K80 HydrophobicContact CG-CB 4.42Å; M18-K80 HydrophobicContact CG-CD 4.48Å; M18-K80 HydrophobicContact SD-CB 4.11Å; M18-K80 HydrophobicContact SD-CD 3.92Å; L30-K80 PolarHBondContact O-N 3.39Å; D31-K80 WeakPolarHBondContact OD1-CD 3.3Å; D31-K80 IonicContact OD1-NZ 2.74Å; D31-K80 PolarHBondContact OD1-NZ 3.19Å; E32-K80 WeakPolarHBondContact CA-O 3.48Å; E32-K80 HydrophobicContact CG-CG 4.49Å; E32-K80 VanDerWaalsContact CG-NZ 3.26Å; E32-K80 PolarHBondContact N-O 3.24Å; E32-K80 IonicContact OE1-NZ 2.98Å; E32-K80 PolarHBondContact OE1-NZ 2.74Å; F78-K80 HydrophobicContact CE1-CB 3.97Å; K80-Y194 PolarHBondContact NZ-OH 3.18Å
81H98.2Very high95.3Very high0 Ų049.6 Ų49.60%028%0.275CS..EExtended strand (participates in β ladder)trans-114.8139.9176.9-65.8-66.6000111.5H5 A6 W7 S8 C79H5-H81 AromaticContact CE1-NE2 3.81Å; H5-H81 AromaticContact ND1-CD2 3.51Å; H5-H81 AromaticContact ND1-NE2 3.06Å; H5-H81 PolarHBondContact ND1-NE2 3.03Å; A6-H81 PolarHBondContact O-N 3.4Å; A6-H81 VanDerWaalsContact O-O 3.13Å; W7-H81 HydrophobicContact CD2-CB 3.93Å; W7-H81 HydrophobicContact CE3-CB 3.24Å; W7-H81 AromaticContact CE3-CG 3.89Å; W7-H81 HydrophobicContact CH2-CB 4.13Å; W7-H81 AromaticContact CH2-CG 3.88Å; W7-H81 HydrophobicContact CZ3-CB 3.37Å; W7-H81 AromaticContact CZ3-CG 3.63Å; S8-H81 PolarHBondContact N-O 2.8Å; S8-H81 PolarHBondContact OG-O 2.77Å; S8-H81 VanDerWaalsContact OG-O 3.11Å; C79-H81 WeakPolarHBondContact CB-NE2 3.47Å; C79-H81 PolarHBondContact O-CD2 2.88Å; C79-H81 PolarHBondContact O-N 3.26Å
82I97.4Very high95.2Very high8 Ų847.2 Ų47.24%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-94.8125.2161.7-55.6-57.8000107.7S8 P10 E32 K84 Q85S8-I82 CarbonylContact O-C 3.42Å; S8-I82 WeakPolarHBondContact O-CA 3.44Å; P10-I82 HydrophobicContact CG-CG2 3.79Å; E32-I82 VanDerWaalsContact CD-CG1 3.43Å; E32-I82 HydrophobicContact CG-CG1 4.01Å; E32-I82 WeakPolarHBondContact OE2-CG1 3.34Å; I82-K84 VanDerWaalsContact C-N 3.28Å; I82-K84 HydrophobicContact CG2-CG 4.06Å; I82-K84 PolarHBondContact O-N 2.81Å; I82-K84 VanDerWaalsContact O-N 3.12Å; I82-Q85 HydrophobicContact CB-CG 4.27Å; I82-Q85 VanDerWaalsContact O-CB 3.26Å; I82-Q85 WeakPolarHBondContact O-CB 3.24Å; I82-Q85 PolarHBondContact O-N 2.74Å
83S97.3Very high95.4Very high0 Ų048.3 Ų48.30%026%0.257CS..G310 helixtrans-51.5-40.7-17054.60000114.6S8 Q85 R86 G126S8-S83 PolarHBondContact O-N 2.9Å; S8-S83 PolarHBondContact O-OG 2.88Å; S83-Q85 PolarHBondContact O-N 2.68Å; S83-Q85 VanDerWaalsContact O-N 3.12Å; S83-R86 VanDerWaalsContact O-CB 3.29Å; S83-R86 WeakPolarHBondContact O-CB 3.37Å; S83-R86 PolarHBondContact O-N 3.37Å; S83-G126 WeakPolarHBondContact CB-O 3.3Å; S83-G126 WeakPolarHBondContact OG-CA 3.33Å; S83-G126 PolarHBondContact OG-O 3.34Å
84K94.7Very high95.5Very high15 Ų1538.7 Ų38.77%0.06522%0.215CC..G310 helixtrans-63.3-16.8178.674.6-176.5178.7-176.20114.5F38 I82 R86 E124F38-K84 VanDerWaalsContact CD2-O 3.26Å; F38-K84 WeakPolarHBondContact CD2-O 3.32Å; F38-K84 HydrophobicContact CE2-CG 4.19Å; F38-K84 WeakPolarHBondContact CE2-O 3.49Å; F38-K84 HydrophobicContact CZ-CD 4.22Å; F38-K84 HydrophobicContact CZ-CG 4.19Å; I82-K84 VanDerWaalsContact C-N 3.28Å; I82-K84 HydrophobicContact CG2-CG 4.06Å; I82-K84 PolarHBondContact O-N 2.81Å; I82-K84 VanDerWaalsContact O-N 3.12Å; K84-R86 PolarHBondContact O-N 3.44Å; K84-E124 PolarHBondContact NZ-O 3.13Å; K84-E124 IonicContact NZ-OE1 3Å; K84-E124 PolarHBondContact NZ-OE1 2.85Å; K84-E124 IonicContact NZ-OE2 3.15Å; K84-E124 PolarHBondContact NZ-OE2 2.91Å
85Q95.8Very high95.5Very high3 Ų334.9 Ų34.91%0.01420%0.199CC..G310 helixtrans-79.1-9.3176.1-61.6165.7-13.300112.6E32 L34 Y35 F38 I82 S83 L87E32-Q85 PolarHBondContact OE2-NE2 3.03Å; L34-Q85 HydrophobicContact CB-CB 4.09Å; Y35-Q85 HydrophobicContact CD2-CG 4.44Å; F38-Q85 HydrophobicContact CB-CB 4.08Å; F38-Q85 HydrophobicContact CB-CG 3.95Å; F38-Q85 HydrophobicContact CD1-CG 4.32Å; F38-Q85 HydrophobicContact CD2-CB 4.49Å; F38-Q85 HydrophobicContact CD2-CG 4.35Å; F38-Q85 HydrophobicContact CG-CB 4.35Å; F38-Q85 HydrophobicContact CG-CG 3.94Å; I82-Q85 HydrophobicContact CB-CG 4.27Å; I82-Q85 VanDerWaalsContact O-CB 3.26Å; I82-Q85 WeakPolarHBondContact O-CB 3.24Å; I82-Q85 PolarHBondContact O-N 2.74Å; S83-Q85 PolarHBondContact O-N 2.68Å; S83-Q85 VanDerWaalsContact O-N 3.12Å; Q85-L87 VanDerWaalsContact C-N 3.27Å; Q85-L87 PolarHBondContact O-N 3.36Å
86R95Very high95.4Very high56 Ų5632.3 Ų32.321%0.21120%0.196CC..  trans-74.983.3170.9-172.9-174.6172-144-3.2109.7W7 S83 K84 M95 I133 D136W7-R86 HydrophobicContact CH2-CB 4.3Å; W7-R86 HydrophobicContact CH2-CG 4.39Å; W7-R86 HydrophobicContact CZ3-CB 4.01Å; S83-R86 VanDerWaalsContact O-CB 3.29Å; S83-R86 WeakPolarHBondContact O-CB 3.37Å; S83-R86 PolarHBondContact O-N 3.37Å; K84-R86 PolarHBondContact O-N 3.44Å; R86-M95 PolarHBondContact NE-SD 3.46Å; R86-M95 VanDerWaalsContact NE-SD 3.36Å; R86-I133 HydrophobicContact CB-CD1 4.46Å; R86-I133 VanDerWaalsContact CD-CG1 3.43Å; R86-D136 IonicContact CZ-OD2 2.61Å; R86-D136 IonicContact NH1-OD2 3.48Å; R86-D136 PolarHBondContact NH1-OD2 2.88Å; R86-D136 IonicContact NH2-OD2 3.62Å; R86-D136 PolarHBondContact NH2-OD2 3.44Å
87L92.4Very high95.2Very high36 Ų3636.5 Ų36.519%0.18822%0.216CC..  trans-69.4152.7174.2-60.6176.7000111.6F38 T42 Q85 L90F38-L87 HydrophobicContact CD2-CD2 3.88Å; T42-L87 HydrophobicContact CG2-CD2 3.97Å; Q85-L87 VanDerWaalsContact C-N 3.27Å; Q85-L87 PolarHBondContact O-N 3.36Å; L87-L90 HydrophobicContact CB-CD1 4.39Å; L87-L90 HydrophobicContact CB-CG 4.34Å; L87-L90 WeakPolarHBondContact O-CG 3.31Å
88L87.6Confident95.1Very high181 Ų18138 Ų3895%0.94824%0.235SC*.THydrogen-bonded Turntrans-64.4141.2166.1-64.9174.6000110
89G89.1Confident95.1Very high86 Ų8639.8 Ų39.889%0.88724%0.243SC*.THydrogen-bonded Turntrans88.70.6178.900000115.3
90L94.6Very high95.1Very high30 Ų3040.6 Ų40.616%0.15725%0.247CC..  trans-62148.4166.3-67.8173.5000110.4L34 L87 L94L34-L90 HydrophobicContact CD1-CD1 3.97Å; L34-L90 HydrophobicContact CD2-CD1 4.03Å; L34-L90 HydrophobicContact CD2-CD2 4.02Å; L87-L90 HydrophobicContact CB-CD1 4.39Å; L87-L90 HydrophobicContact CB-CG 4.34Å; L87-L90 WeakPolarHBondContact O-CG 3.31Å; L90-L94 HydrophobicContact CB-CD2 4.04Å; L90-L94 HydrophobicContact CD1-CD2 3.65Å; L90-L94 HydrophobicContact CG-CD2 4.44Å
91P95.1Very high95.1Very high19 Ų1940.5 Ų40.512%0.12325%0.246CC..  trans-54.8141.6179.3-24.732.7000112.7E61 V64 E93 L94E61-P91 HydrophobicContact CB-CG 4.03Å; E61-P91 HydrophobicContact CG-CG 3.89Å; V64-P91 HydrophobicContact CB-CB 4.38Å; V64-P91 HydrophobicContact CB-CG 3.99Å; V64-P91 HydrophobicContact CG1-CB 4.08Å; V64-P91 HydrophobicContact CG1-CG 4.24Å; V64-P91 HydrophobicContact CG2-CG 4.35Å; P91-E93 WeakPolarHBondContact CB-OE2 3.47Å; P91-E93 PolarHBondContact O-N 3.5Å; P91-L94 VanDerWaalsContact O-CB 3.32Å; P91-L94 WeakPolarHBondContact O-CB 3.07Å; P91-L94 PolarHBondContact O-N 2.91Å
92S93.1Very high95.1Very high85 Ų8540.5 Ų40.559%0.59425%0.246SC*.THydrogen-bonded Turntrans-62.1-27.9-176.152.90000112.9L94 M95 S96S92-L94 PolarHBondContact O-N 3.28Å; S92-M95 PolarHBondContact O-N 2.86Å; S92-S96 PolarHBondContact O-N 3.39Å; S92-S96 PolarHBondContact O-OG 3.02Å
93E94.1Very high95.1Very high57 Ų5740.2 Ų40.227%0.26625%0.245SC..Hα-helixtrans-54.3-33.8177.9-60.888.9155.100111.6Y69 P91 M95 S96 E97Y69-E93 HydrophobicContact CE2-CB 4.34Å; Y69-E93 PolarHBondContact OH-O 3.28Å; P91-E93 WeakPolarHBondContact CB-OE2 3.47Å; P91-E93 PolarHBondContact O-N 3.5Å; E93-M95 PolarHBondContact O-N 3.28Å; E93-M95 VanDerWaalsContact O-N 3.11Å; E93-S96 WeakPolarHBondContact CA-OG 3.46Å; E93-S96 PolarHBondContact O-N 2.94Å; E93-E97 HydrophobicContact CB-CG 4.45Å; E93-E97 WeakPolarHBondContact O-CB 3.35Å; E93-E97 PolarHBondContact O-N 2.97Å
94L96.7Very high95.1Very high2 Ų240.2 Ų40.21%0.0125%0.245CC..Hα-helixtrans-56.4-27.9175.217861.6000113.6W7 L34 V64 I68 L90 P91 S92 H100W7-L94 HydrophobicContact CH2-CD1 4.32Å; W7-L94 HydrophobicContact CH2-CD2 4.24Å; W7-L94 HydrophobicContact CH2-CG 4.32Å; W7-L94 HydrophobicContact CZ2-CD1 4.32Å; W7-L94 HydrophobicContact CZ2-CG 4.34Å; L34-L94 HydrophobicContact CD1-CD1 4.44Å; L34-L94 HydrophobicContact CD1-CD2 3.8Å; V64-L94 HydrophobicContact CG1-CB 4.06Å; V64-L94 HydrophobicContact CG2-CB 4.02Å; V64-L94 HydrophobicContact CG2-CD1 4.3Å; V64-L94 HydrophobicContact CG2-CD2 4.12Å; V64-L94 HydrophobicContact CG2-CG 4.38Å; I68-L94 HydrophobicContact CD1-CD1 3.91Å; L90-L94 HydrophobicContact CB-CD2 4.04Å; L90-L94 HydrophobicContact CD1-CD2 3.65Å; L90-L94 HydrophobicContact CG-CD2 4.44Å; P91-L94 VanDerWaalsContact O-CB 3.32Å; P91-L94 WeakPolarHBondContact O-CB 3.07Å; P91-L94 PolarHBondContact O-N 2.91Å; S92-L94 PolarHBondContact O-N 3.28Å; L94-H100 PolarHBondContact O-CE1 3.07Å
95M95.6Very high95.1Very high14 Ų1440.8 Ų40.87%0.06925%0.247CC..Hα-helixtrans-110.2-26.7-179.5-60.5-55-56.100112.7W7 R86 S92 E93 H100 I133 L137 M140W7-M95 HydrophobicContact CH2-SD 4.5Å; W7-M95 HydrophobicContact CZ2-SD 3.82Å; R86-M95 PolarHBondContact NE-SD 3.46Å; R86-M95 VanDerWaalsContact NE-SD 3.36Å; S92-M95 PolarHBondContact O-N 2.86Å; E93-M95 PolarHBondContact O-N 3.28Å; E93-M95 VanDerWaalsContact O-N 3.11Å; M95-H100 PolarHBondContact O-NE2 3.33Å; M95-I133 HydrophobicContact CE-CG2 4.11Å; M95-L137 HydrophobicContact CE-CD1 4.04Å; M95-L137 HydrophobicContact CE-CD2 3.82Å; M95-L137 HydrophobicContact CE-CG 3.66Å; M95-L137 WeakPolarHBondContact O-CD2 3.44Å; M95-M140 HydrophobicContact CB-CE 4.39Å; M95-M140 HydrophobicContact CB-SD 4.21Å; M95-M140 WeakPolarHBondContact O-CE 3.31Å
96S94.6Very high95Very high66 Ų6641.8 Ų41.846%0.46225%0.252SS..Hα-helixtrans-89.6-18.2-177.163.60000114.3S92 E93 M140S92-S96 PolarHBondContact O-N 3.39Å; S92-S96 PolarHBondContact O-OG 3.02Å; E93-S96 WeakPolarHBondContact CA-OG 3.46Å; E93-S96 PolarHBondContact O-N 2.94Å; S96-M140 VanDerWaalsContact CB-CE 3.4Å
97E95.1Very high94.9Very high94 Ų9439.2 Ų39.244%0.43924%0.242SC..SBendtrans-117.5153.8-178.9-61.2-170-174.500112.3Y69 E93 H100Y69-E97 HydrophobicContact CE1-CB 3.78Å; Y69-E97 PolarHBondContact OH-O 3.34Å; E93-E97 HydrophobicContact CB-CG 4.45Å; E93-E97 WeakPolarHBondContact O-CB 3.35Å; E93-E97 PolarHBondContact O-N 2.97Å; E97-H100 PolarHBondContact O-NE2 3.08Å
98G95.9Very high94.9Very high44 Ų4440.8 Ų40.845%0.45425%0.251SS..SBendtrans81.5-177.5179.800000113.5V3V3-G98 CarbonylContact O-C 3.51Å; V3-G98 WeakPolarHBondContact O-CA 3.44Å
99K97.5Very high95.1Very high39 Ų3935.4 Ų35.417%0.1722%0.223CC..EExtended strand (participates in β ladder)trans-105.8129.8-176.3-62.2171172.8-83.50108.7E2 V3 I4 H5 L167 E168E2-K99 WeakPolarHBondContact OE2-CE 3.25Å; V3-K99 PolarHBondContact O-N 2.8Å; I4-K99 CarbonylContact C-O 3.57Å; I4-K99 WeakPolarHBondContact CA-O 3.42Å; I4-K99 HydrophobicContact CG1-CB 4.44Å; H5-K99 PolarHBondContact N-O 2.91Å; K99-L167 HydrophobicContact CB-CD2 3.85Å; K99-L167 WeakPolarHBondContact CD-O 3.37Å; K99-L167 WeakPolarHBondContact CE-O 3.32Å; K99-L167 PolarHBondContact NZ-O 3.38Å; K99-E168 IonicContact NZ-OE2 2.71Å; K99-E168 PolarHBondContact NZ-OE2 3.19Å
100H98.2Very high95.2Very high16 Ų1631.3 Ų31.37%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-113.7138.4-175.9-64.9-85000111.7H5 W7 L94 M95 E97 L137 P144 A145H5-H100 WeakPolarHBondContact CB-ND1 3.48Å; H5-H100 AromaticContact CD2-CE1 3.41Å; H5-H100 PolarHBondContact CD2-CE1 2.69Å; H5-H100 VanDerWaalsContact CD2-CE1 3.41Å; H5-H100 AromaticContact CD2-ND1 3.87Å; H5-H100 AromaticContact CD2-NE2 3.98Å; H5-H100 AromaticContact CG-CE1 3.46Å; H5-H100 VanDerWaalsContact CG-CE1 3.46Å; H5-H100 AromaticContact CG-ND1 3.62Å; W7-H100 AromaticContact CD1-ND1 3.9Å; W7-H100 AromaticContact NE1-CE1 3.92Å; W7-H100 AromaticContact NE1-ND1 3.11Å; W7-H100 PolarHBondContact NE1-ND1 2.61Å; W7-H100 VanDerWaalsContact NE1-ND1 3.11Å; L94-H100 PolarHBondContact O-CE1 3.07Å; M95-H100 PolarHBondContact O-NE2 3.33Å; E97-H100 PolarHBondContact O-NE2 3.08Å; H100-L137 HydrophobicContact CB-CD1 3.59Å; H100-L137 HydrophobicContact CB-CD2 4.3Å; H100-P144 HydrophobicContact CB-CB 4.05Å; H100-P144 WeakPolarHBondContact O-CA 3.33Å; H100-P144 WeakPolarHBondContact O-CB 3.36Å; H100-A145 PolarHBondContact O-N 2.82Å
101F98.1Very high95.1Very high0 Ų029.9 Ų29.90%017%0.173CC..EExtended strand (participates in β ladder)trans-138.7157163.175.4-87.4000111I4 H5 A6 W7 L17 F78 L103 A145 I147 L163 L167I4-F101 HydrophobicContact CG2-CD1 4.07Å; I4-F101 HydrophobicContact CG2-CE1 3.9Å; H5-F101 PolarHBondContact O-N 2.64Å; A6-F101 HydrophobicContact CB-CD1 4.38Å; A6-F101 HydrophobicContact CB-CE1 3.47Å; A6-F101 VanDerWaalsContact CB-CE1 3.47Å; A6-F101 HydrophobicContact CB-CE2 3.9Å; A6-F101 HydrophobicContact CB-CZ 3.18Å; W7-F101 PolarHBondContact N-O 2.74Å; L17-F101 HydrophobicContact CD2-CE2 3.48Å; L17-F101 VanDerWaalsContact CD2-CE2 3.48Å; L17-F101 HydrophobicContact CD2-CZ 3.51Å; F78-F101 AromaticContact CE2-CE1 3.78Å; F78-F101 HydrophobicContact CE2-CE1 3.78Å; F78-F101 AromaticContact CE2-CZ 3.78Å; F78-F101 HydrophobicContact CE2-CZ 3.78Å; F78-F101 HydrophobicContact CZ-CZ 4.16Å; F101-L103 HydrophobicContact CE2-CB 4.39Å; F101-A145 CarbonylContact C-O 3.39Å; F101-A145 WeakPolarHBondContact CA-O 3.47Å; F101-A145 HydrophobicContact CB-CB 3.98Å; F101-A145 WeakPolarHBondContact CB-O 3.22Å; F101-I147 HydrophobicContact CD2-CD1 4.32Å; F101-I147 HydrophobicContact CD2-CG1 4.14Å; F101-I147 HydrophobicContact CE2-CD1 4.11Å; F101-I147 HydrophobicContact CE2-CG1 4.36Å; F101-L163 HydrophobicContact CB-CD1 3.87Å; F101-L163 HydrophobicContact CD1-CD1 4.15Å; F101-L163 HydrophobicContact CD2-CD1 3.98Å; F101-L163 HydrophobicContact CD2-CD2 4.32Å; F101-L163 HydrophobicContact CE1-CD2 4.37Å; F101-L163 HydrophobicContact CE2-CD2 4.1Å; F101-L163 HydrophobicContact CG-CD1 3.74Å; F101-L163 HydrophobicContact CZ-CD2 4.1Å; F101-L167 HydrophobicContact CB-CD2 4.5Å; F101-L167 HydrophobicContact CD1-CD1 4.05Å; F101-L167 HydrophobicContact CD1-CD2 4.27Å; F101-L167 HydrophobicContact CE1-CD1 4.38Å
102I98.4Very high94.9Very high0 Ų030.3 Ų30.30%018%0.176CC..EExtended strand (participates in β ladder)trans-114125.9178.2-63.8173.8000109W7 I104 L130 I133 Y134 P144 A145 I146 I147 L231W7-I102 HydrophobicContact CB-CG1 4.21Å; W7-I102 CarbonylContact O-C 3.56Å; W7-I102 WeakPolarHBondContact O-CA 3.35Å; I102-I104 HydrophobicContact CG2-CG2 3.71Å; I102-L130 HydrophobicContact CG2-CD1 4.33Å; I102-L130 HydrophobicContact CG2-CD2 3.81Å; I102-I133 HydrophobicContact CD1-CG2 4.17Å; I102-I133 HydrophobicContact CG1-CG2 4.42Å; I102-Y134 HydrophobicContact CD1-CD2 4.22Å; I102-Y134 HydrophobicContact CD1-CG 4.45Å; I102-P144 HydrophobicContact CD1-CG 3.75Å; I102-P144 HydrophobicContact CG1-CB 4.37Å; I102-P144 HydrophobicContact CG1-CG 4.09Å; I102-A145 PolarHBondContact N-O 2.79Å; I102-I146 HydrophobicContact CB-CG1 4.38Å; I102-I146 WeakPolarHBondContact O-CA 3.49Å; I102-I147 PolarHBondContact O-N 3.14Å; I102-L231 HydrophobicContact CD1-CD2 4.32Å
103L97.8Very high94.5Very high2 Ų227.3 Ų27.31%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-99108170.4176.763.9000109.2W7 S12 L17 F101 I147 A149 L152W7-L103 PolarHBondContact O-N 2.75Å; S12-L103 WeakPolarHBondContact O-CD2 3.27Å; S12-L103 WeakPolarHBondContact O-CG 3.48Å; L17-L103 HydrophobicContact CD2-CD2 4.04Å; F101-L103 HydrophobicContact CE2-CB 4.39Å; L103-I147 WeakPolarHBondContact CA-O 3.39Å; L103-I147 HydrophobicContact CB-CG1 4.37Å; L103-I147 HydrophobicContact CD1-CD1 3.73Å; L103-I147 HydrophobicContact CD1-CG1 3.78Å; L103-A149 HydrophobicContact CD1-CB 4.03Å; L103-L152 HydrophobicContact CD1-CD2 4.46Å
104I96.8Very high94.1Very high0 Ų024.6 Ų24.60%014%0.142CC..EExtended strand (participates in β ladder)trans-96.615717563.5176.3000111I102 I146 I147 D148 A149 Y228 L231 R232 M235I102-I104 HydrophobicContact CG2-CG2 3.71Å; I104-I146 HydrophobicContact CD1-CG2 3.9Å; I104-I146 HydrophobicContact CG1-CG2 4.1Å; I104-I146 HydrophobicContact CG2-CG2 4.15Å; I104-I147 WeakPolarHBondContact CG1-O 3.49Å; I104-I147 PolarHBondContact N-O 2.95Å; I104-D148 HydrophobicContact CG1-CB 4.07Å; I104-D148 CarbonylContact O-C 3.5Å; I104-D148 WeakPolarHBondContact O-CA 3.42Å; I104-A149 WeakPolarHBondContact O-CB 3.45Å; I104-A149 PolarHBondContact O-N 3.44Å; I104-Y228 HydrophobicContact CB-CD2 4.12Å; I104-Y228 HydrophobicContact CB-CE2 4.13Å; I104-Y228 HydrophobicContact CD1-CD2 4.07Å; I104-Y228 HydrophobicContact CD1-CE2 3.68Å; I104-Y228 HydrophobicContact CG1-CD2 4.36Å; I104-Y228 HydrophobicContact CG1-CE2 3.92Å; I104-L231 HydrophobicContact CD1-CB 4.31Å; I104-L231 HydrophobicContact CG2-CB 3.79Å; I104-L231 HydrophobicContact CG2-CD1 3.67Å; I104-L231 HydrophobicContact CG2-CG 4.34Å; I104-R232 HydrophobicContact CD1-CB 3.93Å; I104-R232 HydrophobicContact CD1-CG 4.4Å; I104-M235 HydrophobicContact CD1-CG 4.35Å; I104-M235 HydrophobicContact CD1-SD 3.93Å
105R94.9Very high93.5Very high27 Ų2728.5 Ų28.510%0.10216%0.16CC..  trans-145.4144.5167.7-173.5171.9-163-172.67.1109.1R11 P107 N109 I110 A149 D150 Y228R11-R105 WeakPolarHBondContact O-CD 3.38Å; R11-R105 PolarHBondContact O-NH1 3.15Å; R105-P107 WeakPolarHBondContact O-CD 3.5Å; R105-N109 HydrophobicContact CG-CB 4.36Å; R105-I110 HydrophobicContact CB-CD1 3.96Å; R105-I110 HydrophobicContact CB-CG1 4.02Å; R105-I110 HydrophobicContact CG-CD1 4.49Å; R105-I110 HydrophobicContact CG-CG1 4.02Å; R105-I110 WeakPolarHBondContact O-CD1 3.37Å; R105-A149 HydrophobicContact CB-CB 3.69Å; R105-A149 HydrophobicContact CG-CB 3.79Å; R105-D150 IonicContact CZ-OD1 2.67Å; R105-D150 IonicContact NE-OD1 2.74Å; R105-D150 PolarHBondContact NE-OD1 2.9Å; R105-D150 IonicContact NH2-OD1 3.7Å; R105-Y228 VanDerWaalsContact C-CE2 3.49Å; R105-Y228 WeakPolarHBondContact O-CD2 3.47Å
106N93.7Very high92.9Very high24 Ų2435.5 Ų35.513%0.12819%0.191CC..  trans-60.6127.3179.5-168.7-42000110.1L108 N109 I110 Y228N106-L108 PolarHBondContact O-N 3.22Å; N106-L108 VanDerWaalsContact O-N 3.08Å; N106-L108 VanDerWaalsContact OD1-CB 3.3Å; N106-L108 WeakPolarHBondContact OD1-CB 3.26Å; N106-L108 PolarHBondContact OD1-N 3.46Å; N106-N109 WeakPolarHBondContact O-CA 3.42Å; N106-N109 PolarHBondContact O-N 3.19Å; N106-I110 PolarHBondContact O-N 2.79Å; N106-Y228 HydrophobicContact CB-CE1 4.12Å; N106-Y228 HydrophobicContact CB-CE2 4.27Å
107P94.2Very high92.3Very high1 Ų135.2 Ų35.21%0.00618%0.183CC..Hα-helixtrans-54.6-27.8177.6-26.233.8000114.1R105 N109 I110 L111 L127 L221 C224R105-P107 WeakPolarHBondContact O-CD 3.5Å; P107-N109 PolarHBondContact O-N 3.41Å; P107-I110 PolarHBondContact O-N 3.16Å; P107-I110 VanDerWaalsContact O-N 3.1Å; P107-L111 HydrophobicContact CB-CD1 4.22Å; P107-L111 WeakPolarHBondContact O-CB 3.45Å; P107-L111 VanDerWaalsContact O-CG 3.28Å; P107-L111 WeakPolarHBondContact O-CG 3.33Å; P107-L111 PolarHBondContact O-N 2.93Å; P107-L127 HydrophobicContact CG-CD1 3.77Å; P107-L221 HydrophobicContact CB-CD1 3.91Å; P107-C224 HydrophobicContact CB-CB 3.94Å; P107-C224 HydrophobicContact CG-CB 3.77Å
108L92.2Very high91.6Very high70 Ų7032.9 Ų32.937%0.36617%0.172SC..Hα-helixtrans-53.7-34.2170.9-77.6167.7000113N106 P112 F213 L221N106-L108 PolarHBondContact O-N 3.22Å; N106-L108 VanDerWaalsContact O-N 3.08Å; N106-L108 VanDerWaalsContact OD1-CB 3.3Å; N106-L108 WeakPolarHBondContact OD1-CB 3.26Å; N106-L108 PolarHBondContact OD1-N 3.46Å; L108-P112 VanDerWaalsContact O-CD 3.3Å; L108-P112 WeakPolarHBondContact O-CD 3.4Å; L108-F213 HydrophobicContact CD2-CD2 3.79Å; L108-F213 HydrophobicContact CD2-CE2 3.96Å; L108-F213 HydrophobicContact CD2-CG 4.15Å; L108-F213 HydrophobicContact CD2-CZ 4.46Å; L108-L221 HydrophobicContact CD2-CD1 4.06Å; L108-L221 HydrophobicContact CD2-CD2 3.43Å; L108-L221 VanDerWaalsContact CD2-CD2 3.43Å; L108-L221 HydrophobicContact CD2-CG 4.39Å; L108-L221 HydrophobicContact CG-CD1 3.83Å; L108-L221 HydrophobicContact CG-CD2 4.09Å
109N91.4Very high91Very high67 Ų6735.5 Ų35.536%0.35818%0.181SC..Hα-helixtrans-95.9-13-178.8-64.1-29.4000112.8R105 N106 P107 D150R105-N109 HydrophobicContact CG-CB 4.36Å; N106-N109 WeakPolarHBondContact O-CA 3.42Å; N106-N109 PolarHBondContact O-N 3.19Å; P107-N109 PolarHBondContact O-N 3.41Å; N109-D150 PolarHBondContact ND2-OD1 3.19Å; N109-D150 PolarHBondContact ND2-OD2 2.82Å
110I92.1Very high90.4Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-87.2-55.7177.2-63.9174.9000110.4A9 R11 R105 N106 P107 S113 F114 L125A9-I110 HydrophobicContact CB-CD1 4.5Å; R11-I110 HydrophobicContact CB-CG2 4.21Å; R105-I110 HydrophobicContact CB-CD1 3.96Å; R105-I110 HydrophobicContact CB-CG1 4.02Å; R105-I110 HydrophobicContact CG-CD1 4.49Å; R105-I110 HydrophobicContact CG-CG1 4.02Å; R105-I110 WeakPolarHBondContact O-CD1 3.37Å; N106-I110 PolarHBondContact O-N 2.79Å; P107-I110 PolarHBondContact O-N 3.16Å; P107-I110 VanDerWaalsContact O-N 3.1Å; I110-S113 PolarHBondContact O-N 3.27Å; I110-S113 PolarHBondContact O-OG 3.05Å; I110-F114 HydrophobicContact CG2-CB 4.36Å; I110-F114 PolarHBondContact O-N 3.25Å; I110-L125 HydrophobicContact CG2-CD2 3.61Å
111L92.4Very high90Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-53.7-48.2-166.3-71.7165.1000113.9P107 S113 F114 E115 L125 F213 H217 L220 L221P107-L111 HydrophobicContact CB-CD1 4.22Å; P107-L111 WeakPolarHBondContact O-CB 3.45Å; P107-L111 VanDerWaalsContact O-CG 3.28Å; P107-L111 WeakPolarHBondContact O-CG 3.33Å; P107-L111 PolarHBondContact O-N 2.93Å; L111-S113 PolarHBondContact O-N 2.84Å; L111-S113 VanDerWaalsContact O-N 3.17Å; L111-F114 PolarHBondContact O-N 3.12Å; L111-E115 PolarHBondContact O-N 3.48Å; L111-L125 HydrophobicContact CD2-CD1 3.7Å; L111-L125 HydrophobicContact CD2-CD2 4.42Å; L111-F213 HydrophobicContact CB-CE2 4.15Å; L111-F213 HydrophobicContact CD1-CE2 4.13Å; L111-F213 HydrophobicContact CD1-CZ 3.96Å; L111-H217 HydrophobicContact CB-CB 4.31Å; L111-H217 HydrophobicContact CD1-CB 4.23Å; L111-L220 HydrophobicContact CD2-CD2 3.47Å; L111-L220 VanDerWaalsContact CD2-CD2 3.47Å; L111-L220 HydrophobicContact CD2-CG 3.84Å; L111-L221 HydrophobicContact CD1-CB 3.79Å; L111-L221 HydrophobicContact CD1-CD1 4.36Å
112P89Confident89.7Confident29 Ų2940.5 Ų40.519%0.18821%0.213CC..Hα-helixtrans-65.7-22.4-178.8-20.233.5000113.8L108 F213 P214L108-P112 VanDerWaalsContact O-CD 3.3Å; L108-P112 WeakPolarHBondContact O-CD 3.4Å; P112-F213 HydrophobicContact CG-CD2 4.04Å; P112-F213 HydrophobicContact CG-CE2 4.3Å; P112-P214 HydrophobicContact CB-CG 4.44Å
113S86.3Confident89.4Confident22 Ų2244.9 Ų44.915%0.15423%0.233CC..Hα-helixtrans-94.7-28.4-179.181.10000113.1R11 I110 L111R11-S113 PolarHBondContact NE-OG 3.35Å; R11-S113 VanDerWaalsContact NE-OG 3.16Å; I110-S113 PolarHBondContact O-N 3.27Å; I110-S113 PolarHBondContact O-OG 3.05Å; L111-S113 PolarHBondContact O-N 2.84Å; L111-S113 VanDerWaalsContact O-N 3.17Å
114F86.1Confident89.1Confident0 Ų045.4 Ų45.40%024%0.236CC..Hα-helixtrans-70.8-43-179.3-172-93.5000111.7P10 R11 I110 L111 K116 I117 H118 S120 E124 L125 W193P10-F114 HydrophobicContact CB-CD2 3.86Å; P10-F114 HydrophobicContact CB-CE2 3.52Å; P10-F114 HydrophobicContact CG-CE2 3.98Å; R11-F114 HydrophobicContact CG-CB 4.2Å; R11-F114 HydrophobicContact CG-CD2 3.84Å; I110-F114 HydrophobicContact CG2-CB 4.36Å; I110-F114 PolarHBondContact O-N 3.25Å; L111-F114 PolarHBondContact O-N 3.12Å; F114-K116 PolarHBondContact O-N 3.03Å; F114-K116 VanDerWaalsContact O-N 3.11Å; F114-I117 PolarHBondContact O-N 3.49Å; F114-H118 WeakPolarHBondContact CD1-O 3.45Å; F114-H118 HydrophobicContact CE1-CB 4.07Å; F114-H118 HydrophobicContact CZ-CB 4.21Å; F114-H118 PolarHBondContact O-N 3.29Å; F114-H118 VanDerWaalsContact O-O 3.14Å; F114-S120 WeakPolarHBondContact CD1-OG 3.42Å; F114-E124 HydrophobicContact CE1-CB 4.04Å; F114-E124 HydrophobicContact CZ-CB 4Å; F114-L125 HydrophobicContact CG-CD2 4.36Å; F114-W193 HydrophobicContact CD2-CZ3 4.37Å; F114-W193 AromaticContact CE2-CH2 3.92Å; F114-W193 HydrophobicContact CE2-CH2 3.92Å; F114-W193 HydrophobicContact CE2-CZ3 4.16Å; F114-W193 HydrophobicContact CZ-CH2 4.44Å
115E84.1Confident88.8Confident83 Ų8345.5 Ų45.539%0.38824%0.236SC..THydrogen-bonded Turntrans-56.2-31.2-179.3-177.1176.8-142.400113.6L111 I117 H118 H217L111-E115 PolarHBondContact O-N 3.48Å; E115-I117 PolarHBondContact O-N 3.48Å; E115-I117 VanDerWaalsContact O-N 3.15Å; E115-H118 VanDerWaalsContact CA-O 3.3Å; E115-H118 WeakPolarHBondContact CA-O 3.43Å; E115-H217 VanDerWaalsContact CD-CE1 3.43Å; E115-H217 VanDerWaalsContact CD-NE2 3.27Å; E115-H217 IonicContact OE1-CE1 3.84Å; E115-H217 PolarHBondContact OE1-CE1 2.98Å; E115-H217 IonicContact OE1-NE2 2.87Å; E115-H217 IonicContact OE2-CD2 2.8Å; E115-H217 IonicContact OE2-CE1 2.68Å; E115-H217 PolarHBondContact OE2-CE1 3.39Å; E115-H217 IonicContact OE2-NE2 3.59Å; E115-H217 PolarHBondContact OE2-NE2 2.8Å
116K82.8Confident88.8Confident162 Ų16244.2 Ų44.270%0.70423%0.231SC*.THydrogen-bonded Turntrans-62.7-20.9177.9-63.1-179.2-177.11790113.3F114F114-K116 PolarHBondContact O-N 3.03Å; F114-K116 VanDerWaalsContact O-N 3.11Å
117I80.5Confident88.9Confident60 Ų6043.1 Ų43.131%0.30823%0.225SC..THydrogen-bonded Turntrans-112.1-39.2-175.2-52.4176.3000110.4F114 E115 W193F114-I117 PolarHBondContact O-N 3.49Å; E115-I117 PolarHBondContact O-N 3.48Å; E115-I117 VanDerWaalsContact O-N 3.15Å; I117-W193 HydrophobicContact CB-CE3 4.37Å; I117-W193 HydrophobicContact CB-CH2 4.1Å; I117-W193 HydrophobicContact CB-CZ3 3.97Å; I117-W193 HydrophobicContact CD1-CD2 4.32Å; I117-W193 HydrophobicContact CD1-CE3 3.54Å; I117-W193 HydrophobicContact CD1-CZ3 3.75Å; I117-W193 HydrophobicContact CG1-CZ3 4.46Å; I117-W193 HydrophobicContact CG2-CD2 3.85Å; I117-W193 HydrophobicContact CG2-CE3 3.8Å; I117-W193 HydrophobicContact CG2-CH2 3.57Å; I117-W193 HydrophobicContact CG2-CZ2 3.63Å; I117-W193 HydrophobicContact CG2-CZ3 3.66Å
118H81.2Confident89Confident45 Ų4544.2 Ų44.221%0.20824%0.237CC..SBendtrans-154146.5-179.1-170.7-81.7000111.3R46 F114 E115 S120 E124 W193R46-H118 VanDerWaalsContact CZ-CD2 3.47Å; R46-H118 PolarHBondContact NH1-CD2 3.08Å; F114-H118 WeakPolarHBondContact CD1-O 3.45Å; F114-H118 HydrophobicContact CE1-CB 4.07Å; F114-H118 HydrophobicContact CZ-CB 4.21Å; F114-H118 PolarHBondContact O-N 3.29Å; F114-H118 VanDerWaalsContact O-O 3.14Å; E115-H118 VanDerWaalsContact CA-O 3.3Å; E115-H118 WeakPolarHBondContact CA-O 3.43Å; H118-S120 PolarHBondContact O-N 3.21Å; H118-E124 IonicContact CE1-OE2 3.98Å; H118-E124 IonicContact ND1-OE2 3.53Å; H118-W193 HydrophobicContact CB-CH2 4.49Å
119P83.4Confident89.2Confident98 Ų9843 Ų4364%0.63623%0.229SC*.  trans-49.5125.9170.9-28.534.9000112.6
120S84.9Confident89.5Confident28 Ų2839.8 Ų39.820%0.19621%0.212CC..  trans-74.5128.7179-57.30000110.4F114 H118F114-S120 WeakPolarHBondContact CD1-OG 3.42Å; H118-S120 PolarHBondContact O-N 3.21Å
121S90.8Very high89.8Confident51 Ų5141.3 Ų41.336%0.35722%0.221SC..  trans-138.6162.5167.276.10000109.7H123 E124 L125S121-H123 VanDerWaalsContact C-N 3.33Å; S121-H123 PolarHBondContact O-N 3.42Å; S121-E124 PolarHBondContact O-N 3.03Å; S121-E124 WeakPolarHBondContact OG-CB 3.37Å; S121-E124 WeakPolarHBondContact OG-CG 3.49Å; S121-E124 PolarHBondContact OG-N 2.89Å; S121-L125 WeakPolarHBondContact O-CG 3.33Å; S121-L125 PolarHBondContact O-N 3.48Å
122F91.8Very high90Very high82 Ų8243.9 Ų43.936%0.3624%0.239SC..Hα-helixtrans-56-46.7-180177.5-97.2000112.3L125 L220 Q223 L227F122-L125 PolarHBondContact O-N 3.03Å; F122-L220 HydrophobicContact CB-CD1 3.88Å; F122-Q223 HydrophobicContact CD2-CB 3.87Å; F122-Q223 HydrophobicContact CE2-CB 4.17Å; F122-L227 HydrophobicContact CE2-CD1 3.66Å; F122-L227 HydrophobicContact CZ-CD1 3.6Å
123H90.8Very high90.4Very high92 Ų9242.5 Ų42.543%0.42623%0.23SC..Hα-helixtrans-70-33.5178.8-175.347.1000112.6S121 L125 G126 E129S121-H123 VanDerWaalsContact C-N 3.33Å; S121-H123 PolarHBondContact O-N 3.42Å; H123-L125 PolarHBondContact O-N 2.98Å; H123-G126 PolarHBondContact O-N 3.39Å; H123-E129 IonicContact CE1-OE1 3.31Å; H123-E129 PolarHBondContact CE1-OE1 3.29Å; H123-E129 VanDerWaalsContact CE1-OE1 3.26Å; H123-E129 IonicContact ND1-OE1 2.67Å; H123-E129 PolarHBondContact ND1-OE1 3.11Å
124E90.9Very high90.9Very high13 Ų1343.1 Ų43.16%0.06123%0.229CC..Hα-helixtrans-62.9-27.6178.4-86-67110.800113.3R46 K84 F114 H118 S121R46-E124 IonicContact CZ-OE2 2.72Å; R46-E124 IonicContact NH2-OE1 2.67Å; R46-E124 PolarHBondContact NH2-OE1 2.93Å; R46-E124 IonicContact NH2-OE2 2.67Å; R46-E124 PolarHBondContact NH2-OE2 3.33Å; K84-E124 PolarHBondContact NZ-O 3.13Å; K84-E124 IonicContact NZ-OE1 3Å; K84-E124 PolarHBondContact NZ-OE1 2.85Å; K84-E124 IonicContact NZ-OE2 3.15Å; K84-E124 PolarHBondContact NZ-OE2 2.91Å; F114-E124 HydrophobicContact CE1-CB 4.04Å; F114-E124 HydrophobicContact CZ-CB 4Å; H118-E124 IonicContact CE1-OE2 3.98Å; H118-E124 IonicContact ND1-OE2 3.53Å; S121-E124 PolarHBondContact O-N 3.03Å; S121-E124 WeakPolarHBondContact OG-CB 3.37Å; S121-E124 WeakPolarHBondContact OG-CG 3.49Å; S121-E124 PolarHBondContact OG-N 2.89Å
125L92.1Very high91.5Very high1 Ų146.1 Ų46.11%0.00525%0.25CS..Hα-helixtrans-80.5-20.8180-66170.7000113.7A9 P10 I110 L111 F114 S121 F122 H123 L127 L220 C224A9-L125 WeakPolarHBondContact CB-O 3.34Å; P10-L125 VanDerWaalsContact CD-O 3.3Å; P10-L125 WeakPolarHBondContact CD-O 3.31Å; I110-L125 HydrophobicContact CG2-CD2 3.61Å; L111-L125 HydrophobicContact CD2-CD1 3.7Å; L111-L125 HydrophobicContact CD2-CD2 4.42Å; F114-L125 HydrophobicContact CG-CD2 4.36Å; S121-L125 WeakPolarHBondContact O-CG 3.33Å; S121-L125 PolarHBondContact O-N 3.48Å; F122-L125 PolarHBondContact O-N 3.03Å; H123-L125 PolarHBondContact O-N 2.98Å; L125-L127 VanDerWaalsContact C-N 3.25Å; L125-L127 HydrophobicContact CB-CD1 4.45Å; L125-L127 PolarHBondContact O-N 2.73Å; L125-L220 HydrophobicContact CD1-CD1 4.22Å; L125-L220 HydrophobicContact CD1-CD2 4.12Å; L125-L220 HydrophobicContact CD1-CG 4.17Å; L125-C224 WeakPolarHBondContact CD1-SG 3.24Å
126G94.3Very high92.1Very high0 Ų044.1 Ų44.10%024%0.243CC..THydrogen-bonded Turntrans69.713.117300000115.9S83 H123 E129 L130S83-G126 WeakPolarHBondContact CB-O 3.3Å; S83-G126 WeakPolarHBondContact OG-CA 3.33Å; S83-G126 PolarHBondContact OG-O 3.34Å; H123-G126 PolarHBondContact O-N 3.39Å; G126-E129 WeakPolarHBondContact CA-OE2 3.34Å; G126-E129 PolarHBondContact O-N 2.87Å; G126-L130 PolarHBondContact O-N 3.46Å
127L95.9Very high92.8Very high1 Ų136.4 Ų36.41%0.00521%0.209CC..Hα-helixtrans-70.8-32.1-176-73.3163.6000112.5A9 P107 L125 E129 L130 V131 C224 L227A9-L127 HydrophobicContact CB-CD2 4.32Å; P107-L127 HydrophobicContact CG-CD1 3.77Å; L125-L127 VanDerWaalsContact C-N 3.25Å; L125-L127 HydrophobicContact CB-CD1 4.45Å; L125-L127 PolarHBondContact O-N 2.73Å; L127-E129 VanDerWaalsContact C-N 3.33Å; L127-L130 HydrophobicContact CD2-CD1 4.22Å; L127-L130 PolarHBondContact O-N 3.38Å; L127-V131 PolarHBondContact O-N 2.92Å; L127-V131 VanDerWaalsContact O-N 3.16Å; L127-C224 HydrophobicContact CD1-CB 3.55Å; L127-L227 HydrophobicContact CB-CB 4.16Å; L127-L227 HydrophobicContact CB-CD1 3.97Å
128G95.9Very high93.5Very high24 Ų2435.8 Ų35.825%0.24721%0.209CC..Hα-helixtrans-63.8-42.617400000111.2L130 V131 S132G128-L130 VanDerWaalsContact C-N 3.33Å; G128-L130 PolarHBondContact O-N 2.92Å; G128-V131 PolarHBondContact O-N 3.46Å; G128-S132 PolarHBondContact O-N 2.86Å
129E97.1Very high94.2Very high45 Ų4541.5 Ų41.521%0.2124%0.236CC..Hα-helixtrans-66.9-34.3177.6-6580.2-179.800111.5H123 G126 L127 S132 I133H123-E129 IonicContact CE1-OE1 3.31Å; H123-E129 PolarHBondContact CE1-OE1 3.29Å; H123-E129 VanDerWaalsContact CE1-OE1 3.26Å; H123-E129 IonicContact ND1-OE1 2.67Å; H123-E129 PolarHBondContact ND1-OE1 3.11Å; G126-E129 WeakPolarHBondContact CA-OE2 3.34Å; G126-E129 PolarHBondContact O-N 2.87Å; L127-E129 VanDerWaalsContact C-N 3.33Å; E129-S132 PolarHBondContact O-N 3.38Å; E129-I133 WeakPolarHBondContact O-CB 3.17Å; E129-I133 WeakPolarHBondContact O-CD1 3.12Å; E129-I133 WeakPolarHBondContact O-CG1 3.39Å; E129-I133 PolarHBondContact O-N 3.11Å
130L97.9Very high94.8Very high0 Ų041.1 Ų41.10%023%0.227CC..Hα-helixtrans-62.8-43171.3-79.6-178.2000112.7W7 A9 I102 G126 L127 G128 S132 I133 Y134 L231W7-L130 HydrophobicContact CB-CD2 3.92Å; A9-L130 HydrophobicContact CB-CD1 4.09Å; I102-L130 HydrophobicContact CG2-CD1 4.33Å; I102-L130 HydrophobicContact CG2-CD2 3.81Å; G126-L130 PolarHBondContact O-N 3.46Å; L127-L130 HydrophobicContact CD2-CD1 4.22Å; L127-L130 PolarHBondContact O-N 3.38Å; G128-L130 VanDerWaalsContact C-N 3.33Å; G128-L130 PolarHBondContact O-N 2.92Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-I133 PolarHBondContact O-N 3.42Å; L130-Y134 PolarHBondContact O-N 3.44Å; L130-L231 HydrophobicContact CB-CD1 3.74Å; L130-L231 HydrophobicContact CD1-CD1 4.38Å
131V97.6Very high95.3Very high31 Ų3142.7 Ų42.719%0.18825%0.247CC..Hα-helixtrans-64.1-41175.6173.90000110.7L127 G128 Y134 S135 L227 L231L127-V131 PolarHBondContact O-N 2.92Å; L127-V131 VanDerWaalsContact O-N 3.16Å; G128-V131 PolarHBondContact O-N 3.46Å; V131-Y134 PolarHBondContact O-N 2.88Å; V131-S135 WeakPolarHBondContact O-CB 3.4Å; V131-S135 PolarHBondContact O-N 3.03Å; V131-L227 HydrophobicContact CG2-CB 3.97Å; V131-L227 HydrophobicContact CG2-CD2 4.12Å; V131-L231 HydrophobicContact CG2-CD1 4.06Å; V131-L231 HydrophobicContact CG2-CD2 4.35Å; V131-L231 HydrophobicContact CG2-CG 3.98Å
132S96.8Very high95.5Very high55 Ų5544 Ų4439%0.38525%0.254SS..Hα-helixtrans-61.2-45.2174.4-175.10000111.9G128 E129 L130 Y134 S135 D136G128-S132 PolarHBondContact O-N 2.86Å; E129-S132 PolarHBondContact O-N 3.38Å; L130-S132 VanDerWaalsContact C-N 3.33Å; S132-Y134 VanDerWaalsContact C-N 3.35Å; S132-Y134 PolarHBondContact O-N 3.15Å; S132-S135 PolarHBondContact O-N 3.27Å; S132-D136 PolarHBondContact O-N 2.92Å
133I97.3Very high95.6Very high0 Ų044.1 Ų44.10%026%0.262CS..Hα-helixtrans-58.1-46.8175.9-73.8160.6000111.3W7 R86 M95 I102 E129 L130 D136 L137W7-I133 HydrophobicContact CB-CD1 4.35Å; W7-I133 HydrophobicContact CB-CG2 4.39Å; W7-I133 HydrophobicContact CD2-CD1 3.75Å; W7-I133 HydrophobicContact CD2-CG2 4.28Å; W7-I133 HydrophobicContact CE3-CD1 3.55Å; W7-I133 HydrophobicContact CG-CD1 4.11Å; W7-I133 HydrophobicContact CG-CG2 3.9Å; W7-I133 HydrophobicContact CZ3-CD1 4.12Å; R86-I133 HydrophobicContact CB-CD1 4.46Å; R86-I133 VanDerWaalsContact CD-CG1 3.43Å; M95-I133 HydrophobicContact CE-CG2 4.11Å; I102-I133 HydrophobicContact CD1-CG2 4.17Å; I102-I133 HydrophobicContact CG1-CG2 4.42Å; E129-I133 WeakPolarHBondContact O-CB 3.17Å; E129-I133 WeakPolarHBondContact O-CD1 3.12Å; E129-I133 WeakPolarHBondContact O-CG1 3.39Å; E129-I133 PolarHBondContact O-N 3.11Å; L130-I133 PolarHBondContact O-N 3.42Å; I133-D136 PolarHBondContact O-N 3.5Å; I133-L137 HydrophobicContact CG2-CD1 3.89Å; I133-L137 WeakPolarHBondContact O-CG 3.31Å; I133-L137 PolarHBondContact O-N 3.21Å; I133-L137 VanDerWaalsContact O-N 3.15Å
134Y97.8Very high95.9Very high34 Ų3440.3 Ų40.313%0.13325%0.246CC..Hα-helixtrans-58.3-49.5176.4177.2-102.2000111.5I102 L130 V131 S132 D136 L137 C138 P144 I146 L231 H234I102-Y134 HydrophobicContact CD1-CD2 4.22Å; I102-Y134 HydrophobicContact CD1-CG 4.45Å; L130-Y134 PolarHBondContact O-N 3.44Å; V131-Y134 PolarHBondContact O-N 2.88Å; S132-Y134 VanDerWaalsContact C-N 3.35Å; S132-Y134 PolarHBondContact O-N 3.15Å; Y134-D136 PolarHBondContact O-N 2.8Å; Y134-L137 PolarHBondContact O-N 3.41Å; Y134-C138 WeakPolarHBondContact O-CB 3.48Å; Y134-C138 PolarHBondContact O-N 2.95Å; Y134-C138 PolarHBondContact O-SG 2.7Å; Y134-C138 VanDerWaalsContact O-SG 3.4Å; Y134-P144 HydrophobicContact CD2-CG 3.78Å; Y134-P144 HydrophobicContact CE2-CG 4.38Å; Y134-I146 HydrophobicContact CD2-CD1 3.78Å; Y134-I146 HydrophobicContact CD2-CG1 4.46Å; Y134-I146 HydrophobicContact CE2-CD1 3.78Å; Y134-L231 HydrophobicContact CD1-CD2 4.4Å; Y134-L231 HydrophobicContact CD2-CD2 4.38Å; Y134-L231 HydrophobicContact CG-CD2 3.87Å; Y134-H234 AromaticContact CE1-CD2 3.54Å; Y134-H234 AromaticContact CE1-NE2 3.71Å; Y134-H234 HydrophobicContact CE2-CB 4.11Å; Y134-H234 AromaticContact CZ-CD2 3.55Å; Y134-H234 AromaticContact CZ-CG 3.54Å; Y134-H234 AromaticContact CZ-ND1 3.92Å; Y134-H234 AromaticContact CZ-NE2 3.97Å; Y134-H234 PolarHBondContact OH-CD2 3.11Å; Y134-H234 PolarHBondContact OH-CE1 3.02Å; Y134-H234 PolarHBondContact OH-ND1 3.45Å
135S96.9Very high96.2Very high63 Ų6340 Ų4044%0.44125%0.246SC..Hα-helixtrans-59.3-46.2-179.1-174.40000112.3V131 S132 C138 Q139V131-S135 WeakPolarHBondContact O-CB 3.4Å; V131-S135 PolarHBondContact O-N 3.03Å; S132-S135 PolarHBondContact O-N 3.27Å; S135-C138 WeakPolarHBondContact O-CB 3.32Å; S135-C138 PolarHBondContact O-N 2.81Å; S135-Q139 PolarHBondContact O-N 3.38Å
136D96.7Very high96.4Very high42 Ų4240.3 Ų40.323%0.22525%0.247CC..Hα-helixtrans-65-44.8-177.7-63.7-20.6000111.2R86 S132 I133 Y134 C138 Q139 M140R86-D136 IonicContact CZ-OD2 2.61Å; R86-D136 IonicContact NH1-OD2 3.48Å; R86-D136 PolarHBondContact NH1-OD2 2.88Å; R86-D136 IonicContact NH2-OD2 3.62Å; R86-D136 PolarHBondContact NH2-OD2 3.44Å; S132-D136 PolarHBondContact O-N 2.92Å; I133-D136 PolarHBondContact O-N 3.5Å; Y134-D136 PolarHBondContact O-N 2.8Å; D136-C138 VanDerWaalsContact C-N 3.34Å; D136-C138 PolarHBondContact O-N 3.41Å; D136-Q139 WeakPolarHBondContact O-CB 3.24Å; D136-Q139 PolarHBondContact O-N 3.03Å; D136-Q139 VanDerWaalsContact O-N 3.16Å; D136-M140 VanDerWaalsContact O-CG 3.23Å; D136-M140 WeakPolarHBondContact O-CG 3.22Å; D136-M140 PolarHBondContact O-N 3.36Å
137L97.2Very high96.4Very high0 Ų040.7 Ų40.70%025%0.249CC..Hα-helixtrans-64.3-38.1176.9-71.9169.7000112.2M95 H100 I133 Y134 M140 G141 T142 P144M95-L137 HydrophobicContact CE-CD1 4.04Å; M95-L137 HydrophobicContact CE-CD2 3.82Å; M95-L137 HydrophobicContact CE-CG 3.66Å; M95-L137 WeakPolarHBondContact O-CD2 3.44Å; H100-L137 HydrophobicContact CB-CD1 3.59Å; H100-L137 HydrophobicContact CB-CD2 4.3Å; I133-L137 HydrophobicContact CG2-CD1 3.89Å; I133-L137 WeakPolarHBondContact O-CG 3.31Å; I133-L137 PolarHBondContact O-N 3.21Å; I133-L137 VanDerWaalsContact O-N 3.15Å; Y134-L137 PolarHBondContact O-N 3.41Å; L137-M140 PolarHBondContact O-N 3.32Å; L137-G141 PolarHBondContact O-N 3.45Å; L137-T142 CarbonylContact O-C 3.6Å; L137-T142 PolarHBondContact O-N 2.91Å; L137-T142 PolarHBondContact O-OG1 3.22Å; L137-P144 HydrophobicContact CB-CG 4.35Å; L137-P144 HydrophobicContact CD1-CB 3.88Å; L137-P144 HydrophobicContact CD1-CG 3.74Å
138C96.6Very high96.3Very high46 Ų4640.9 Ų40.931%0.31125%0.25SS..Hα-helixtrans-60.5-43.8171.3-79.20000112.3Y134 S135 D136 M140 G141Y134-C138 WeakPolarHBondContact O-CB 3.48Å; Y134-C138 PolarHBondContact O-N 2.95Å; Y134-C138 PolarHBondContact O-SG 2.7Å; Y134-C138 VanDerWaalsContact O-SG 3.4Å; S135-C138 WeakPolarHBondContact O-CB 3.32Å; S135-C138 PolarHBondContact O-N 2.81Å; D136-C138 VanDerWaalsContact C-N 3.34Å; D136-C138 PolarHBondContact O-N 3.41Å; C138-M140 VanDerWaalsContact C-N 3.25Å; C138-M140 PolarHBondContact O-N 2.86Å; C138-G141 PolarHBondContact O-N 3.21Å
139Q95.9Very high96.2Very high166 Ų16639.7 Ų39.778%0.77624%0.238SC*.Hα-helixtrans-64.7-31.3178.3-175176.8-4.900112.3S135 D136 G141S135-Q139 PolarHBondContact O-N 3.38Å; D136-Q139 WeakPolarHBondContact O-CB 3.24Å; D136-Q139 PolarHBondContact O-N 3.03Å; D136-Q139 VanDerWaalsContact O-N 3.16Å; Q139-G141 PolarHBondContact O-N 3.05Å
140M95.5Very high95.9Very high89 Ų8939.3 Ų39.344%0.43824%0.238SC..THydrogen-bonded Turntrans-77.8-5175.4-64.3169.372.100113.3M95 S96 D136 L137 C138M95-M140 HydrophobicContact CB-CE 4.39Å; M95-M140 HydrophobicContact CB-SD 4.21Å; M95-M140 WeakPolarHBondContact O-CE 3.31Å; S96-M140 VanDerWaalsContact CB-CE 3.4Å; D136-M140 VanDerWaalsContact O-CG 3.23Å; D136-M140 WeakPolarHBondContact O-CG 3.22Å; D136-M140 PolarHBondContact O-N 3.36Å; L137-M140 PolarHBondContact O-N 3.32Å; C138-M140 VanDerWaalsContact C-N 3.25Å; C138-M140 PolarHBondContact O-N 2.86Å
141G95.7Very high95.5Very high61 Ų6140.7 Ų40.763%0.62924%0.244SC*.THydrogen-bonded Turntrans83.511.2-179.900000114.5L137 C138 Q139 P143L137-G141 PolarHBondContact O-N 3.45Å; C138-G141 PolarHBondContact O-N 3.21Å; Q139-G141 PolarHBondContact O-N 3.05Å; G141-P143 VanDerWaalsContact C-CD 3.43Å; G141-P143 WeakPolarHBondContact O-CD 3.39Å
142T94.3Very high95.3Very high79 Ų7939.2 Ų39.249%0.48524%0.235SC..  trans-123.461.5-177.450.40000111.4L137L137-T142 CarbonylContact O-C 3.6Å; L137-T142 PolarHBondContact O-N 2.91Å; L137-T142 PolarHBondContact O-OG1 3.22Å
143P94.6Very high95Very high84 Ų8438 Ų3855%0.54522%0.223SC..PPolyproline II helixtrans-56.1126.1-178.125.1-34.6000110.9G141G141-P143 VanDerWaalsContact C-CD 3.43Å; G141-P143 WeakPolarHBondContact O-CD 3.39Å
144P97.1Very high94.7Very high12 Ų1242.6 Ų42.68%0.07824%0.241CC..PPolyproline II helixtrans-72.5152.7-174.829.8-34.4000110.9H100 I102 Y134 L137H100-P144 HydrophobicContact CB-CB 4.05Å; H100-P144 WeakPolarHBondContact O-CA 3.33Å; H100-P144 WeakPolarHBondContact O-CB 3.36Å; I102-P144 HydrophobicContact CD1-CG 3.75Å; I102-P144 HydrophobicContact CG1-CB 4.37Å; I102-P144 HydrophobicContact CG1-CG 4.09Å; Y134-P144 HydrophobicContact CD2-CG 3.78Å; Y134-P144 HydrophobicContact CE2-CG 4.38Å; L137-P144 HydrophobicContact CB-CG 4.35Å; L137-P144 HydrophobicContact CD1-CB 3.88Å; L137-P144 HydrophobicContact CD1-CG 3.74Å
145A96.1Very high94.3Very high8 Ų844.2 Ų44.27%0.06625%0.252CS..EExtended strand (participates in β ladder)trans-62.9142.1165.100000109.8H100 F101 I102 L163 D166H100-A145 PolarHBondContact O-N 2.82Å; F101-A145 CarbonylContact C-O 3.39Å; F101-A145 WeakPolarHBondContact CA-O 3.47Å; F101-A145 HydrophobicContact CB-CB 3.98Å; F101-A145 WeakPolarHBondContact CB-O 3.22Å; I102-A145 PolarHBondContact N-O 2.79Å; A145-L163 HydrophobicContact CB-CD1 4.31Å; A145-D166 HydrophobicContact CB-CB 3.76Å
146I96.5Very high94.2Very high6 Ų642.5 Ų42.53%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-120.7122.2176.3-54.2-175.9000108.7I102 I104 Y134 L231 H234 M235I102-I146 HydrophobicContact CB-CG1 4.38Å; I102-I146 WeakPolarHBondContact O-CA 3.49Å; I104-I146 HydrophobicContact CD1-CG2 3.9Å; I104-I146 HydrophobicContact CG1-CG2 4.1Å; I104-I146 HydrophobicContact CG2-CG2 4.15Å; Y134-I146 HydrophobicContact CD2-CD1 3.78Å; Y134-I146 HydrophobicContact CD2-CG1 4.46Å; Y134-I146 HydrophobicContact CE2-CD1 3.78Å; I146-L231 HydrophobicContact CD1-CB 4.38Å; I146-L231 HydrophobicContact CD1-CD2 4.28Å; I146-L231 VanDerWaalsContact CD1-O 3.31Å; I146-L231 WeakPolarHBondContact CD1-O 3.47Å; I146-H234 HydrophobicContact CD1-CB 3.68Å; I146-M235 HydrophobicContact CB-CG 4.08Å; I146-M235 HydrophobicContact CG2-CG 3.71Å
147I95.2Very high94.1Very high9 Ų944.3 Ų44.35%0.04625%0.246CC..EExtended strand (participates in β ladder)trans-119.4149.4174.459.9158.1000110.4L17 F101 I102 L103 I104 T159 L163L17-I147 HydrophobicContact CD2-CD1 4.09Å; F101-I147 HydrophobicContact CD2-CD1 4.32Å; F101-I147 HydrophobicContact CD2-CG1 4.14Å; F101-I147 HydrophobicContact CE2-CD1 4.11Å; F101-I147 HydrophobicContact CE2-CG1 4.36Å; I102-I147 PolarHBondContact O-N 3.14Å; L103-I147 WeakPolarHBondContact CA-O 3.39Å; L103-I147 HydrophobicContact CB-CG1 4.37Å; L103-I147 HydrophobicContact CD1-CD1 3.73Å; L103-I147 HydrophobicContact CD1-CG1 3.78Å; I104-I147 WeakPolarHBondContact CG1-O 3.49Å; I104-I147 PolarHBondContact N-O 2.95Å; I147-T159 HydrophobicContact CB-CG2 4.37Å; I147-T159 HydrophobicContact CG2-CG2 4.37Å; I147-L163 HydrophobicContact CD1-CD2 3.97Å; I147-L163 HydrophobicContact CG2-CB 4.37Å; I147-L163 HydrophobicContact CG2-CD1 4.23Å
148D93.9Very high93.9Very high4 Ų446.7 Ų46.72%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-105.1134.6178.4-175.7-65.1000110.2I104 D150 E151 L152 Y228 M235I104-D148 HydrophobicContact CG1-CB 4.07Å; I104-D148 CarbonylContact O-C 3.5Å; I104-D148 WeakPolarHBondContact O-CA 3.42Å; D148-D150 VanDerWaalsContact C-N 3.28Å; D148-D150 PolarHBondContact O-N 2.82Å; D148-D150 WeakPolarHBondContact OD1-CA 3.46Å; D148-D150 WeakPolarHBondContact OD1-CB 3.17Å; D148-D150 PolarHBondContact OD1-N 3.27Å; D148-E151 HydrophobicContact CB-CB 4.25Å; D148-E151 HydrophobicContact CB-CG 3.76Å; D148-E151 WeakPolarHBondContact O-CB 3.27Å; D148-E151 PolarHBondContact O-N 2.72Å; D148-L152 PolarHBondContact O-N 3.45Å; D148-Y228 WeakPolarHBondContact OD2-CE2 3.5Å; D148-Y228 PolarHBondContact OD2-OH 3.06Å; D148-M235 HydrophobicContact CB-CE 3.45Å; D148-M235 VanDerWaalsContact CB-CE 3.45Å; D148-M235 HydrophobicContact CB-SD 3.82Å
149A94.1Very high93.7Very high0 Ų045.3 Ų45.30%026%0.256CS..Hα-helixtrans-64.3-31.7-176.600000112.9S12 L13 L103 I104 R105 L152 Q153S12-A149 VanDerWaalsContact O-CB 3.23Å; S12-A149 WeakPolarHBondContact O-CB 3.43Å; L13-A149 HydrophobicContact CB-CB 4.48Å; L13-A149 HydrophobicContact CD1-CB 3.95Å; L13-A149 HydrophobicContact CG-CB 4.23Å; L103-A149 HydrophobicContact CD1-CB 4.03Å; I104-A149 WeakPolarHBondContact O-CB 3.45Å; I104-A149 PolarHBondContact O-N 3.44Å; R105-A149 HydrophobicContact CB-CB 3.69Å; R105-A149 HydrophobicContact CG-CB 3.79Å; A149-L152 PolarHBondContact O-N 2.9Å; A149-Q153 WeakPolarHBondContact O-CG 3.5Å; A149-Q153 PolarHBondContact O-N 2.9Å
150D90.5Very high93.7Very high36 Ų3637.5 Ų37.519%0.19322%0.219CC..Hα-helixtrans-75.4-31178.9-57.7-34.8000110.4R105 N109 D148 R154R105-D150 IonicContact CZ-OD1 2.67Å; R105-D150 IonicContact NE-OD1 2.74Å; R105-D150 PolarHBondContact NE-OD1 2.9Å; R105-D150 IonicContact NH2-OD1 3.7Å; N109-D150 PolarHBondContact ND2-OD1 3.19Å; N109-D150 PolarHBondContact ND2-OD2 2.82Å; D148-D150 VanDerWaalsContact C-N 3.28Å; D148-D150 PolarHBondContact O-N 2.82Å; D148-D150 WeakPolarHBondContact OD1-CA 3.46Å; D148-D150 WeakPolarHBondContact OD1-CB 3.17Å; D148-D150 PolarHBondContact OD1-N 3.27Å; D150-R154 WeakPolarHBondContact O-CB 3.44Å; D150-R154 PolarHBondContact O-N 2.88Å; D150-R154 VanDerWaalsContact O-N 3.16Å
151E89.3Confident93.7Very high30 Ų3038.5 Ų38.514%0.1422%0.218CC..Hα-helixtrans-63.7-48.4168.3-62.3-66.6136.800111.1D148 Q153 R154 D155 T159 M235 S239D148-E151 HydrophobicContact CB-CB 4.25Å; D148-E151 HydrophobicContact CB-CG 3.76Å; D148-E151 WeakPolarHBondContact O-CB 3.27Å; D148-E151 PolarHBondContact O-N 2.72Å; E151-Q153 VanDerWaalsContact C-N 3.29Å; E151-Q153 PolarHBondContact O-N 3.01Å; E151-R154 PolarHBondContact O-N 3.22Å; E151-R154 VanDerWaalsContact O-N 3.12Å; E151-R154 IonicContact OE1-CZ 2.62Å; E151-R154 IonicContact OE1-NH2 3.54Å; E151-R154 PolarHBondContact OE1-NH2 3.4Å; E151-R154 IonicContact OE2-CZ 3.62Å; E151-R154 IonicContact OE2-NH2 2.62Å; E151-R154 PolarHBondContact OE2-NH2 2.78Å; E151-D155 PolarHBondContact O-N 3.43Å; E151-T159 PolarHBondContact O-OG1 3.18Å; E151-M235 HydrophobicContact CG-CE 4.18Å; E151-S239 WeakPolarHBondContact OE2-CA 3.33Å; E151-S239 WeakPolarHBondContact OE2-CB 3.45Å; E151-S239 PolarHBondContact OE2-N 2.85Å
152L92.6Very high93.6Very high0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-59.1-37177.418063.7000112.4L17 L103 D148 A149 P156 T159 L160 F203L17-L152 HydrophobicContact CD1-CD2 4.08Å; L103-L152 HydrophobicContact CD1-CD2 4.46Å; D148-L152 PolarHBondContact O-N 3.45Å; A149-L152 PolarHBondContact O-N 2.9Å; L152-P156 WeakPolarHBondContact O-CA 3.33Å; L152-P156 WeakPolarHBondContact O-CB 3.13Å; L152-P156 WeakPolarHBondContact O-CD 2.94Å; L152-P156 WeakPolarHBondContact O-CG 3.39Å; L152-T159 HydrophobicContact CB-CG2 4.06Å; L152-T159 HydrophobicContact CD1-CG2 3.96Å; L152-L160 HydrophobicContact CD1-CD2 4.12Å; L152-L160 HydrophobicContact CD1-CG 4.05Å; L152-F203 HydrophobicContact CD1-CD1 4.37Å; L152-F203 HydrophobicContact CD1-CE1 3.82Å; L152-F203 HydrophobicContact CD1-CZ 4.06Å; L152-F203 HydrophobicContact CD2-CD1 4.45Å; L152-F203 HydrophobicContact CD2-CE1 3.78Å; L152-F203 HydrophobicContact CG-CD1 4.05Å; L152-F203 HydrophobicContact CG-CE1 3.71Å; L152-F203 HydrophobicContact CG-CZ 4.44Å
153Q91.8Very high93.7Very high29 Ų2932.7 Ų32.714%0.13617%0.171CC..Hα-helixtrans-71.6-36.8175.3-73.8-170.9-54.600113.1L13 A149 E151 P206L13-Q153 HydrophobicContact CD1-CG 3.19Å; A149-Q153 WeakPolarHBondContact O-CG 3.5Å; A149-Q153 PolarHBondContact O-N 2.9Å; E151-Q153 VanDerWaalsContact C-N 3.29Å; E151-Q153 PolarHBondContact O-N 3.01Å; Q153-P206 HydrophobicContact CB-CB 4.47Å; Q153-P206 WeakPolarHBondContact O-CD 3.27Å
154R89.5Confident93.8Very high96 Ų9628.7 Ų28.736%0.36215%0.145SC..Hα-helixtrans-75-45.4-175.5179.4178.952.7160.1-16.7112D150 E151 P206 S239D150-R154 WeakPolarHBondContact O-CB 3.44Å; D150-R154 PolarHBondContact O-N 2.88Å; D150-R154 VanDerWaalsContact O-N 3.16Å; E151-R154 PolarHBondContact O-N 3.22Å; E151-R154 VanDerWaalsContact O-N 3.12Å; E151-R154 IonicContact OE1-CZ 2.62Å; E151-R154 IonicContact OE1-NH2 3.54Å; E151-R154 PolarHBondContact OE1-NH2 3.4Å; E151-R154 IonicContact OE2-CZ 3.62Å; E151-R154 IonicContact OE2-NH2 2.62Å; E151-R154 PolarHBondContact OE2-NH2 2.78Å; R154-P206 HydrophobicContact CB-CG 4.36Å; R154-S239 PolarHBondContact NH1-OG 3.23Å; R154-S239 PolarHBondContact NH2-O 3.25Å; R154-S239 PolarHBondContact NH2-OG 2.73Å
155D91.2Very high93.7Very high69 Ų6933.9 Ų33.937%0.36917%0.172SC..  trans-137.282177.2-167.9-18000109.8E151 E157 A158 T159E151-D155 PolarHBondContact O-N 3.43Å; D155-E157 VanDerWaalsContact C-N 3.31Å; D155-E157 PolarHBondContact O-N 2.75Å; D155-A158 HydrophobicContact CB-CB 4.25Å; D155-A158 WeakPolarHBondContact OD1-CB 3.35Å; D155-A158 PolarHBondContact OD1-N 3.01Å; D155-A158 VanDerWaalsContact OD2-CB 3.32Å; D155-A158 WeakPolarHBondContact OD2-CB 3.37Å; D155-T159 WeakPolarHBondContact O-CB 3.11Å; D155-T159 PolarHBondContact O-N 2.86Å; D155-T159 VanDerWaalsContact O-N 3.12Å; D155-T159 PolarHBondContact O-OG1 3.23Å
156P94.4Very high93.6Very high26 Ų2635.7 Ų35.717%0.16918%0.181CC..Hα-helixtrans-62.6-38-177-16.925.7000112.7L152 L160 L176 F203L152-P156 WeakPolarHBondContact O-CA 3.33Å; L152-P156 WeakPolarHBondContact O-CB 3.13Å; L152-P156 WeakPolarHBondContact O-CD 2.94Å; L152-P156 WeakPolarHBondContact O-CG 3.39Å; P156-L160 VanDerWaalsContact O-CB 3.25Å; P156-L160 WeakPolarHBondContact O-CB 3.47Å; P156-L160 WeakPolarHBondContact O-CG 3.27Å; P156-L160 PolarHBondContact O-N 3.01Å; P156-L176 HydrophobicContact CB-CD2 3.92Å; P156-F203 HydrophobicContact CB-CB 3.92Å; P156-F203 HydrophobicContact CB-CD1 4.4Å; P156-F203 HydrophobicContact CB-CD2 3.49Å; P156-F203 VanDerWaalsContact CB-CD2 3.49Å; P156-F203 HydrophobicContact CB-CE2 4.07Å; P156-F203 HydrophobicContact CB-CG 3.68Å; P156-F203 HydrophobicContact CG-CB 3.47Å; P156-F203 VanDerWaalsContact CG-CB 3.47Å; P156-F203 HydrophobicContact CG-CD2 4.04Å; P156-F203 HydrophobicContact CG-CG 3.82Å
157E94.6Very high93.6Very high81 Ų8135.6 Ų35.638%0.37918%0.181SC..Hα-helixtrans-67.9-49.8-177.8-176.4172.7170.700111.6D155 T159 L160 R161 F171 L176D155-E157 VanDerWaalsContact C-N 3.31Å; D155-E157 PolarHBondContact O-N 2.75Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 3.24Å; E157-L160 PolarHBondContact O-N 3.01Å; E157-R161 HydrophobicContact CG-CG 4.43Å; E157-R161 WeakPolarHBondContact O-CB 3.49Å; E157-R161 VanDerWaalsContact O-CG 3.29Å; E157-R161 WeakPolarHBondContact O-CG 3.46Å; E157-R161 PolarHBondContact O-N 2.82Å; E157-R161 IonicContact OE1-CZ 3.34Å; E157-R161 VanDerWaalsContact OE1-CZ 3.27Å; E157-R161 IonicContact OE1-NE 3.06Å; E157-R161 PolarHBondContact OE1-NE 3.29Å; E157-R161 IonicContact OE1-NH2 2.83Å; E157-R161 PolarHBondContact OE1-NH2 2.85Å; E157-F171 HydrophobicContact CG-CE1 4.46Å; E157-F171 HydrophobicContact CG-CZ 3.97Å; E157-L176 HydrophobicContact CB-CD1 4Å; E157-L176 HydrophobicContact CB-CD2 4.14Å; E157-L176 HydrophobicContact CG-CD1 4.15Å
158A92.1Very high93.7Very high49 Ų4942.5 Ų42.541%0.40521%0.212SC..Hα-helixtrans-62.1-42.1178.900000111.7D155 R161 S162D155-A158 HydrophobicContact CB-CB 4.25Å; D155-A158 WeakPolarHBondContact OD1-CB 3.35Å; D155-A158 PolarHBondContact OD1-N 3.01Å; D155-A158 VanDerWaalsContact OD2-CB 3.32Å; D155-A158 WeakPolarHBondContact OD2-CB 3.37Å; A158-R161 PolarHBondContact O-N 3.2Å; A158-S162 WeakPolarHBondContact O-CB 3.25Å; A158-S162 PolarHBondContact O-N 3.03Å
159T93Very high93.8Very high18 Ų1842.6 Ų42.611%0.1121%0.213CC..Hα-helixtrans-64.6-44.6179.5-54.10000111.5I147 E151 L152 D155 E157 S162 L163I147-T159 HydrophobicContact CB-CG2 4.37Å; I147-T159 HydrophobicContact CG2-CG2 4.37Å; E151-T159 PolarHBondContact O-OG1 3.18Å; L152-T159 HydrophobicContact CB-CG2 4.06Å; L152-T159 HydrophobicContact CD1-CG2 3.96Å; D155-T159 WeakPolarHBondContact O-CB 3.11Å; D155-T159 PolarHBondContact O-N 2.86Å; D155-T159 VanDerWaalsContact O-N 3.12Å; D155-T159 PolarHBondContact O-OG1 3.23Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 3.24Å; T159-S162 PolarHBondContact O-N 3.41Å; T159-L163 WeakPolarHBondContact O-CB 2.96Å; T159-L163 PolarHBondContact O-N 2.99Å
160L95.9Very high93.9Very high1 Ų146.1 Ų46.11%0.00524%0.236CC..Hα-helixtrans-69.8-37.4179.1-72.6175000112.7L17 L152 P156 E157 L163 C164 F171 M175 L176 F203L17-L160 HydrophobicContact CD1-CD2 3.66Å; L152-L160 HydrophobicContact CD1-CD2 4.12Å; L152-L160 HydrophobicContact CD1-CG 4.05Å; P156-L160 VanDerWaalsContact O-CB 3.25Å; P156-L160 WeakPolarHBondContact O-CB 3.47Å; P156-L160 WeakPolarHBondContact O-CG 3.27Å; P156-L160 PolarHBondContact O-N 3.01Å; E157-L160 PolarHBondContact O-N 3.01Å; L160-L163 PolarHBondContact O-N 3.41Å; L160-C164 VanDerWaalsContact O-CB 3.28Å; L160-C164 WeakPolarHBondContact O-CB 3.49Å; L160-C164 PolarHBondContact O-N 3.02Å; L160-C164 PolarHBondContact O-SG 3.47Å; L160-F171 HydrophobicContact CB-CD2 4.07Å; L160-F171 HydrophobicContact CB-CE2 3.81Å; L160-F171 HydrophobicContact CD1-CE2 4.48Å; L160-M175 HydrophobicContact CD1-CB 4.08Å; L160-M175 HydrophobicContact CD1-CE 4.45Å; L160-M175 HydrophobicContact CD2-CE 4.01Å; L160-L176 HydrophobicContact CD1-CD2 3.84Å; L160-F203 HydrophobicContact CD1-CE2 3.78Å; L160-F203 HydrophobicContact CD1-CZ 4.03Å
161R95Very high94.3Very high111 Ų11146.2 Ų46.242%0.41924%0.235SC..Hα-helixtrans-59.1-49.8173.1-75.5176.9-179.8-740.1110.9E157 A158 L163 C164 D165 F171E157-R161 HydrophobicContact CG-CG 4.43Å; E157-R161 WeakPolarHBondContact O-CB 3.49Å; E157-R161 VanDerWaalsContact O-CG 3.29Å; E157-R161 WeakPolarHBondContact O-CG 3.46Å; E157-R161 PolarHBondContact O-N 2.82Å; E157-R161 IonicContact OE1-CZ 3.34Å; E157-R161 VanDerWaalsContact OE1-CZ 3.27Å; E157-R161 IonicContact OE1-NE 3.06Å; E157-R161 PolarHBondContact OE1-NE 3.29Å; E157-R161 IonicContact OE1-NH2 2.83Å; E157-R161 PolarHBondContact OE1-NH2 2.85Å; A158-R161 PolarHBondContact O-N 3.2Å; R161-L163 PolarHBondContact O-N 3.37Å; R161-C164 PolarHBondContact O-N 2.67Å; R161-D165 VanDerWaalsContact O-CG 3.28Å; R161-D165 PolarHBondContact O-N 3.08Å; R161-F171 HydrophobicContact CG-CB 4.18Å; R161-F171 HydrophobicContact CG-CD1 3.94Å; R161-F171 HydrophobicContact CG-CD2 3.79Å; R161-F171 HydrophobicContact CG-CE1 4.26Å; R161-F171 HydrophobicContact CG-CE2 4.14Å; R161-F171 HydrophobicContact CG-CG 3.68Å; R161-F171 HydrophobicContact CG-CZ 4.36Å
162S93.9Very high94.7Very high18 Ų1846.4 Ų46.413%0.12624%0.236CC..Hα-helixtrans-59.9-44176.7170.20000112.6A158 T159 D165 D166 H237A158-S162 WeakPolarHBondContact O-CB 3.25Å; A158-S162 PolarHBondContact O-N 3.03Å; T159-S162 PolarHBondContact O-N 3.41Å; S162-D165 PolarHBondContact O-N 2.73Å; S162-D166 PolarHBondContact O-N 3.41Å; S162-H237 PolarHBondContact OG-CD2 3.13Å; S162-H237 PolarHBondContact OG-NE2 3.33Å
163L95.8Very high95Very high0 Ų049.9 Ų49.90%026%0.264CS..Hα-helixtrans-63.3-43.2175.9177.763.5000111.7F21 F101 A145 I147 T159 L160 R161 D165 D166 L167F21-L163 HydrophobicContact CE2-CD2 4.01Å; F21-L163 HydrophobicContact CZ-CD2 3.97Å; F101-L163 HydrophobicContact CB-CD1 3.87Å; F101-L163 HydrophobicContact CD1-CD1 4.15Å; F101-L163 HydrophobicContact CD2-CD1 3.98Å; F101-L163 HydrophobicContact CD2-CD2 4.32Å; F101-L163 HydrophobicContact CE1-CD2 4.37Å; F101-L163 HydrophobicContact CE2-CD2 4.1Å; F101-L163 HydrophobicContact CG-CD1 3.74Å; F101-L163 HydrophobicContact CZ-CD2 4.1Å; A145-L163 HydrophobicContact CB-CD1 4.31Å; I147-L163 HydrophobicContact CD1-CD2 3.97Å; I147-L163 HydrophobicContact CG2-CB 4.37Å; I147-L163 HydrophobicContact CG2-CD1 4.23Å; T159-L163 WeakPolarHBondContact O-CB 2.96Å; T159-L163 PolarHBondContact O-N 2.99Å; L160-L163 PolarHBondContact O-N 3.41Å; R161-L163 PolarHBondContact O-N 3.37Å; L163-D165 VanDerWaalsContact C-N 3.31Å; L163-D165 PolarHBondContact O-N 2.87Å; L163-D166 PolarHBondContact O-N 3.5Å; L163-L167 HydrophobicContact CD1-CD1 3.83Å; L163-L167 HydrophobicContact CD1-CG 4.01Å; L163-L167 HydrophobicContact CD2-CD1 4.39Å; L163-L167 HydrophobicContact CG-CD1 3.81Å; L163-L167 HydrophobicContact CG-CG 4.35Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.18Å; L163-L167 PolarHBondContact O-N 3.26Å
164C96.9Very high95.3Very high0 Ų050.9 Ų50.90%028%0.275CS..Hα-helixtrans-60.8-41.8176.8-79.30000111.5L160 R161 L167 E168 I169 F171L160-C164 VanDerWaalsContact O-CB 3.28Å; L160-C164 WeakPolarHBondContact O-CB 3.49Å; L160-C164 PolarHBondContact O-N 3.02Å; L160-C164 PolarHBondContact O-SG 3.47Å; R161-C164 PolarHBondContact O-N 2.67Å; C164-L167 CarbonylContact O-C 3.5Å; C164-L167 PolarHBondContact O-N 2.97Å; C164-E168 PolarHBondContact O-N 2.76Å; C164-I169 CarbonylContact C-O 3.5Å; C164-I169 HydrophobicContact CB-CG1 3.99Å; C164-I169 WeakPolarHBondContact CB-O 3.42Å; C164-I169 PolarHBondContact O-N 3.07Å; C164-I169 VanDerWaalsContact O-O 3.13Å; C164-F171 HydrophobicContact CB-CB 4.16Å
165D95.7Very high95.7Very high120 Ų12046.3 Ų46.364%0.64226%0.257SS*.Hα-helixtrans-63.8-45.6175.4-67.7-20.1000111.3R161 S162 L163 L167 E168R161-D165 VanDerWaalsContact O-CG 3.28Å; R161-D165 PolarHBondContact O-N 3.08Å; S162-D165 PolarHBondContact O-N 2.73Å; L163-D165 VanDerWaalsContact C-N 3.31Å; L163-D165 PolarHBondContact O-N 2.87Å; D165-L167 VanDerWaalsContact C-N 3.26Å; D165-L167 PolarHBondContact O-N 2.76Å; D165-E168 PolarHBondContact O-N 2.62Å
166D94.7Very high96Very high46 Ų4645 Ų4525%0.24625%0.25CC..Hα-helixtrans-61.1-33.7175.7-88.5-26.3000113A145 S162 L163 E168 K236A145-D166 HydrophobicContact CB-CB 3.76Å; S162-D166 PolarHBondContact O-N 3.41Å; L163-D166 PolarHBondContact O-N 3.5Å; D166-E168 VanDerWaalsContact C-N 3.35Å; D166-K236 WeakPolarHBondContact OD1-CD 3.33Å; D166-K236 IonicContact OD1-NZ 2.8Å; D166-K236 PolarHBondContact OD1-NZ 2.87Å
167L96.2Very high96.1Very high5 Ų551.5 Ų51.53%0.02628%0.275CS..THydrogen-bonded Turntrans-87.2-3.2175.7-65.1174.3000112.6I4 F21 K99 F101 L163 C164 D165 I169I4-L167 HydrophobicContact CG2-CD1 3.91Å; I4-L167 HydrophobicContact CG2-CD2 4.35Å; F21-L167 HydrophobicContact CZ-CD1 4.31Å; K99-L167 HydrophobicContact CB-CD2 3.85Å; K99-L167 WeakPolarHBondContact CD-O 3.37Å; K99-L167 WeakPolarHBondContact CE-O 3.32Å; K99-L167 PolarHBondContact NZ-O 3.38Å; F101-L167 HydrophobicContact CB-CD2 4.5Å; F101-L167 HydrophobicContact CD1-CD1 4.05Å; F101-L167 HydrophobicContact CD1-CD2 4.27Å; F101-L167 HydrophobicContact CE1-CD1 4.38Å; L163-L167 HydrophobicContact CD1-CD1 3.83Å; L163-L167 HydrophobicContact CD1-CG 4.01Å; L163-L167 HydrophobicContact CD2-CD1 4.39Å; L163-L167 HydrophobicContact CG-CD1 3.81Å; L163-L167 HydrophobicContact CG-CG 4.35Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.18Å; L163-L167 PolarHBondContact O-N 3.26Å; C164-L167 CarbonylContact O-C 3.5Å; C164-L167 PolarHBondContact O-N 2.97Å; D165-L167 VanDerWaalsContact C-N 3.26Å; D165-L167 PolarHBondContact O-N 2.76Å; L167-I169 VanDerWaalsContact C-N 3.29Å; L167-I169 HydrophobicContact CB-CD1 4.37Å; L167-I169 HydrophobicContact CB-CG1 4.19Å; L167-I169 HydrophobicContact CB-CG2 4.45Å; L167-I169 HydrophobicContact CD1-CD1 4.31Å; L167-I169 PolarHBondContact O-N 2.93Å
168E96.5Very high96.2Very high153 Ų15348.2 Ų48.272%0.71526%0.26SS*.THydrogen-bonded Turntrans54.440.8-175.6-48.9169157.600113.4K99 C164 D165 D166K99-E168 IonicContact NZ-OE2 2.71Å; K99-E168 PolarHBondContact NZ-OE2 3.19Å; C164-E168 PolarHBondContact O-N 2.76Å; D165-E168 PolarHBondContact O-N 2.62Å; D166-E168 VanDerWaalsContact C-N 3.35Å
169I96.8Very high96.5Very high7 Ų754.3 Ų54.34%0.03628%0.28CS..  trans-119.9151.7174.768.7178.4000110.1I4 F21 Y76 C164 L167 F171I4-I169 HydrophobicContact CD1-CD1 3.88Å; I4-I169 HydrophobicContact CD1-CG2 4.32Å; F21-I169 HydrophobicContact CE1-CD1 3.86Å; Y76-I169 HydrophobicContact CD1-CG2 4.26Å; Y76-I169 HydrophobicContact CE1-CG2 3.69Å; Y76-I169 HydrophobicContact CE2-CG2 4.19Å; C164-I169 CarbonylContact C-O 3.5Å; C164-I169 HydrophobicContact CB-CG1 3.99Å; C164-I169 WeakPolarHBondContact CB-O 3.42Å; C164-I169 PolarHBondContact O-N 3.07Å; C164-I169 VanDerWaalsContact O-O 3.13Å; L167-I169 VanDerWaalsContact C-N 3.29Å; L167-I169 HydrophobicContact CB-CD1 4.37Å; L167-I169 HydrophobicContact CB-CG1 4.19Å; L167-I169 HydrophobicContact CB-CG2 4.45Å; L167-I169 HydrophobicContact CD1-CD1 4.31Å; L167-I169 PolarHBondContact O-N 2.93Å; I169-F171 PolarHBondContact O-N 3.36Å
170P96.4Very high96.6Very high73 Ų7356.4 Ų56.447%0.47430%0.299SS..  trans-70.9134.1178.827.9-33.7000110.8R24R24-P170 VanDerWaalsContact CZ-O 3.3Å; R24-P170 PolarHBondContact NH1-O 2.62Å; R24-P170 PolarHBondContact NH2-O 2.68Å
171F97.7Very high96.7Very high38 Ų3857.2 Ų57.217%0.16731%0.308CS..  trans-66.2137.4168171.9-97.8000111.1E157 L160 R161 C164 I169 A173 M175 L176E157-F171 HydrophobicContact CG-CE1 4.46Å; E157-F171 HydrophobicContact CG-CZ 3.97Å; L160-F171 HydrophobicContact CB-CD2 4.07Å; L160-F171 HydrophobicContact CB-CE2 3.81Å; L160-F171 HydrophobicContact CD1-CE2 4.48Å; R161-F171 HydrophobicContact CG-CB 4.18Å; R161-F171 HydrophobicContact CG-CD1 3.94Å; R161-F171 HydrophobicContact CG-CD2 3.79Å; R161-F171 HydrophobicContact CG-CE1 4.26Å; R161-F171 HydrophobicContact CG-CE2 4.14Å; R161-F171 HydrophobicContact CG-CG 3.68Å; R161-F171 HydrophobicContact CG-CZ 4.36Å; C164-F171 HydrophobicContact CB-CB 4.16Å; I169-F171 PolarHBondContact O-N 3.36Å; F171-A173 HydrophobicContact CE1-CB 4.41Å; F171-M175 HydrophobicContact CD2-SD 4.29Å; F171-L176 HydrophobicContact CZ-CD1 4.1Å; F171-L176 HydrophobicContact CZ-CG 4.26Å
172Q98.4Very high96.7Very high35 Ų3556.5 Ų56.516%0.16432%0.317CS..  trans-120129.2173.1-59.2-170.99.400110R24 D25 S174 M175R24-Q172 VanDerWaalsContact CA-OE1 3.29Å; D25-Q172 PolarHBondContact OD1-NE2 3.13Å; D25-Q172 PolarHBondContact OD1-OE1 3.04Å; Q172-S174 PolarHBondContact O-N 2.74Å; Q172-S174 VanDerWaalsContact O-N 3.14Å; Q172-M175 HydrophobicContact CB-CG 4.26Å; Q172-M175 HydrophobicContact CB-SD 4.5Å; Q172-M175 WeakPolarHBondContact O-CB 3.47Å; Q172-M175 WeakPolarHBondContact O-CG 3.27Å; Q172-M175 PolarHBondContact O-N 2.96Å
173A97.9Very high96.8Very high73 Ų7357.2 Ų57.260%0.60332%0.319SS*.G310 helixtrans-62.3-22.6-179.900000113.3F171 M175 L176F171-A173 HydrophobicContact CE1-CB 4.41Å; A173-M175 PolarHBondContact O-N 3.38Å; A173-L176 PolarHBondContact O-N 2.92Å
174S97.9Very high96.8Very high50 Ų5063.2 Ų63.235%0.3536%0.358SS..G310 helixtrans-58.5-26.8172.755.70000112.5Q23 Q172 L176 K177Q23-S174 WeakPolarHBondContact CB-O 3.19Å; Q23-S174 WeakPolarHBondContact CG-O 3.42Å; Q23-S174 WeakPolarHBondContact O-CB 3.26Å; Q23-S174 PolarHBondContact O-OG 3.07Å; Q172-S174 PolarHBondContact O-N 2.74Å; Q172-S174 VanDerWaalsContact O-N 3.14Å; S174-L176 PolarHBondContact O-N 3.2Å; S174-K177 PolarHBondContact O-N 2.98Å
175M98.1Very high96.7Very high0 Ų067.2 Ų67.20%038%0.377CS..G310 helixtrans-59.1-19.1177.9-64.8176.671.800113.7S20 F21 R24 L160 F171 Q172 A173S20-M175 WeakPolarHBondContact CA-O 3.4Å; S20-M175 VanDerWaalsContact CB-O 3.27Å; S20-M175 WeakPolarHBondContact CB-O 3.4Å; S20-M175 WeakPolarHBondContact O-CA 3.32Å; S20-M175 PolarHBondContact OG-O 3.02Å; F21-M175 HydrophobicContact CD1-CE 4.18Å; F21-M175 HydrophobicContact CD2-CE 4.04Å; F21-M175 HydrophobicContact CE1-CE 4.09Å; F21-M175 HydrophobicContact CE2-CE 3.92Å; F21-M175 HydrophobicContact CG-CE 4.19Å; F21-M175 HydrophobicContact CZ-CE 3.97Å; R24-M175 HydrophobicContact CG-CE 4.49Å; R24-M175 HydrophobicContact CG-CG 3.52Å; R24-M175 HydrophobicContact CG-SD 3.84Å; R24-M175 PolarHBondContact NH1-SD 3.46Å; L160-M175 HydrophobicContact CD1-CB 4.08Å; L160-M175 HydrophobicContact CD1-CE 4.45Å; L160-M175 HydrophobicContact CD2-CE 4.01Å; F171-M175 HydrophobicContact CD2-SD 4.29Å; Q172-M175 HydrophobicContact CB-CG 4.26Å; Q172-M175 HydrophobicContact CB-SD 4.5Å; Q172-M175 WeakPolarHBondContact O-CB 3.47Å; Q172-M175 WeakPolarHBondContact O-CG 3.27Å; Q172-M175 PolarHBondContact O-N 2.96Å; A173-M175 PolarHBondContact O-N 3.38Å
176L97.8Very high96.7Very high40 Ų4062.8 Ų62.821%0.20935%0.353CS..G310 helixtrans-86.8-14.5-175.7-62.5173.2000114P156 E157 L160 F171 A173 S174P156-L176 HydrophobicContact CB-CD2 3.92Å; E157-L176 HydrophobicContact CB-CD1 4Å; E157-L176 HydrophobicContact CB-CD2 4.14Å; E157-L176 HydrophobicContact CG-CD1 4.15Å; L160-L176 HydrophobicContact CD1-CD2 3.84Å; F171-L176 HydrophobicContact CZ-CD1 4.1Å; F171-L176 HydrophobicContact CZ-CG 4.26Å; A173-L176 PolarHBondContact O-N 2.92Å; S174-L176 PolarHBondContact O-N 3.2Å
177K97.3Very high96.7Very high163 Ų16361.1 Ų61.171%0.70935%0.347SS*.BIsolated β-bridgetrans-144.3139.6-173.2-66.1-172.9179.4-1790112Q23 S174 T201Q23-K177 WeakPolarHBondContact CG-O 3.47Å; S174-K177 PolarHBondContact O-N 2.98Å; K177-T201 VanDerWaalsContact CA-O 3.3Å; K177-T201 WeakPolarHBondContact CA-O 3.43Å
178W97.4Very high96.5Very high13 Ų1362.9 Ų62.95%0.04936%0.356CS..  trans-141.1165.1176.450.486.2000110.6T16 Y19 Q23 L197 S200 T201 G202 F203T16-W178 HydrophobicContact CG2-CH2 3.56Å; T16-W178 HydrophobicContact CG2-CZ2 3.76Å; Y19-W178 AromaticContact CD1-CD1 3.68Å; Y19-W178 HydrophobicContact CD1-CD2 4.44Å; Y19-W178 HydrophobicContact CD1-CG 4.04Å; Y19-W178 AromaticContact CD1-NE1 3.87Å; Q23-W178 VanDerWaalsContact CD-CB 3.47Å; Q23-W178 HydrophobicContact CG-CB 3.98Å; W178-L197 HydrophobicContact CZ2-CD1 4.17Å; W178-S200 PolarHBondContact NE1-O 3.48Å; W178-S200 PolarHBondContact NE1-OG 3.41Å; W178-S200 VanDerWaalsContact NE1-OG 3.14Å; W178-T201 PolarHBondContact N-O 3.08Å; W178-T201 CarbonylContact O-C 3.58Å; W178-T201 WeakPolarHBondContact O-CA 3.38Å; W178-T201 WeakPolarHBondContact O-CB 3.36Å; W178-G202 VanDerWaalsContact CH2-CA 3.47Å; W178-G202 VanDerWaalsContact CZ2-CA 3.42Å; W178-G202 WeakPolarHBondContact CZ2-O 3.05Å; W178-F203 HydrophobicContact CH2-CD1 4.44Å; W178-F203 HydrophobicContact CH2-CD2 4Å; W178-F203 HydrophobicContact CH2-CE1 4.47Å; W178-F203 HydrophobicContact CH2-CE2 4.06Å; W178-F203 HydrophobicContact CH2-CG 4.21Å; W178-F203 HydrophobicContact CH2-CZ 4.31Å; W178-F203 HydrophobicContact CZ3-CD2 4.06Å; W178-F203 AromaticContact CZ3-CE2 3.84Å; W178-F203 HydrophobicContact CZ3-CE2 3.84Å; W178-F203 HydrophobicContact CZ3-CZ 4.31Å
179E96.4Very high96.4Very high177 Ų17755.7 Ų55.783%0.82732%0.322SS*.  trans-74.2144.5172.7-64.6-171.3167.600110.9G181E179-G181 PolarHBondContact O-N 3.29Å
180A97Very high96.2Very high62 Ų6255.5 Ų55.551%0.51232%0.322SS..SBendtrans-72.6127.2176.100000110.2H198 S200 T201A180-H198 CarbonylContact C-O 3.59Å; A180-S200 WeakPolarHBondContact CA-O 3.45Å; A180-T201 HydrophobicContact CB-CG2 3.96Å
181G96.1Very high96Very high18 Ų1856.7 Ų56.719%0.18633%0.33CS..SBendtrans145.5177.2177.700000112.9Y19 E179 H198Y19-G181 WeakPolarHBondContact CE1-O 3.28Å; Y19-G181 PolarHBondContact OH-O 3.04Å; E179-G181 PolarHBondContact O-N 3.29Å; G181-H198 PolarHBondContact N-O 2.74Å; G181-H198 PolarHBondContact O-CD2 3.09Å
182P96.6Very high95.6Very high96 Ų9660.3 Ų60.362%0.62334%0.343SS*.  trans-69.6149.9167.930.8-34.2000111.1Y19 D186Y19-P182 WeakPolarHBondContact OH-CA 3.5Å; P182-D186 WeakPolarHBondContact CA-OD2 3.07Å
183I96.1Very high95.2Very high32 Ų3260.6 Ų60.616%0.16434%0.342CS..  trans-107.1156.8169.962.8175.6000110.5M18 Y19 A22 E185 D186M18-I183 HydrophobicContact CE-CD1 4.31Å; Y19-I183 HydrophobicContact CD1-CG2 4.31Å; Y19-I183 HydrophobicContact CD2-CD1 3.88Å; Y19-I183 HydrophobicContact CD2-CG1 4.45Å; Y19-I183 HydrophobicContact CE1-CG1 4.43Å; Y19-I183 HydrophobicContact CE1-CG2 3.76Å; Y19-I183 HydrophobicContact CE2-CD1 3.75Å; Y19-I183 HydrophobicContact CE2-CG1 3.82Å; Y19-I183 HydrophobicContact CG-CD1 4.35Å; Y19-I183 PolarHBondContact OH-N 3.42Å; A22-I183 HydrophobicContact CB-CD1 4.16Å; I183-E185 HydrophobicContact CD1-CB 4.32Å; I183-E185 HydrophobicContact CG1-CB 4.46Å; I183-E185 PolarHBondContact O-N 3.46Å; I183-E185 VanDerWaalsContact O-N 3.11Å; I183-D186 WeakPolarHBondContact O-CB 3.2Å; I183-D186 PolarHBondContact O-N 3.28Å; I183-D186 VanDerWaalsContact O-N 3.11Å
184P94.4Very high94.9Very high127 Ų12757.6 Ų57.683%0.82532%0.315SS*.THydrogen-bonded Turntrans-57.4-25.1-179.4-26.135.5000114.9D186P184-D186 VanDerWaalsContact C-N 3.34Å
185E95Very high94.6Very high83 Ų8361 Ų6139%0.38833%0.325SS..THydrogen-bonded Turntrans-84.8-4.7-178.2-59.577.7-166.500113.9V29 D31 I183 G187V29-E185 HydrophobicContact CG2-CB 3.57Å; V29-E185 HydrophobicContact CG2-CG 3.58Å; D31-E185 VanDerWaalsContact CB-O 3.29Å; D31-E185 WeakPolarHBondContact CB-O 3.2Å; I183-E185 HydrophobicContact CD1-CB 4.32Å; I183-E185 HydrophobicContact CG1-CB 4.46Å; I183-E185 PolarHBondContact O-N 3.46Å; I183-E185 VanDerWaalsContact O-N 3.11Å; E185-G187 PolarHBondContact O-N 2.8Å
186D96.4Very high94.3Very high28 Ų2865.8 Ų65.815%0.1536%0.355CS..  trans-58.5130.5175.9-87.5-8.3000111.2Y19 P182 I183 P184 A190 H198Y19-D186 WeakPolarHBondContact CE2-OD1 3.25Å; Y19-D186 PolarHBondContact OH-OD1 2.94Å; Y19-D186 PolarHBondContact OH-OD2 3.26Å; Y19-D186 VanDerWaalsContact OH-OD2 3.06Å; P182-D186 WeakPolarHBondContact CA-OD2 3.07Å; I183-D186 WeakPolarHBondContact O-CB 3.2Å; I183-D186 PolarHBondContact O-N 3.28Å; I183-D186 VanDerWaalsContact O-N 3.11Å; P184-D186 VanDerWaalsContact C-N 3.34Å; D186-A190 HydrophobicContact CB-CB 3.8Å; D186-H198 IonicContact OD2-CD2 3.85Å; D186-H198 IonicContact OD2-CE1 3.72Å; D186-H198 IonicContact OD2-NE2 3.88Å; D186-H198 PolarHBondContact OD2-NE2 3.26Å
187G93.7Very high94Very high11 Ų1164.6 Ų64.611%0.11335%0.349CS..  trans-63.5158.7173.600000112.5D31 E185 W189 A190D31-G187 PolarHBondContact OD2-N 2.93Å; E185-G187 PolarHBondContact O-N 2.8Å; G187-W189 PolarHBondContact O-N 2.94Å; G187-A190 WeakPolarHBondContact O-CB 3.48Å; G187-A190 PolarHBondContact O-N 3.46Å
188L92.9Very high94Very high41 Ų4158.8 Ų58.822%0.21532%0.324CS..THydrogen-bonded Turntrans-55.9-27.4-178.5-170.2144.6000113.3E51 K55 A190 P191 W192E51-L188 HydrophobicContact CB-CD1 4.47Å; E51-L188 HydrophobicContact CB-CD2 4.31Å; E51-L188 HydrophobicContact CG-CD1 3.78Å; E51-L188 HydrophobicContact CG-CD2 4.29Å; K55-L188 HydrophobicContact CD-CD1 3.57Å; L188-A190 VanDerWaalsContact C-N 3.3Å; L188-A190 PolarHBondContact O-N 2.8Å; L188-P191 VanDerWaalsContact O-CD 3.29Å; L188-P191 WeakPolarHBondContact O-CD 3.43Å; L188-W192 WeakPolarHBondContact O-CZ3 3.31Å
189W93.5Very high93.9Very high2 Ų265 Ų651%0.00835%0.351CS..THydrogen-bonded Turntrans-79.6-4178.158.389.8000114.2D31 E32 Y35 Y48 L52 M56 G187 P191 W192 W193 Y194D31-W189 HydrophobicContact CB-CZ2 4.36Å; D31-W189 WeakPolarHBondContact O-CH2 3.23Å; E32-W189 HydrophobicContact CB-CH2 3.95Å; E32-W189 HydrophobicContact CB-CZ2 3.56Å; E32-W189 HydrophobicContact CG-CZ2 3.9Å; Y35-W189 AromaticContact CD1-CD2 3.68Å; Y35-W189 HydrophobicContact CD1-CD2 3.68Å; Y35-W189 AromaticContact CD1-CE2 3.95Å; Y35-W189 AromaticContact CD1-CE3 3.48Å; Y35-W189 HydrophobicContact CD1-CE3 3.48Å; Y35-W189 VanDerWaalsContact CD1-CE3 3.48Å; Y35-W189 HydrophobicContact CD1-CG 4.43Å; Y35-W189 AromaticContact CD1-CH2 3.85Å; Y35-W189 HydrophobicContact CD1-CH2 3.85Å; Y35-W189 HydrophobicContact CD1-CZ2 4.07Å; Y35-W189 AromaticContact CD1-CZ3 3.56Å; Y35-W189 HydrophobicContact CD1-CZ3 3.56Å; Y35-W189 HydrophobicContact CE1-CB 4.39Å; Y35-W189 AromaticContact CE1-CD2 3.7Å; Y35-W189 HydrophobicContact CE1-CD2 3.7Å; Y35-W189 AromaticContact CE1-CE3 3.76Å; Y35-W189 HydrophobicContact CE1-CE3 3.76Å; Y35-W189 AromaticContact CE1-CG 3.99Å; Y35-W189 HydrophobicContact CE1-CG 3.99Å; Y35-W189 HydrophobicContact CE1-CZ3 4.31Å; Y48-W189 HydrophobicContact CD1-CB 4.42Å; Y48-W189 HydrophobicContact CD2-CB 3.99Å; Y48-W189 HydrophobicContact CE1-CB 3.97Å; Y48-W189 HydrophobicContact CE2-CB 3.51Å; Y48-W189 HydrophobicContact CE2-CG 4.48Å; Y48-W189 HydrophobicContact CG-CB 4.42Å; Y48-W189 VanDerWaalsContact CZ-CB 3.48Å; L52-W189 HydrophobicContact CD1-CE3 3.51Å; L52-W189 HydrophobicContact CD1-CZ3 3.8Å; L52-W189 HydrophobicContact CG-CE3 4.45Å; L52-W189 HydrophobicContact CG-CZ3 4.43Å; M56-W189 HydrophobicContact CE-CH2 4.26Å; M56-W189 HydrophobicContact CE-CZ3 4.2Å; M56-W189 HydrophobicContact SD-CH2 4.33Å; M56-W189 HydrophobicContact SD-CZ3 3.68Å; G187-W189 PolarHBondContact O-N 2.94Å; W189-P191 VanDerWaalsContact C-N 3.31Å; W189-W192 PolarHBondContact O-N 3.25Å; W189-W193 AromaticContact CD1-CD1 3.87Å; W189-W193 PolarHBondContact O-N 3.48Å; W189-Y194 AromaticContact NE1-CZ 3.76Å; W189-Y194 PolarHBondContact NE1-OH 2.99Å; W189-Y194 VanDerWaalsContact NE1-OH 3.08Å
190A94Very high93.8Very high4 Ų457.2 Ų57.23%0.03332%0.317CS..Hα-helixtrans-50-40.9-179.200000114.3D186 G187 L188 W192 W193 Y194D186-A190 HydrophobicContact CB-CB 3.8Å; G187-A190 WeakPolarHBondContact O-CB 3.48Å; G187-A190 PolarHBondContact O-N 3.46Å; L188-A190 VanDerWaalsContact C-N 3.3Å; L188-A190 PolarHBondContact O-N 2.8Å; A190-W192 PolarHBondContact O-N 2.81Å; A190-W192 VanDerWaalsContact O-N 3.08Å; A190-W193 PolarHBondContact O-N 2.94Å; A190-W193 VanDerWaalsContact O-N 3.11Å; A190-Y194 HydrophobicContact CB-CD2 3.33Å; A190-Y194 HydrophobicContact CB-CE2 3.77Å; A190-Y194 HydrophobicContact CB-CG 4.05Å; A190-Y194 WeakPolarHBondContact O-CB 3.28Å; A190-Y194 PolarHBondContact O-N 3.48Å
191P91.7Very high93.8Very high98 Ų9858.5 Ų58.564%0.63632%0.318SS*.Hα-helixtrans-58-24.6177.1-26.436000114.8L188 W189L188-P191 VanDerWaalsContact O-CD 3.29Å; L188-P191 WeakPolarHBondContact O-CD 3.43Å; W189-P191 VanDerWaalsContact C-N 3.31Å
192W89.1Confident93.8Very high114 Ų11458.2 Ų58.243%0.43232%0.315SS..Hα-helixtrans-89.1-24.9179.5-69.3-97.8000113.4Y48 L188 W189 A190Y48-W192 AromaticContact CD1-CD2 3.42Å; Y48-W192 HydrophobicContact CD1-CD2 3.42Å; Y48-W192 VanDerWaalsContact CD1-CD2 3.42Å; Y48-W192 AromaticContact CD1-CE2 3.58Å; Y48-W192 AromaticContact CD1-CE3 3.6Å; Y48-W192 HydrophobicContact CD1-CE3 3.6Å; Y48-W192 AromaticContact CD1-CG 3.91Å; Y48-W192 HydrophobicContact CD1-CG 3.91Å; Y48-W192 HydrophobicContact CD1-CH2 4.07Å; Y48-W192 AromaticContact CD1-CZ2 3.91Å; Y48-W192 HydrophobicContact CD1-CZ2 3.91Å; Y48-W192 AromaticContact CD1-CZ3 3.92Å; Y48-W192 HydrophobicContact CD1-CZ3 3.92Å; Y48-W192 HydrophobicContact CE1-CB 4.08Å; Y48-W192 AromaticContact CE1-CD2 3.76Å; Y48-W192 HydrophobicContact CE1-CD2 3.76Å; Y48-W192 HydrophobicContact CE1-CE3 4.08Å; Y48-W192 AromaticContact CE1-CG 3.75Å; Y48-W192 HydrophobicContact CE1-CG 3.75Å; Y48-W192 HydrophobicContact CG-CD2 4.48Å; Y48-W192 HydrophobicContact CG-CE3 4.31Å; Y48-W192 HydrophobicContact CG-CH2 4.35Å; Y48-W192 HydrophobicContact CG-CZ3 4.24Å; L188-W192 WeakPolarHBondContact O-CZ3 3.31Å; W189-W192 PolarHBondContact O-N 3.25Å; A190-W192 PolarHBondContact O-N 2.81Å; A190-W192 VanDerWaalsContact O-N 3.08Å
193W89.2Confident93.7Very high41 Ų4154.9 Ų54.916%0.15529%0.291CS..Hα-helixtrans-118.3-28.2-168.1-68.791.1000114.3Y48 F114 I117 H118 W189 A190Y48-W193 AromaticContact CZ-NE1 3.98Å; Y48-W193 PolarHBondContact OH-NE1 2.97Å; F114-W193 HydrophobicContact CD2-CZ3 4.37Å; F114-W193 AromaticContact CE2-CH2 3.92Å; F114-W193 HydrophobicContact CE2-CH2 3.92Å; F114-W193 HydrophobicContact CE2-CZ3 4.16Å; F114-W193 HydrophobicContact CZ-CH2 4.44Å; I117-W193 HydrophobicContact CB-CE3 4.37Å; I117-W193 HydrophobicContact CB-CH2 4.1Å; I117-W193 HydrophobicContact CB-CZ3 3.97Å; I117-W193 HydrophobicContact CD1-CD2 4.32Å; I117-W193 HydrophobicContact CD1-CE3 3.54Å; I117-W193 HydrophobicContact CD1-CZ3 3.75Å; I117-W193 HydrophobicContact CG1-CZ3 4.46Å; I117-W193 HydrophobicContact CG2-CD2 3.85Å; I117-W193 HydrophobicContact CG2-CE3 3.8Å; I117-W193 HydrophobicContact CG2-CH2 3.57Å; I117-W193 HydrophobicContact CG2-CZ2 3.63Å; I117-W193 HydrophobicContact CG2-CZ3 3.66Å; H118-W193 HydrophobicContact CB-CH2 4.49Å; W189-W193 AromaticContact CD1-CD1 3.87Å; W189-W193 PolarHBondContact O-N 3.48Å; A190-W193 PolarHBondContact O-N 2.94Å; A190-W193 VanDerWaalsContact O-N 3.11Å
194Y93.1Very high93.4Very high9 Ų956.8 Ų56.84%0.03531%0.307CS..  trans-107.57.5-162.4-58-10.1000114.2T15 D31 K80 W189 A190 T196 L197 H198T15-Y194 HydrophobicContact CG2-CD1 3.79Å; T15-Y194 HydrophobicContact CG2-CD2 3.68Å; T15-Y194 HydrophobicContact CG2-CE1 3.58Å; T15-Y194 HydrophobicContact CG2-CE2 3.44Å; T15-Y194 VanDerWaalsContact CG2-CE2 3.44Å; T15-Y194 HydrophobicContact CG2-CG 3.89Å; T15-Y194 VanDerWaalsContact CG2-CZ 3.4Å; T15-Y194 WeakPolarHBondContact OG1-CE1 3.49Å; D31-Y194 VanDerWaalsContact CG-OH 3.27Å; D31-Y194 PolarHBondContact OD1-OH 3.29Å; D31-Y194 VanDerWaalsContact OD2-CE2 3.24Å; D31-Y194 WeakPolarHBondContact OD2-CE2 3.4Å; D31-Y194 PolarHBondContact OD2-OH 3.4Å; K80-Y194 PolarHBondContact NZ-OH 3.18Å; W189-Y194 AromaticContact NE1-CZ 3.76Å; W189-Y194 PolarHBondContact NE1-OH 2.99Å; W189-Y194 VanDerWaalsContact NE1-OH 3.08Å; A190-Y194 HydrophobicContact CB-CD2 3.33Å; A190-Y194 HydrophobicContact CB-CE2 3.77Å; A190-Y194 HydrophobicContact CB-CG 4.05Å; A190-Y194 WeakPolarHBondContact O-CB 3.28Å; A190-Y194 PolarHBondContact O-N 3.48Å; Y194-T196 PolarHBondContact O-N 2.91Å; Y194-T196 VanDerWaalsContact O-N 3.07Å; Y194-L197 WeakPolarHBondContact O-CA 3.28Å; Y194-L197 WeakPolarHBondContact O-CB 3.45Å; Y194-L197 PolarHBondContact O-N 3.01Å; Y194-H198 PolarHBondContact O-N 3.15Å
195E91.8Very high92.9Very high121 Ų12155.8 Ų55.857%0.56530%0.304SS*.THydrogen-bonded Turntrans-50.9-40.2-177.9-165-152.8150.900113.5K199E195-K199 WeakPolarHBondContact O-CG 3.34Å; E195-K199 IonicContact OE1-NZ 3.69Å; E195-K199 PolarHBondContact OE1-NZ 2.96Å
196T90.8Very high92.2Very high101 Ų10154.7 Ų54.762%0.6230%0.303SS*.THydrogen-bonded Turntrans-71.7-37.1177.6-54.80000112.1Y194 K199Y194-T196 PolarHBondContact O-N 2.91Å; Y194-T196 VanDerWaalsContact O-N 3.07Å; T196-K199 PolarHBondContact O-N 3.08Å
197L92.8Very high91.5Very high15 Ų1560 Ų608%0.07933%0.327CS..G310 helixtrans-69.5-41-179.4178.966.1000111.1T15 T16 Y19 W178 Y194 K199 S200T15-L197 HydrophobicContact CG2-CD2 3.25Å; T16-L197 HydrophobicContact CG2-CD1 4.24Å; Y19-L197 HydrophobicContact CD1-CD2 4.47Å; Y19-L197 HydrophobicContact CD1-CG 4.42Å; Y19-L197 HydrophobicContact CD2-CD2 3.51Å; Y19-L197 HydrophobicContact CD2-CG 4.3Å; Y19-L197 HydrophobicContact CE1-CD2 4.46Å; Y19-L197 HydrophobicContact CE1-CG 4.37Å; Y19-L197 HydrophobicContact CE2-CD2 3.49Å; Y19-L197 VanDerWaalsContact CE2-CD2 3.49Å; Y19-L197 HydrophobicContact CE2-CG 4.24Å; Y19-L197 HydrophobicContact CG-CD1 4.42Å; Y19-L197 HydrophobicContact CG-CD2 4.01Å; Y19-L197 HydrophobicContact CG-CG 4.36Å; W178-L197 HydrophobicContact CZ2-CD1 4.17Å; Y194-L197 WeakPolarHBondContact O-CA 3.28Å; Y194-L197 WeakPolarHBondContact O-CB 3.45Å; Y194-L197 PolarHBondContact O-N 3.01Å; L197-K199 PolarHBondContact O-N 3.2Å; L197-S200 WeakPolarHBondContact CD1-OG 3.44Å; L197-S200 WeakPolarHBondContact O-CB 3.42Å; L197-S200 PolarHBondContact O-N 2.97Å; L197-S200 PolarHBondContact O-OG 2.67Å
198H95.9Very high91Very high42 Ų4267.7 Ų67.719%0.19436%0.358CS..G310 helixtrans-58.9-18.7176.1-66.2171.3000113.4Y19 A180 G181 D186 Y194Y19-H198 PolarHBondContact OH-CD2 3.11Å; Y19-H198 PolarHBondContact OH-NE2 3.48Å; A180-H198 CarbonylContact C-O 3.59Å; G181-H198 PolarHBondContact N-O 2.74Å; G181-H198 PolarHBondContact O-CD2 3.09Å; D186-H198 IonicContact OD2-CD2 3.85Å; D186-H198 IonicContact OD2-CE1 3.72Å; D186-H198 IonicContact OD2-NE2 3.88Å; D186-H198 PolarHBondContact OD2-NE2 3.26Å; Y194-H198 PolarHBondContact O-N 3.15Å
199K95Very high90.7Very high142 Ų14273.4 Ų73.462%0.61738%0.378SS*.G310 helixtrans-92-9175.4-62.6172.7-168.5172.10113.6E195 T196 L197E195-K199 WeakPolarHBondContact O-CG 3.34Å; E195-K199 IonicContact OE1-NZ 3.69Å; E195-K199 PolarHBondContact OE1-NZ 2.96Å; T196-K199 PolarHBondContact O-N 3.08Å; L197-K199 PolarHBondContact O-N 3.2Å
200S95.8Very high90.3Very high14 Ų1478.8 Ų78.810%0.09841%0.413CS..  trans-91.1154.9-176.973.80000112.1W178 A180 L197W178-S200 PolarHBondContact NE1-O 3.48Å; W178-S200 PolarHBondContact NE1-OG 3.41Å; W178-S200 VanDerWaalsContact NE1-OG 3.14Å; A180-S200 WeakPolarHBondContact CA-O 3.45Å; L197-S200 WeakPolarHBondContact CD1-OG 3.44Å; L197-S200 WeakPolarHBondContact O-CB 3.42Å; L197-S200 PolarHBondContact O-N 2.97Å; L197-S200 PolarHBondContact O-OG 2.67Å
201T96.8Very high89.9Confident89 Ų8984.7 Ų84.755%0.54644%0.439SS..SBendtrans-121.514173.753.50000112.7K177 W178 A180K177-T201 VanDerWaalsContact CA-O 3.3Å; K177-T201 WeakPolarHBondContact CA-O 3.43Å; W178-T201 PolarHBondContact N-O 3.08Å; W178-T201 CarbonylContact O-C 3.58Å; W178-T201 WeakPolarHBondContact O-CA 3.38Å; W178-T201 WeakPolarHBondContact O-CB 3.36Å; A180-T201 HydrophobicContact CB-CG2 3.96Å
202G95.7Very high89.9Confident12 Ų1286.4 Ų86.412%0.12445%0.448CS..BIsolated β-bridgetrans165.9-176.2-173.500000111.2W178 S204W178-G202 VanDerWaalsContact CH2-CA 3.47Å; W178-G202 VanDerWaalsContact CZ2-CA 3.42Å; W178-G202 WeakPolarHBondContact CZ2-O 3.05Å; G202-S204 PolarHBondContact O-N 2.77Å
203F94.8Very high90.1Very high26 Ų2683 Ų8311%0.11444%0.436CS..PPolyproline II helixtrans-66.3123176.2-64.6-87.3000110.9T16 L152 P156 L160 W178T16-F203 HydrophobicContact CG2-CD1 3.64Å; T16-F203 HydrophobicContact CG2-CE1 3.69Å; T16-F203 HydrophobicContact CG2-CG 4.45Å; L152-F203 HydrophobicContact CD1-CD1 4.37Å; L152-F203 HydrophobicContact CD1-CE1 3.82Å; L152-F203 HydrophobicContact CD1-CZ 4.06Å; L152-F203 HydrophobicContact CD2-CD1 4.45Å; L152-F203 HydrophobicContact CD2-CE1 3.78Å; L152-F203 HydrophobicContact CG-CD1 4.05Å; L152-F203 HydrophobicContact CG-CE1 3.71Å; L152-F203 HydrophobicContact CG-CZ 4.44Å; P156-F203 HydrophobicContact CB-CB 3.92Å; P156-F203 HydrophobicContact CB-CD1 4.4Å; P156-F203 HydrophobicContact CB-CD2 3.49Å; P156-F203 VanDerWaalsContact CB-CD2 3.49Å; P156-F203 HydrophobicContact CB-CE2 4.07Å; P156-F203 HydrophobicContact CB-CG 3.68Å; P156-F203 HydrophobicContact CG-CB 3.47Å; P156-F203 VanDerWaalsContact CG-CB 3.47Å; P156-F203 HydrophobicContact CG-CD2 4.04Å; P156-F203 HydrophobicContact CG-CG 3.82Å; L160-F203 HydrophobicContact CD1-CE2 3.78Å; L160-F203 HydrophobicContact CD1-CZ 4.03Å; W178-F203 HydrophobicContact CH2-CD1 4.44Å; W178-F203 HydrophobicContact CH2-CD2 4Å; W178-F203 HydrophobicContact CH2-CE1 4.47Å; W178-F203 HydrophobicContact CH2-CE2 4.06Å; W178-F203 HydrophobicContact CH2-CG 4.21Å; W178-F203 HydrophobicContact CH2-CZ 4.31Å; W178-F203 HydrophobicContact CZ3-CD2 4.06Å; W178-F203 AromaticContact CZ3-CE2 3.84Å; W178-F203 HydrophobicContact CZ3-CE2 3.84Å; W178-F203 HydrophobicContact CZ3-CZ 4.31Å
204S89.3Confident90.2Very high73 Ų7382.7 Ų82.751%0.5144%0.44SS..PPolyproline II helixtrans-74.2134.3175.5-59.30000110.4G202G202-S204 PolarHBondContact O-N 2.77Å
205S84.4Confident90.2Very high106 Ų10689 Ų8974%0.74147%0.474SS*.PPolyproline II helixtrans-58.5142.9172.2-55.20000110.8
206P80.4Confident90.3Very high59 Ų5989.9 Ų89.938%0.38348%0.48SS..PPolyproline II helixtrans-61.4147.8177.526.7-33.8000110.1Q153 R154 K208Q153-P206 HydrophobicContact CB-CB 4.47Å; Q153-P206 WeakPolarHBondContact O-CD 3.27Å; R154-P206 HydrophobicContact CB-CG 4.36Å; P206-K208 PolarHBondContact O-N 3.05Å
207Q80.8Confident90.4Very high139 Ų13985.7 Ų85.765%0.6545%0.453SS*.PPolyproline II helixtrans-59.5132.1171.1-69.2-177.5-2.100108.9Y209Q207-Y209 PolarHBondContact O-N 2.81Å
208K82.4Confident90.4Very high173 Ų17390.6 Ų90.675%0.75247%0.471SS*.SBendtrans-57.7-34-179.3-174.5-180179.9-169.60112.5P206P206-K208 PolarHBondContact O-N 3.05Å
209Y86.6Confident90.4Very high162 Ų16294 Ų9464%0.63549%0.49SS*.SBendtrans-127.7141.3179.1-59.2-68.7000109.9Q207Q207-Y209 PolarHBondContact O-N 2.81Å
210P85.7Confident90.4Very high115 Ų11588.2 Ų88.275%0.74747%0.466SS*.PPolyproline II helixtrans-70.8155.8175.831.3-35.1000111
211Q86.1Confident90.4Very high127 Ų12788.3 Ų88.359%0.59347%0.466SS*.PPolyproline II helixtrans-75.6160.2164.8-64-174.9-8.400110.2F213Q211-F213 PolarHBondContact O-N 3.32Å
212T91.6Very high90.3Very high134 Ų13489.7 Ų89.782%0.82247%0.466SS*.PPolyproline II helixtrans-61.7125.7174.1-60.40000109.4P214T212-P214 WeakPolarHBondContact O-CD 3.38Å
213F93Very high90.3Very high42 Ų4294.2 Ų94.218%0.18448%0.484CS..PPolyproline II helixtrans-70.2125.3177.2-175.4-99.3000110.2L108 L111 P112 Q211 L215 H217 L221L108-F213 HydrophobicContact CD2-CD2 3.79Å; L108-F213 HydrophobicContact CD2-CE2 3.96Å; L108-F213 HydrophobicContact CD2-CG 4.15Å; L108-F213 HydrophobicContact CD2-CZ 4.46Å; L111-F213 HydrophobicContact CB-CE2 4.15Å; L111-F213 HydrophobicContact CD1-CE2 4.13Å; L111-F213 HydrophobicContact CD1-CZ 3.96Å; P112-F213 HydrophobicContact CG-CD2 4.04Å; P112-F213 HydrophobicContact CG-CE2 4.3Å; Q211-F213 PolarHBondContact O-N 3.32Å; F213-L215 PolarHBondContact O-N 3.41Å; F213-H217 HydrophobicContact CE1-CB 3.95Å; F213-H217 HydrophobicContact CE2-CB 4.33Å; F213-H217 HydrophobicContact CZ-CB 3.52Å; F213-L221 HydrophobicContact CE1-CB 4.46Å; F213-L221 HydrophobicContact CE1-CD2 3.97Å; F213-L221 HydrophobicContact CE2-CD2 4.44Å; F213-L221 HydrophobicContact CZ-CB 3.93Å; F213-L221 HydrophobicContact CZ-CD2 3.85Å; F213-L221 HydrophobicContact CZ-CG 4.41Å
214P92.4Very high90.3Very high35 Ų3593 Ų9323%0.22748%0.478CS..PPolyproline II helixtrans-69.1118.8177.8-14.928.7000110.9P112 T212 M216 H217P112-P214 HydrophobicContact CB-CG 4.44Å; T212-P214 WeakPolarHBondContact O-CD 3.38Å; P214-M216 HydrophobicContact CB-CE 4.35Å; P214-M216 HydrophobicContact CB-CG 4.22Å; P214-M216 PolarHBondContact O-N 3.02Å; P214-M216 VanDerWaalsContact O-N 3.12Å; P214-H217 PolarHBondContact O-N 3.47Å
215L92.7Very high90.6Very high142 Ų14292.1 Ų92.174%0.74347%0.468SS*.G310 helixtrans-61.9-22.4-175-69.1177.8000114.4F213 H217 Y218F213-L215 PolarHBondContact O-N 3.41Å; L215-H217 PolarHBondContact O-N 3.45Å; L215-H217 VanDerWaalsContact O-N 3.13Å; L215-Y218 WeakPolarHBondContact O-CB 3.23Å; L215-Y218 PolarHBondContact O-N 3.25Å
216M93Very high91.1Very high140 Ų14090.3 Ų90.369%0.6945%0.454SS*.G310 helixtrans-59.9-21.1173.968.7-17382.100113.2P214P214-M216 HydrophobicContact CB-CE 4.35Å; P214-M216 HydrophobicContact CB-CG 4.22Å; P214-M216 PolarHBondContact O-N 3.02Å; P214-M216 VanDerWaalsContact O-N 3.12Å
217H93.1Very high91.9Very high12 Ų1289 Ų896%0.05644%0.444CS..G310 helixtrans-91.43.3177.1-64.2-49.3000113.6L111 E115 F213 P214 L215 L220 L221L111-H217 HydrophobicContact CB-CB 4.31Å; L111-H217 HydrophobicContact CD1-CB 4.23Å; E115-H217 VanDerWaalsContact CD-CE1 3.43Å; E115-H217 VanDerWaalsContact CD-NE2 3.27Å; E115-H217 IonicContact OE1-CE1 3.84Å; E115-H217 PolarHBondContact OE1-CE1 2.98Å; E115-H217 IonicContact OE1-NE2 2.87Å; E115-H217 IonicContact OE2-CD2 2.8Å; E115-H217 IonicContact OE2-CE1 2.68Å; E115-H217 PolarHBondContact OE2-CE1 3.39Å; E115-H217 IonicContact OE2-NE2 3.59Å; E115-H217 PolarHBondContact OE2-NE2 2.8Å; F213-H217 HydrophobicContact CE1-CB 3.95Å; F213-H217 HydrophobicContact CE2-CB 4.33Å; F213-H217 HydrophobicContact CZ-CB 3.52Å; P214-H217 PolarHBondContact O-N 3.47Å; L215-H217 PolarHBondContact O-N 3.45Å; L215-H217 VanDerWaalsContact O-N 3.13Å; H217-L220 PolarHBondContact O-N 3.49Å; H217-L221 WeakPolarHBondContact O-CB 3.38Å; H217-L221 PolarHBondContact O-N 2.98Å
218Y93.5Very high92.6Very high118 Ų11882.6 Ų82.646%0.46341%0.413SS..Hα-helixtrans-60.9-50-174.4-169.5-85.6000112L215 L220 L221 E222L215-Y218 WeakPolarHBondContact O-CB 3.23Å; L215-Y218 PolarHBondContact O-N 3.25Å; Y218-L220 PolarHBondContact O-N 3.21Å; Y218-L221 WeakPolarHBondContact O-CB 3.4Å; Y218-L221 PolarHBondContact O-N 3.36Å; Y218-L221 VanDerWaalsContact O-N 3.11Å; Y218-E222 PolarHBondContact O-N 3.4Å
219D94.7Very high93.1Very high113 Ų11377.4 Ų77.460%0.60439%0.394SS*.Hα-helixtrans-61.7-34.9-179.4-61.2-10.5000112Q223D219-Q223 WeakPolarHBondContact O-CG 3.31Å; D219-Q223 PolarHBondContact O-N 3.18Å; D219-Q223 PolarHBondContact O-NE2 3.13Å
220L95Very high93.4Very high21 Ų2173.5 Ų73.511%0.1138%0.383CS..Hα-helixtrans-73.4-40.8176.4-178.555.7000111.5L111 F122 L125 H217 Y218 E222 Q223 C224L111-L220 HydrophobicContact CD2-CD2 3.47Å; L111-L220 VanDerWaalsContact CD2-CD2 3.47Å; L111-L220 HydrophobicContact CD2-CG 3.84Å; F122-L220 HydrophobicContact CB-CD1 3.88Å; L125-L220 HydrophobicContact CD1-CD1 4.22Å; L125-L220 HydrophobicContact CD1-CD2 4.12Å; L125-L220 HydrophobicContact CD1-CG 4.17Å; H217-L220 PolarHBondContact O-N 3.49Å; Y218-L220 PolarHBondContact O-N 3.21Å; L220-E222 VanDerWaalsContact C-N 3.29Å; L220-E222 PolarHBondContact O-N 3.11Å; L220-Q223 PolarHBondContact O-N 3.04Å; L220-C224 WeakPolarHBondContact O-CB 3.4Å; L220-C224 PolarHBondContact O-N 3.09Å; L220-C224 PolarHBondContact O-SG 2.88Å
221L95.6Very high93.9Very high17 Ų1768 Ų689%0.08935%0.347CS..Hα-helixtrans-57.7-44.7172.1170.366.3000110.9P107 L108 L111 F213 H217 Y218 Q223 C224 L225P107-L221 HydrophobicContact CB-CD1 3.91Å; L108-L221 HydrophobicContact CD2-CD1 4.06Å; L108-L221 HydrophobicContact CD2-CD2 3.43Å; L108-L221 VanDerWaalsContact CD2-CD2 3.43Å; L108-L221 HydrophobicContact CD2-CG 4.39Å; L108-L221 HydrophobicContact CG-CD1 3.83Å; L108-L221 HydrophobicContact CG-CD2 4.09Å; L111-L221 HydrophobicContact CD1-CB 3.79Å; L111-L221 HydrophobicContact CD1-CD1 4.36Å; F213-L221 HydrophobicContact CE1-CB 4.46Å; F213-L221 HydrophobicContact CE1-CD2 3.97Å; F213-L221 HydrophobicContact CE2-CD2 4.44Å; F213-L221 HydrophobicContact CZ-CB 3.93Å; F213-L221 HydrophobicContact CZ-CD2 3.85Å; F213-L221 HydrophobicContact CZ-CG 4.41Å; H217-L221 WeakPolarHBondContact O-CB 3.38Å; H217-L221 PolarHBondContact O-N 2.98Å; Y218-L221 WeakPolarHBondContact O-CB 3.4Å; Y218-L221 PolarHBondContact O-N 3.36Å; Y218-L221 VanDerWaalsContact O-N 3.11Å; L221-Q223 VanDerWaalsContact C-N 3.3Å; L221-Q223 PolarHBondContact O-N 2.92Å; L221-C224 PolarHBondContact O-N 2.86Å; L221-C224 VanDerWaalsContact O-N 3.15Å; L221-L225 HydrophobicContact CD1-CB 4.41Å; L221-L225 VanDerWaalsContact O-CB 3.25Å; L221-L225 WeakPolarHBondContact O-CB 3.26Å; L221-L225 PolarHBondContact O-N 2.8Å
222E95.2Very high94.2Very high118 Ų11866.7 Ų66.755%0.55134%0.337SS*.Hα-helixtrans-61.5-38.7-178.6-142177.9-163.800111.8Y218 L220 P226Y218-E222 PolarHBondContact O-N 3.4Å; L220-E222 VanDerWaalsContact C-N 3.29Å; L220-E222 PolarHBondContact O-N 3.11Å; E222-P226 WeakPolarHBondContact O-CD 3.39Å
223Q95.6Very high94Very high106 Ų10664 Ų6450%0.49532%0.323SS..Hα-helixtrans-69.1-38.7173.6-70.716970.300112.9F122 D219 L220 L221F122-Q223 HydrophobicContact CD2-CB 3.87Å; F122-Q223 HydrophobicContact CE2-CB 4.17Å; D219-Q223 WeakPolarHBondContact O-CG 3.31Å; D219-Q223 PolarHBondContact O-N 3.18Å; D219-Q223 PolarHBondContact O-NE2 3.13Å; L220-Q223 PolarHBondContact O-N 3.04Å; L221-Q223 VanDerWaalsContact C-N 3.3Å; L221-Q223 PolarHBondContact O-N 2.92Å
224C96Very high93.9Very high0 Ų066.3 Ų66.30%033%0.334CS..Hα-helixtrans-82.4-32.3-173.7-71.40000114.1P107 L125 L127 L220 L221 L227 Y228P107-C224 HydrophobicContact CB-CB 3.94Å; P107-C224 HydrophobicContact CG-CB 3.77Å; L125-C224 WeakPolarHBondContact CD1-SG 3.24Å; L127-C224 HydrophobicContact CD1-CB 3.55Å; L220-C224 WeakPolarHBondContact O-CB 3.4Å; L220-C224 PolarHBondContact O-N 3.09Å; L220-C224 PolarHBondContact O-SG 2.88Å; L221-C224 PolarHBondContact O-N 2.86Å; L221-C224 VanDerWaalsContact O-N 3.15Å; C224-L227 PolarHBondContact O-N 3.33Å; C224-Y228 PolarHBondContact O-N 3.21Å
225L94.9Very high93.7Very high55 Ų5565.5 Ų65.529%0.28833%0.327SS..Hα-helixtrans-62.7-39.9-171.2-170.965.6000113.8L221 L227 Y228 N229L221-L225 HydrophobicContact CD1-CB 4.41Å; L221-L225 VanDerWaalsContact O-CB 3.25Å; L221-L225 WeakPolarHBondContact O-CB 3.26Å; L221-L225 PolarHBondContact O-N 2.8Å; L225-L227 VanDerWaalsContact C-N 3.31Å; L225-L227 PolarHBondContact O-N 2.87Å; L225-Y228 HydrophobicContact CD1-CD1 4.12Å; L225-Y228 PolarHBondContact O-N 3.17Å; L225-N229 WeakPolarHBondContact O-CB 3.47Å; L225-N229 VanDerWaalsContact O-CG 3.3Å; L225-N229 PolarHBondContact O-N 3.23Å; L225-N229 PolarHBondContact O-ND2 2.98Å
226P94.9Very high93Very high69 Ų6965.5 Ų65.545%0.44832%0.322SS..Hα-helixtrans-57.6-41.2174.2-26.836.1000113.1E222 N229 I230E222-P226 WeakPolarHBondContact O-CD 3.39Å; P226-N229 PolarHBondContact O-N 2.72Å; P226-I230 VanDerWaalsContact O-CG1 3.32Å; P226-I230 WeakPolarHBondContact O-CG1 3.36Å; P226-I230 PolarHBondContact O-N 2.99Å
227L96.8Very high91.9Very high32 Ų3264.5 Ų64.517%0.16832%0.315CS..Hα-helixtrans-66.9-43.8-179.8-57178.9000111.9F122 L127 V131 C224 L225 N229 I230 L231F122-L227 HydrophobicContact CE2-CD1 3.66Å; F122-L227 HydrophobicContact CZ-CD1 3.6Å; L127-L227 HydrophobicContact CB-CB 4.16Å; L127-L227 HydrophobicContact CB-CD1 3.97Å; V131-L227 HydrophobicContact CG2-CB 3.97Å; V131-L227 HydrophobicContact CG2-CD2 4.12Å; C224-L227 PolarHBondContact O-N 3.33Å; L225-L227 VanDerWaalsContact C-N 3.31Å; L225-L227 PolarHBondContact O-N 2.87Å; L227-N229 VanDerWaalsContact C-N 3.33Å; L227-N229 PolarHBondContact O-N 3.31Å; L227-I230 PolarHBondContact O-N 3.17Å; L227-L231 PolarHBondContact O-N 3.35Å
228Y95.9Very high90.6Very high3 Ų368.9 Ų68.91%0.01233%0.334CS..Hα-helixtrans-59-45171.7166.9-99.7000111.4I104 R105 N106 D148 C224 L225 I230 L231 R232I104-Y228 HydrophobicContact CB-CD2 4.12Å; I104-Y228 HydrophobicContact CB-CE2 4.13Å; I104-Y228 HydrophobicContact CD1-CD2 4.07Å; I104-Y228 HydrophobicContact CD1-CE2 3.68Å; I104-Y228 HydrophobicContact CG1-CD2 4.36Å; I104-Y228 HydrophobicContact CG1-CE2 3.92Å; R105-Y228 VanDerWaalsContact C-CE2 3.49Å; R105-Y228 WeakPolarHBondContact O-CD2 3.47Å; N106-Y228 HydrophobicContact CB-CE1 4.12Å; N106-Y228 HydrophobicContact CB-CE2 4.27Å; D148-Y228 WeakPolarHBondContact OD2-CE2 3.5Å; D148-Y228 PolarHBondContact OD2-OH 3.06Å; C224-Y228 PolarHBondContact O-N 3.21Å; L225-Y228 HydrophobicContact CD1-CD1 4.12Å; L225-Y228 PolarHBondContact O-N 3.17Å; Y228-I230 PolarHBondContact O-N 2.99Å; Y228-L231 PolarHBondContact O-N 2.85Å; Y228-R232 HydrophobicContact CE1-CB 4.4Å; Y228-R232 HydrophobicContact CE1-CG 4.48Å; Y228-R232 VanDerWaalsContact O-CB 3.31Å; Y228-R232 WeakPolarHBondContact O-CB 3.46Å; Y228-R232 PolarHBondContact O-N 3.17Å; Y228-R232 WeakPolarHBondContact OH-CD 3.43Å; Y228-R232 PolarHBondContact OH-NE 2.9Å
229N93.1Very high89Confident64 Ų6465.6 Ų65.634%0.34233%0.328SS..Hα-helixtrans-65.5-37.3-178.9-75.1-25.4000112.8L225 P226 L227 R232 C233L225-N229 WeakPolarHBondContact O-CB 3.47Å; L225-N229 VanDerWaalsContact O-CG 3.3Å; L225-N229 PolarHBondContact O-N 3.23Å; L225-N229 PolarHBondContact O-ND2 2.98Å; P226-N229 PolarHBondContact O-N 2.72Å; L227-N229 VanDerWaalsContact C-N 3.33Å; L227-N229 PolarHBondContact O-N 3.31Å; N229-R232 PolarHBondContact O-N 2.67Å; N229-C233 PolarHBondContact O-N 3.31Å; N229-C233 PolarHBondContact O-SG 3.12Å
230I93.3Very high87.1Confident80 Ų8062.4 Ų62.441%0.4132%0.315SS..Hα-helixtrans-56.2-52.3173.3-72.1164000109.8P226 L227 Y228 R232 C233 H234P226-I230 VanDerWaalsContact O-CG1 3.32Å; P226-I230 WeakPolarHBondContact O-CG1 3.36Å; P226-I230 PolarHBondContact O-N 2.99Å; L227-I230 PolarHBondContact O-N 3.17Å; Y228-I230 PolarHBondContact O-N 2.99Å; I230-R232 PolarHBondContact O-N 3.49Å; I230-C233 WeakPolarHBondContact O-CB 3.2Å; I230-C233 PolarHBondContact O-N 3.16Å; I230-H234 PolarHBondContact O-CD2 2.84Å
231L95.8Very high85.2Confident0 Ų070 Ų700%035%0.354CS..Hα-helixtrans-64.6-42.3179-65.3169000111.8I102 I104 L130 V131 Y134 I146 L227 Y228 C233 H234I102-L231 HydrophobicContact CD1-CD2 4.32Å; I104-L231 HydrophobicContact CD1-CB 4.31Å; I104-L231 HydrophobicContact CG2-CB 3.79Å; I104-L231 HydrophobicContact CG2-CD1 3.67Å; I104-L231 HydrophobicContact CG2-CG 4.34Å; L130-L231 HydrophobicContact CB-CD1 3.74Å; L130-L231 HydrophobicContact CD1-CD1 4.38Å; V131-L231 HydrophobicContact CG2-CD1 4.06Å; V131-L231 HydrophobicContact CG2-CD2 4.35Å; V131-L231 HydrophobicContact CG2-CG 3.98Å; Y134-L231 HydrophobicContact CD1-CD2 4.4Å; Y134-L231 HydrophobicContact CD2-CD2 4.38Å; Y134-L231 HydrophobicContact CG-CD2 3.87Å; I146-L231 HydrophobicContact CD1-CB 4.38Å; I146-L231 HydrophobicContact CD1-CD2 4.28Å; I146-L231 VanDerWaalsContact CD1-O 3.31Å; I146-L231 WeakPolarHBondContact CD1-O 3.47Å; L227-L231 PolarHBondContact O-N 3.35Å; Y228-L231 PolarHBondContact O-N 2.85Å; L231-C233 PolarHBondContact O-N 3.39Å; L231-H234 PolarHBondContact O-N 2.79Å
232R92.3Very high83.1Confident99 Ų9976.7 Ų76.737%0.37439%0.389SS..Hα-helixtrans-60.7-30.6179.4-168.1-173.2-173.4-179.62.5113I104 Y228 N229 I230 H234 M235 K238I104-R232 HydrophobicContact CD1-CB 3.93Å; I104-R232 HydrophobicContact CD1-CG 4.4Å; Y228-R232 HydrophobicContact CE1-CB 4.4Å; Y228-R232 HydrophobicContact CE1-CG 4.48Å; Y228-R232 VanDerWaalsContact O-CB 3.31Å; Y228-R232 WeakPolarHBondContact O-CB 3.46Å; Y228-R232 PolarHBondContact O-N 3.17Å; Y228-R232 WeakPolarHBondContact OH-CD 3.43Å; Y228-R232 PolarHBondContact OH-NE 2.9Å; N229-R232 PolarHBondContact O-N 2.67Å; I230-R232 PolarHBondContact O-N 3.49Å; R232-H234 PolarHBondContact O-N 2.97Å; R232-M235 HydrophobicContact CG-SD 3.83Å; R232-M235 PolarHBondContact O-N 2.65Å; R232-K238 WeakPolarHBondContact O-CE 3.47Å
233C88.1Confident81.2Confident78 Ų7874 Ų7453%0.52738%0.384SS..Hα-helixtrans-62.9-24.8175.5-75.20000112.9N229 I230 L231N229-C233 PolarHBondContact O-N 3.31Å; N229-C233 PolarHBondContact O-SG 3.12Å; I230-C233 WeakPolarHBondContact O-CB 3.2Å; I230-C233 PolarHBondContact O-N 3.16Å; L231-C233 PolarHBondContact O-N 3.39Å
234H90.2Very high79.5Confident91 Ų9172.6 Ų72.642%0.42139%0.386SS..THydrogen-bonded Turntrans-97.95.2-177.7-62.9-71.3000114.2Y134 I146 I230 L231 R232 K236Y134-H234 AromaticContact CE1-CD2 3.54Å; Y134-H234 AromaticContact CE1-NE2 3.71Å; Y134-H234 HydrophobicContact CE2-CB 4.11Å; Y134-H234 AromaticContact CZ-CD2 3.55Å; Y134-H234 AromaticContact CZ-CG 3.54Å; Y134-H234 AromaticContact CZ-ND1 3.92Å; Y134-H234 AromaticContact CZ-NE2 3.97Å; Y134-H234 PolarHBondContact OH-CD2 3.11Å; Y134-H234 PolarHBondContact OH-CE1 3.02Å; Y134-H234 PolarHBondContact OH-ND1 3.45Å; I146-H234 HydrophobicContact CD1-CB 3.68Å; I230-H234 PolarHBondContact O-CD2 2.84Å; L231-H234 PolarHBondContact O-N 2.79Å; R232-H234 PolarHBondContact O-N 2.97Å; H234-K236 PolarHBondContact O-N 3.08Å
235M88.9Confident77.9Confident17 Ų1779.5 Ų79.58%0.08443%0.428CS..  trans-66129.2171.1-68.7175.867.100111.3I104 I146 D148 E151 R232 H237 K238I104-M235 HydrophobicContact CD1-CG 4.35Å; I104-M235 HydrophobicContact CD1-SD 3.93Å; I146-M235 HydrophobicContact CB-CG 4.08Å; I146-M235 HydrophobicContact CG2-CG 3.71Å; D148-M235 HydrophobicContact CB-CE 3.45Å; D148-M235 VanDerWaalsContact CB-CE 3.45Å; D148-M235 HydrophobicContact CB-SD 3.82Å; E151-M235 HydrophobicContact CG-CE 4.18Å; R232-M235 HydrophobicContact CG-SD 3.83Å; R232-M235 PolarHBondContact O-N 2.65Å; M235-H237 WeakPolarHBondContact CE-O 3.47Å; M235-K238 HydrophobicContact CB-CG 4.38Å
236K78.3Confident76.8Confident143 Ų14383.1 Ų83.162%0.62245%0.447SS*.SBendtrans-72.8-39.8176.4-66.2-178.4-175.1175.40112.8D166 H234D166-K236 WeakPolarHBondContact OD1-CD 3.33Å; D166-K236 IonicContact OD1-NZ 2.8Å; D166-K236 PolarHBondContact OD1-NZ 2.87Å; H234-K236 PolarHBondContact O-N 3.08Å
237H68.6Low75.8Confident118 Ų11884.7 Ų84.755%0.54646%0.457SS..  trans-117.6123.8-178.4-64.6-83.4000110.3S162 M235S162-H237 PolarHBondContact OG-CD2 3.13Å; S162-H237 PolarHBondContact OG-NE2 3.33Å; M235-H237 WeakPolarHBondContact CE-O 3.47Å
238K67.1Low74.9Confident104 Ų10489 Ų8945%0.45249%0.487SS..  trans-120.9108.1169.5-62.8174.4-174.4172.30106.1R232 M235R232-K238 WeakPolarHBondContact O-CE 3.47Å; M235-K238 HydrophobicContact CB-CG 4.38Å
239S59.8Low74.4Confident50 Ų5094.2 Ų94.235%0.3552%0.521SS..  trans-73.4133.8160.3172.30000105E151 R154E151-S239 WeakPolarHBondContact OE2-CA 3.33Å; E151-S239 WeakPolarHBondContact OE2-CB 3.45Å; E151-S239 PolarHBondContact OE2-N 2.85Å; R154-S239 PolarHBondContact NH1-OG 3.23Å; R154-S239 PolarHBondContact NH2-O 3.25Å; R154-S239 PolarHBondContact NH2-OG 2.73Å
240S54.8Low74.3Confident46 Ų4696.8 Ų96.832%0.32254%0.544SS..  trans-151.6157.1165.181.50000108.4L242 S243S240-L242 PolarHBondContact O-N 2.83Å; S240-L242 WeakPolarHBondContact OG-CA 3.45Å; S240-L242 PolarHBondContact OG-N 3.5Å; S240-S243 PolarHBondContact N-OG 2.85Å; S240-S243 PolarHBondContact O-N 3.01Å; S240-S243 PolarHBondContact O-OG 3.21Å; S240-S243 PolarHBondContact OG-N 2.95Å
241L53.3Low74.3Confident179 Ų17995.6 Ų95.694%0.93754%0.538SS*.THydrogen-bonded Turntrans-53.7-13.8167.1-68.7164.1000112.5
242L51.2Low74.1Confident158 Ų158102 Ų10283%0.82758%0.58SS**THydrogen-bonded Turntrans-119.38.5-179.3-62170.9000113.4S240 S244S240-L242 PolarHBondContact O-N 2.83Å; S240-L242 WeakPolarHBondContact OG-CA 3.45Å; S240-L242 PolarHBondContact OG-N 3.5Å; L242-S244 PolarHBondContact O-N 2.92Å
243S56.4Low74.2Confident62 Ų6298.3 Ų98.343%0.43457%0.569SS.*  trans-71.195172.658.40000105.9S240 T245S240-S243 PolarHBondContact N-OG 2.85Å; S240-S243 PolarHBondContact O-N 3.01Å; S240-S243 PolarHBondContact O-OG 3.21Å; S240-S243 PolarHBondContact OG-N 2.95Å; S243-T245 PolarHBondContact O-N 3.28Å
244S59.4Low74.6Confident77 Ų7799 Ų9954%0.53857%0.572SS.*  trans-51.7126.6170.1-177.80000107.8L242 L246L242-S244 PolarHBondContact O-N 2.92Å; S244-L246 PolarHBondContact O-N 3.09Å; S244-L246 WeakPolarHBondContact OG-CB 3.25Å; S244-L246 WeakPolarHBondContact OG-CD1 3.35Å; S244-L246 WeakPolarHBondContact OG-CG 3.38Å; S244-L246 PolarHBondContact OG-N 2.6Å; S244-L246 VanDerWaalsContact OG-N 3.17Å
245T63.2Low74.7Confident145 Ų145100.4 Ų100.489%0.8958%0.579SS**SBendtrans-68.8-5.1169.351.90000111.7S243S243-T245 PolarHBondContact O-N 3.28Å
246L71.2Confident75.1Confident130 Ų130100.1 Ų100.168%0.68158%0.578SS**SBendtrans-72.7133.4177.7-54.3172.2000109.6S244S244-L246 PolarHBondContact O-N 3.09Å; S244-L246 WeakPolarHBondContact OG-CB 3.25Å; S244-L246 WeakPolarHBondContact OG-CD1 3.35Å; S244-L246 WeakPolarHBondContact OG-CG 3.38Å; S244-L246 PolarHBondContact OG-N 2.6Å; S244-L246 VanDerWaalsContact OG-N 3.17Å
247P74.8Confident75.9Confident102 Ų10296 Ų9666%0.66257%0.571SS**PPolyproline II helixtrans-58.1152.8170.926.8-34.2000110
248P77.1Confident77.1Confident124 Ų12499.5 Ų99.581%0.80558%0.584SS**PPolyproline II helixtrans-51.6125.4170.2-22.832.2000109.4
249P85.4Confident78.5Confident112 Ų11294.6 Ų94.673%0.72756%0.563SS**PPolyproline II helixtrans-67.4145.3-178.627.6-34000110.1
250S90.9Very high80.3Confident118 Ų11894.5 Ų94.583%0.82556%0.558SS**PPolyproline II helixtrans-66.6136.4166.3510000109.6
251L92.8Very high82.4Confident54 Ų5492.4 Ų92.428%0.28354%0.544SS..PPolyproline II helixtrans-75143.4172.3-61.7-179000109.5V253 N256 A257L251-V253 WeakPolarHBondContact CB-O 3.5Å; L251-V253 PolarHBondContact O-N 3.35Å; L251-V253 VanDerWaalsContact O-N 3.15Å; L251-N256 HydrophobicContact CD1-CB 4.34Å; L251-A257 HydrophobicContact CD1-CB 3.76Å
252P91.9Very high84.6Confident135 Ų13585 Ų8588%0.87750%0.504SS*.SBendtrans-55-31.3173.2-27.135000113.4
253V95.2Very high86.8Confident22 Ų2278.4 Ų78.413%0.13347%0.469CS..SBendtrans-130.4108.6172.5178.90000107.5L251 E255 N256 W377L251-V253 WeakPolarHBondContact CB-O 3.5Å; L251-V253 PolarHBondContact O-N 3.35Å; L251-V253 VanDerWaalsContact O-N 3.15Å; V253-E255 HydrophobicContact CG1-CB 4.27Å; V253-E255 WeakPolarHBondContact CG1-OE2 3.21Å; V253-E255 PolarHBondContact O-N 3.21Å; V253-N256 WeakPolarHBondContact O-CB 3.31Å; V253-N256 PolarHBondContact O-N 3.15Å; V253-N256 VanDerWaalsContact O-N 3.16Å; V253-W377 HydrophobicContact CG1-CB 3.93Å; V253-W377 WeakPolarHBondContact CG2-O 3.11Å
254P95.1Very high88.7Confident93 Ų9376.9 Ų76.960%0.60446%0.463SS*.G310 helixtrans-56.4-33.4-175-28.836.5000114.8N256 A257P254-N256 PolarHBondContact O-N 2.91Å; P254-A257 VanDerWaalsContact O-CB 3.27Å; P254-A257 WeakPolarHBondContact O-CB 3.48Å; P254-A257 PolarHBondContact O-N 3.29Å
255E93.6Very high90.4Very high120 Ų12079.6 Ų79.656%0.56147%0.472SS*.G310 helixtrans-60.2-27.5-179.6-64.976.7-17300112.2V253 A257 K258 W377V253-E255 HydrophobicContact CG1-CB 4.27Å; V253-E255 WeakPolarHBondContact CG1-OE2 3.21Å; V253-E255 PolarHBondContact O-N 3.21Å; E255-A257 PolarHBondContact O-N 2.77Å; E255-A257 VanDerWaalsContact O-N 3.1Å; E255-K258 PolarHBondContact O-N 3.34Å; E255-W377 HydrophobicContact CB-CD2 4.48Å; E255-W377 HydrophobicContact CB-CE3 3.7Å; E255-W377 HydrophobicContact CB-CZ3 3.83Å
256N96.6Very high92Very high10 Ų1078.1 Ų78.15%0.05346%0.455CS..G310 helixtrans-67.2-8.3177-72.9-28.1000113.6L251 V253 P254 K258 L259 R270 W377L251-N256 HydrophobicContact CD1-CB 4.34Å; V253-N256 WeakPolarHBondContact O-CB 3.31Å; V253-N256 PolarHBondContact O-N 3.15Å; V253-N256 VanDerWaalsContact O-N 3.16Å; P254-N256 PolarHBondContact O-N 2.91Å; N256-K258 PolarHBondContact O-N 3.11Å; N256-L259 HydrophobicContact CB-CD2 4.02Å; N256-L259 WeakPolarHBondContact O-CD2 3.48Å; N256-L259 WeakPolarHBondContact O-CG 3.28Å; N256-R270 WeakPolarHBondContact O-CD 3.31Å; N256-W377 PolarHBondContact ND2-O 3.3Å; N256-W377 VanDerWaalsContact OD1-CE3 3.29Å; N256-W377 PolarHBondContact OD1-N 3.2Å
257A94.8Very high93.3Very high58 Ų5873.8 Ų73.848%0.47943%0.432SS..G310 helixtrans-63.2-26.6176.700000113.2L251 P254 E255L251-A257 HydrophobicContact CD1-CB 3.76Å; P254-A257 VanDerWaalsContact O-CB 3.27Å; P254-A257 WeakPolarHBondContact O-CB 3.48Å; P254-A257 PolarHBondContact O-N 3.29Å; E255-A257 PolarHBondContact O-N 2.77Å; E255-A257 VanDerWaalsContact O-N 3.1Å
258K94.3Very high94.4Very high190 Ų19069.5 Ų69.583%0.82640%0.404SS*.G310 helixtrans-118.424.7-177.6-66.8-173.9177.7-179.60113.4E255 N256E255-K258 PolarHBondContact O-N 3.34Å; N256-K258 PolarHBondContact O-N 3.11Å
259L96.7Very high95.4Very high1 Ų167 Ų671%0.00539%0.388CS..  trans-66.6157.2176.171.180.8000112.1N256 A261 R270 M340 L374 E376N256-L259 HydrophobicContact CB-CD2 4.02Å; N256-L259 WeakPolarHBondContact O-CD2 3.48Å; N256-L259 WeakPolarHBondContact O-CG 3.28Å; L259-A261 HydrophobicContact CD1-CB 4.2Å; L259-R270 HydrophobicContact CD1-CB 4.08Å; L259-R270 HydrophobicContact CD1-CG 4.41Å; L259-R270 HydrophobicContact CG-CB 4.18Å; L259-R270 HydrophobicContact CG-CG 4.43Å; L259-R270 PolarHBondContact O-N 3.22Å; L259-M340 HydrophobicContact CB-CE 4.45Å; L259-L374 HydrophobicContact CD1-CD1 4.09Å; L259-L374 HydrophobicContact CD2-CD1 4.43Å; L259-E376 HydrophobicContact CD2-CG 3.69Å
260L98.4Very high95.8Very high49 Ų4965.5 Ų65.526%0.25737%0.368SS..EExtended strand (participates in β ladder)trans-111.8129.6173.3-64.7165.7000109I267 V268 P269 T337 N338L260-I267 HydrophobicContact CB-CG2 3.63Å; L260-I267 HydrophobicContact CG-CG2 4.45Å; L260-V268 CarbonylContact C-O 3.51Å; L260-V268 WeakPolarHBondContact CA-O 3.3Å; L260-P269 HydrophobicContact CD2-CB 4.46Å; L260-P269 HydrophobicContact CD2-CG 4.16Å; L260-T337 HydrophobicContact CD1-CG2 3.49Å; L260-T337 VanDerWaalsContact CD1-CG2 3.49Å; L260-N338 PolarHBondContact N-OD1 2.98Å; L260-N338 PolarHBondContact O-ND2 2.89Å
261A98.6Very high95.8Very high2 Ų266 Ų662%0.01736%0.357CS..EExtended strand (participates in β ladder)trans-116.3148.2-179.800000110.6L259 I267 V268 A273 L374L259-A261 HydrophobicContact CD1-CB 4.2Å; A261-I267 CarbonylContact O-C 3.55Å; A261-I267 WeakPolarHBondContact O-CA 3.32Å; A261-V268 PolarHBondContact N-O 3.36Å; A261-V268 PolarHBondContact O-N 3.48Å; A261-A273 HydrophobicContact CB-CB 3.9Å; A261-L374 HydrophobicContact CB-CD1 4.41Å
262W98.8Very high95.7Very high24 Ų2468.5 Ų68.59%0.09137%0.369CS..EExtended strand (participates in β ladder)trans-84131.2169.3-172.9-72.1000109.9G264 E266 I267 A330 R333 T334 I372 V373W262-G264 PolarHBondContact NE1-O 2.97Å; W262-E266 CarbonylContact C-O 3.59Å; W262-E266 VanDerWaalsContact CA-O 3.31Å; W262-E266 WeakPolarHBondContact CA-O 3.17Å; W262-I267 HydrophobicContact CD2-CG1 4.48Å; W262-I267 HydrophobicContact CE3-CD1 4.16Å; W262-I267 HydrophobicContact CE3-CG1 3.65Å; W262-I267 HydrophobicContact CZ3-CD1 4.44Å; W262-I267 HydrophobicContact CZ3-CG1 4.2Å; W262-A330 HydrophobicContact CD2-CB 3.65Å; W262-A330 HydrophobicContact CE3-CB 3.81Å; W262-A330 HydrophobicContact CG-CB 4.21Å; W262-A330 HydrophobicContact CH2-CB 4.04Å; W262-A330 HydrophobicContact CZ2-CB 3.88Å; W262-A330 HydrophobicContact CZ3-CB 4Å; W262-R333 HydrophobicContact CZ3-CB 4.24Å; W262-R333 VanDerWaalsContact CZ3-NH1 3.35Å; W262-T334 WeakPolarHBondContact CB-OG1 3.28Å; W262-I372 VanDerWaalsContact O-CA 3.31Å; W262-I372 WeakPolarHBondContact O-CA 3.47Å; W262-V373 HydrophobicContact CB-CB 3.64Å; W262-V373 HydrophobicContact CB-CG2 3.78Å; W262-V373 HydrophobicContact CG-CG2 4.14Å; W262-V373 PolarHBondContact N-O 3.22Å; W262-V373 PolarHBondContact O-N 3.38Å
263V98.4Very high96Very high18 Ų1863.9 Ų63.911%0.10934%0.341CS..EExtended strand (participates in β ladder)trans-138.3118.8171.7-175.80000109.3D265 E266 V268 A273 V275 T370V263-D265 PolarHBondContact O-N 3.36Å; V263-E266 PolarHBondContact N-O 3.46Å; V263-E266 PolarHBondContact O-N 3.03Å; V263-V268 HydrophobicContact CB-CG2 4.45Å; V263-V268 HydrophobicContact CG2-CG2 4.12Å; V263-A273 HydrophobicContact CG2-CB 4Å; V263-V275 HydrophobicContact CG1-CG1 4.24Å; V263-T370 HydrophobicContact CG1-CG2 4.47Å
264G96.7Very high96Very high30 Ų3069.6 Ų69.631%0.30937%0.365SS..THydrogen-bonded Turntrans72.2-98.5-177.800000111.3W262 L371W262-G264 PolarHBondContact NE1-O 2.97Å; G264-L371 PolarHBondContact N-O 2.92Å
265D95.1Very high96.1Very high135 Ų13567.4 Ų67.472%0.72235%0.35SS*.THydrogen-bonded Turntrans-126.53.8-175.558-16.1000113.6V263V263-D265 PolarHBondContact O-N 3.36Å
266E96.9Very high96.2Very high113 Ų11363.9 Ų63.953%0.52834%0.338SS..EExtended strand (participates in β ladder)trans-132.4156.8-175.357.6173.3174.300114.1W262 V263 V268W262-E266 CarbonylContact C-O 3.59Å; W262-E266 VanDerWaalsContact CA-O 3.31Å; W262-E266 WeakPolarHBondContact CA-O 3.17Å; V263-E266 PolarHBondContact N-O 3.46Å; V263-E266 PolarHBondContact O-N 3.03Å; E266-V268 HydrophobicContact CB-CG1 4.44Å; E266-V268 HydrophobicContact CG-CG1 3.75Å
267I98.5Very high96.2Very high40 Ų4068.3 Ų68.321%0.20537%0.365CS..EExtended strand (participates in β ladder)trans-98.2120.5171-62.9178000108.1L260 A261 W262 R333 T337L260-I267 HydrophobicContact CB-CG2 3.63Å; L260-I267 HydrophobicContact CG-CG2 4.45Å; A261-I267 CarbonylContact O-C 3.55Å; A261-I267 WeakPolarHBondContact O-CA 3.32Å; W262-I267 HydrophobicContact CD2-CG1 4.48Å; W262-I267 HydrophobicContact CE3-CD1 4.16Å; W262-I267 HydrophobicContact CE3-CG1 3.65Å; W262-I267 HydrophobicContact CZ3-CD1 4.44Å; W262-I267 HydrophobicContact CZ3-CG1 4.2Å; I267-R333 HydrophobicContact CD1-CB 4.03Å; I267-T337 HydrophobicContact CG2-CG2 4.42Å
268V97.9Very high96.4Very high12 Ų1270.2 Ų70.27%0.07336%0.363CS..EExtended strand (participates in β ladder)trans-127.9152-174.3-65.70000112.1L260 A261 V263 E266 M272 A273L260-V268 CarbonylContact C-O 3.51Å; L260-V268 WeakPolarHBondContact CA-O 3.3Å; A261-V268 PolarHBondContact N-O 3.36Å; A261-V268 PolarHBondContact O-N 3.48Å; V263-V268 HydrophobicContact CB-CG2 4.45Å; V263-V268 HydrophobicContact CG2-CG2 4.12Å; E266-V268 HydrophobicContact CB-CG1 4.44Å; E266-V268 HydrophobicContact CG-CG1 3.75Å; V268-M272 HydrophobicContact CB-CB 4.09Å; V268-M272 HydrophobicContact CG2-CB 4.48Å; V268-A273 HydrophobicContact CG2-CB 4.01Å
269P96.8Very high96.5Very high71 Ų7161.2 Ų61.246%0.46132%0.324SS..EExtended strand (participates in β ladder)trans-57151.2171.2-24.534.7000112.9L260 E271 M272 A273L260-P269 HydrophobicContact CD2-CB 4.46Å; L260-P269 HydrophobicContact CD2-CG 4.16Å; P269-E271 PolarHBondContact O-N 2.86Å; P269-M272 CarbonylContact O-C 3.39Å; P269-M272 WeakPolarHBondContact O-CA 3.29Å; P269-M272 PolarHBondContact O-N 3.47Å; P269-A273 PolarHBondContact O-N 3.38Å
270R95.1Very high96.5Very high80 Ų8061.1 Ų61.130%0.30232%0.323SS..G310 helixtrans-40.9-46.4177.8-175.9177179.6100.75114.3N256 L259 M272 A273 E376N256-R270 WeakPolarHBondContact O-CD 3.31Å; L259-R270 HydrophobicContact CD1-CB 4.08Å; L259-R270 HydrophobicContact CD1-CG 4.41Å; L259-R270 HydrophobicContact CG-CB 4.18Å; L259-R270 HydrophobicContact CG-CG 4.43Å; L259-R270 PolarHBondContact O-N 3.22Å; R270-M272 VanDerWaalsContact C-N 3.27Å; R270-M272 PolarHBondContact O-N 3Å; R270-A273 WeakPolarHBondContact O-CB 3.49Å; R270-A273 PolarHBondContact O-N 2.86Å; R270-E376 IonicContact NH1-OE1 2.69Å; R270-E376 PolarHBondContact NH1-OE1 2.95Å
271E88.9Confident96.4Very high128 Ų12860.4 Ų60.460%0.59832%0.321SS*.G310 helixtrans-72.6-17.2-177.9-64.6-54.8129.100114.5P269 K274P269-E271 PolarHBondContact O-N 2.86Å; E271-K274 WeakPolarHBondContact O-CE 3.42Å; E271-K274 PolarHBondContact O-NZ 2.83Å
272M92.2Very high96.3Very high108 Ų10864.2 Ų64.253%0.53234%0.344SS..G310 helixtrans-101.3-10.6177.4-60.4-57.8152.100112.4V268 P269 R270 K274V268-M272 HydrophobicContact CB-CB 4.09Å; V268-M272 HydrophobicContact CG2-CB 4.48Å; P269-M272 CarbonylContact O-C 3.39Å; P269-M272 WeakPolarHBondContact O-CA 3.29Å; P269-M272 PolarHBondContact O-N 3.47Å; R270-M272 VanDerWaalsContact C-N 3.27Å; R270-M272 PolarHBondContact O-N 3Å; M272-K274 VanDerWaalsContact C-N 3.28Å; M272-K274 PolarHBondContact O-N 2.91Å
273A96.8Very high96.1Very high37 Ų3766.3 Ų66.331%0.30635%0.354SS..  trans-69.779.3177.800000111.6A261 V263 V268 P269 R270A261-A273 HydrophobicContact CB-CB 3.9Å; V263-A273 HydrophobicContact CG2-CB 4Å; V268-A273 HydrophobicContact CG2-CB 4.01Å; P269-A273 PolarHBondContact O-N 3.38Å; R270-A273 WeakPolarHBondContact O-CB 3.49Å; R270-A273 PolarHBondContact O-N 2.86Å
274K96.4Very high95.8Very high143 Ų14367.6 Ų67.662%0.62237%0.372SS*.  trans-131.6146.7-173.8-66171.5-179.4151.20110.7E271 M272E271-K274 WeakPolarHBondContact O-CE 3.42Å; E271-K274 PolarHBondContact O-NZ 2.83Å; M272-K274 VanDerWaalsContact C-N 3.28Å; M272-K274 PolarHBondContact O-N 2.91Å
275V96.7Very high95.7Very high47 Ų4766.8 Ų66.829%0.28536%0.363SS..  trans-102.2156.8168.3-63.40000110.6V263 D279 V281 V282 T370 I372V263-V275 HydrophobicContact CG1-CG1 4.24Å; V275-D279 HydrophobicContact CB-CB 4.13Å; V275-D279 HydrophobicContact CG2-CB 4.27Å; V275-V281 HydrophobicContact CG2-CG1 3.99Å; V275-V282 HydrophobicContact CG2-CG2 3.68Å; V275-T370 HydrophobicContact CG1-CG2 4.37Å; V275-I372 HydrophobicContact CG1-CD1 3.7Å; V275-I372 HydrophobicContact CG1-CG1 4.45Å
276S96.4Very high95.8Very high46 Ų4661.8 Ų61.832%0.32234%0.336SS..  trans-61.5146.9175.7-177.10000111.4F278 D279S276-F278 PolarHBondContact O-N 2.96Å; S276-F278 VanDerWaalsContact O-N 3.11Å; S276-F278 PolarHBondContact OG-N 2.77Å; S276-F278 VanDerWaalsContact OG-N 3.13Å; S276-D279 WeakPolarHBondContact O-CB 3.5Å; S276-D279 PolarHBondContact O-N 3.37Å
277V96.9Very high95.8Very high103 Ų10356.4 Ų56.462%0.62431%0.312SS*.THydrogen-bonded Turntrans-60.7-17167.2-61.30000112.9Q283V277-Q283 PolarHBondContact O-NE2 2.74Å
278F97.2Very high95.8Very high97 Ų9754.5 Ų54.543%0.42530%0.302SS..THydrogen-bonded Turntrans-87.2-3.5172.3-67.2-77.8000113.7S276 K355S276-F278 PolarHBondContact O-N 2.96Å; S276-F278 VanDerWaalsContact O-N 3.11Å; S276-F278 PolarHBondContact OG-N 2.77Å; S276-F278 VanDerWaalsContact OG-N 3.13Å; F278-K355 WeakPolarHBondContact O-CB 3.42Å; F278-K355 PolarHBondContact O-N 3.22Å
279D97.4Very high95.9Very high1 Ų155.9 Ų55.91%0.00531%0.306CS..BIsolated β-bridgetrans-67.2139.1173.2-163-72.9000111.1V275 S276 V281 V282 T351 G353V275-D279 HydrophobicContact CB-CB 4.13Å; V275-D279 HydrophobicContact CG2-CB 4.27Å; S276-D279 WeakPolarHBondContact O-CB 3.5Å; S276-D279 PolarHBondContact O-N 3.37Å; D279-V281 HydrophobicContact CB-CG1 4.34Å; D279-V281 PolarHBondContact O-N 3.11Å; D279-V281 VanDerWaalsContact OD1-CG1 3.28Å; D279-V281 WeakPolarHBondContact OD1-CG1 3.4Å; D279-V281 PolarHBondContact OD1-N 3.5Å; D279-V282 HydrophobicContact CB-CG2 4.45Å; D279-V282 PolarHBondContact O-N 2.9Å; D279-V282 VanDerWaalsContact O-N 3.08Å; D279-T351 WeakPolarHBondContact OD1-CB 3.41Å; D279-T351 WeakPolarHBondContact OD1-CG2 3.28Å; D279-T351 PolarHBondContact OD1-OG1 3.38Å; D279-T351 PolarHBondContact OD2-OG1 3.3Å; D279-G353 WeakPolarHBondContact OD2-CA 3.48Å
280S96.2Very high95.9Very high0 Ų052.5 Ų52.50%028%0.284CS..Hα-helixtrans-60.1-27.4-178.363.10000113.3V282 G284 G285 D286 R352 G353S280-V282 VanDerWaalsContact C-N 3.32Å; S280-V282 PolarHBondContact O-N 3.04Å; S280-G284 PolarHBondContact O-N 2.96Å; S280-G284 VanDerWaalsContact O-N 3.08Å; S280-G285 PolarHBondContact O-N 3.04Å; S280-D286 PolarHBondContact O-N 2.94Å; S280-D286 PolarHBondContact OG-O 2.96Å; S280-R352 WeakPolarHBondContact OG-CB 3.34Å; S280-R352 PolarHBondContact OG-N 2.85Å; S280-G353 PolarHBondContact N-O 2.97Å; S280-G353 PolarHBondContact OG-N 3Å; S280-G353 PolarHBondContact OG-O 3.43Å
281V97Very high96Very high33 Ų3348.9 Ų48.920%0.227%0.271CS..Hα-helixtrans-66.1-34.5176.577.40000112.2V275 D279 G285 T351V275-V281 HydrophobicContact CG2-CG1 3.99Å; D279-V281 HydrophobicContact CB-CG1 4.34Å; D279-V281 PolarHBondContact O-N 3.11Å; D279-V281 VanDerWaalsContact OD1-CG1 3.28Å; D279-V281 WeakPolarHBondContact OD1-CG1 3.4Å; D279-V281 PolarHBondContact OD1-N 3.5Å; V281-G285 WeakPolarHBondContact O-CA 3.37Å; V281-G285 PolarHBondContact O-N 2.93Å; V281-T351 HydrophobicContact CB-CG2 3.72Å; V281-T351 HydrophobicContact CG1-CG2 3.81Å; V281-T351 HydrophobicContact CG2-CG2 4.32Å
282V97Very high96.5Very high82 Ų8242.8 Ų42.850%0.49724%0.242SC..Hα-helixtrans-75.1-38.2-177.4-179.70000111.3V275 D279 S280V275-V282 HydrophobicContact CG2-CG2 3.68Å; D279-V282 HydrophobicContact CB-CG2 4.45Å; D279-V282 PolarHBondContact O-N 2.9Å; D279-V282 VanDerWaalsContact O-N 3.08Å; S280-V282 VanDerWaalsContact C-N 3.32Å; S280-V282 PolarHBondContact O-N 3.04Å
283Q93.1Very high96.7Very high68 Ų6838.1 Ų38.132%0.31822%0.219SC..Hα-helixtrans-85.4-30.2-175.9-66.3178.225.400113.7V277 S358V277-Q283 PolarHBondContact O-NE2 2.74Å; Q283-S358 PolarHBondContact OE1-OG 3.48Å
284G92Very high96.7Very high46 Ų4636.3 Ų36.347%0.47420%0.204SC..Hα-helixtrans-150.812.3-172.500000115.9S280 D286 N411S280-G284 PolarHBondContact O-N 2.96Å; S280-G284 VanDerWaalsContact O-N 3.08Å; G284-D286 PolarHBondContact O-N 3.2Å; G284-N411 PolarHBondContact O-OD1 2.8Å
285G95.5Very high96.6Very high13 Ų1330.4 Ų30.413%0.13418%0.178CC..  trans65.91717900000114.8S280 V281 S287 N411S280-G285 PolarHBondContact O-N 3.04Å; V281-G285 WeakPolarHBondContact O-CA 3.37Å; V281-G285 PolarHBondContact O-N 2.93Å; G285-S287 VanDerWaalsContact C-N 3.32Å; G285-S287 PolarHBondContact O-N 2.91Å; G285-N411 PolarHBondContact O-ND2 3.42Å
286D96.6Very high96.5Very high29 Ų2931.7 Ų31.716%0.15518%0.18CC..  trans-76.581-174.6-177.523.1000111.2S280 G284 F318 R352S280-D286 PolarHBondContact O-N 2.94Å; S280-D286 PolarHBondContact OG-O 2.96Å; G284-D286 PolarHBondContact O-N 3.2Å; D286-F318 WeakPolarHBondContact OD1-CE1 3.47Å; D286-R352 PolarHBondContact O-N 3.19Å; D286-R352 IonicContact OD1-CZ 3.9Å; D286-R352 IonicContact OD1-NE 3.58Å; D286-R352 IonicContact OD1-NH2 3.98Å; D286-R352 PolarHBondContact OD1-NH2 3.16Å; D286-R352 IonicContact OD2-CZ 3.5Å; D286-R352 IonicContact OD2-NE 3.57Å; D286-R352 PolarHBondContact OD2-NE 2.79Å; D286-R352 IonicContact OD2-NH2 3.86Å; D286-R352 PolarHBondContact OD2-NH2 3.34Å
287S98.1Very high96.5Very high1 Ų129.6 Ų29.61%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-155.4149.1-177-179.60000109.9G285 L350 H409 N410G285-S287 VanDerWaalsContact C-N 3.32Å; G285-S287 PolarHBondContact O-N 2.91Å; S287-L350 WeakPolarHBondContact CA-O 3.31Å; S287-L350 PolarHBondContact OG-O 3.29Å; S287-H409 CarbonylContact O-C 3.41Å; S287-H409 WeakPolarHBondContact O-CA 3.37Å; S287-N410 PolarHBondContact O-N 3.22Å
288V98.5Very high96.5Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-107.6160.4166.5-59.70000109.6L309 A313 L316 F318 S349 L350 I407 H408V288-L309 HydrophobicContact CB-CD1 4.33Å; V288-L309 HydrophobicContact CG2-CD1 3.63Å; V288-L309 HydrophobicContact CG2-CG 4.3Å; V288-A313 HydrophobicContact CG2-CB 4.17Å; V288-L316 HydrophobicContact CG1-CD1 3.63Å; V288-L316 HydrophobicContact CG1-CG 4.43Å; V288-F318 HydrophobicContact CG2-CE2 4.42Å; V288-S349 WeakPolarHBondContact O-CA 3.47Å; V288-L350 HydrophobicContact CG2-CB 3.93Å; V288-L350 HydrophobicContact CG2-CD2 4.49Å; V288-L350 PolarHBondContact N-O 2.84Å; V288-L350 PolarHBondContact O-N 3.01Å; V288-I407 HydrophobicContact CG1-CG2 4.36Å; V288-H408 CarbonylContact C-O 3.55Å; V288-H408 VanDerWaalsContact CA-O 3.26Å; V288-H408 WeakPolarHBondContact CA-O 3.49Å
289W98.4Very high96.5Very high41 Ų4122.4 Ų22.416%0.15513%0.125CC..EExtended strand (participates in β ladder)trans-152.4162.9-179.569.3-78.9000112.8R347 L348 H408 H409 L412W289-R347 VanDerWaalsContact CD2-NH1 3.34Å; W289-R347 VanDerWaalsContact CE3-CD 3.42Å; W289-R347 VanDerWaalsContact CE3-NE 3.27Å; W289-R347 VanDerWaalsContact CG-NH2 3.32Å; W289-L348 CarbonylContact C-O 3.49Å; W289-L348 WeakPolarHBondContact CA-O 3.4Å; W289-L348 WeakPolarHBondContact CB-O 3.19Å; W289-H408 AromaticContact CD1-ND1 3.46Å; W289-H408 AromaticContact CD2-CE1 3.24Å; W289-H408 AromaticContact CD2-ND1 3.34Å; W289-H408 VanDerWaalsContact CD2-ND1 3.34Å; W289-H408 AromaticContact CE2-CE1 3.06Å; W289-H408 AromaticContact CE2-ND1 3.18Å; W289-H408 AromaticContact CE3-CE1 3.46Å; W289-H408 VanDerWaalsContact CE3-CE1 3.46Å; W289-H408 AromaticContact CE3-ND1 3.98Å; W289-H408 AromaticContact CG-CE1 4Å; W289-H408 AromaticContact CG-ND1 3.59Å; W289-H408 AromaticContact CH2-CE1 3.39Å; W289-H408 WeakPolarHBondContact CH2-CE1 3.49Å; W289-H408 AromaticContact CZ2-CE1 3.17Å; W289-H408 WeakPolarHBondContact CZ2-CE1 3.3Å; W289-H408 AromaticContact CZ2-ND1 3.75Å; W289-H408 AromaticContact CZ3-CE1 3.53Å; W289-H408 PolarHBondContact N-O 3.06Å; W289-H408 AromaticContact NE1-CE1 3.62Å; W289-H408 AromaticContact NE1-ND1 3.22Å; W289-H408 PolarHBondContact NE1-ND1 2.94Å; W289-H408 PolarHBondContact O-CE1 3.01Å; W289-H408 PolarHBondContact O-ND1 3.22Å; W289-H409 PolarHBondContact NE1-O 3.23Å; W289-L412 HydrophobicContact CZ2-CD1 4.26Å
290E98.3Very high96.5Very high0 Ų022.6 Ų22.60%013%0.126CC..EExtended strand (participates in β ladder)trans-134.2151.6172.9-73.4-62.2145.200110.4L292 H305 R308 L309 L348 H408E290-L292 HydrophobicContact CB-CD2 4.24Å; E290-H305 HydrophobicContact CG-CB 4.32Å; E290-H305 WeakPolarHBondContact CG-O 3.39Å; E290-H305 IonicContact OE2-CE1 3.9Å; E290-H305 IonicContact OE2-CG 2.68Å; E290-H305 IonicContact OE2-ND1 3.63Å; E290-H305 PolarHBondContact OE2-ND1 2.68Å; E290-R308 WeakPolarHBondContact OE1-CG 3.47Å; E290-R308 IonicContact OE1-CZ 3.2Å; E290-R308 IonicContact OE1-NE 2.68Å; E290-R308 PolarHBondContact OE1-NE 2.84Å; E290-R308 IonicContact OE1-NH2 3.83Å; E290-R308 IonicContact OE2-CZ 2.69Å; E290-R308 IonicContact OE2-NE 2.88Å; E290-R308 PolarHBondContact OE2-NE 2.78Å; E290-R308 IonicContact OE2-NH2 2.72Å; E290-R308 PolarHBondContact OE2-NH2 3.27Å; E290-L309 HydrophobicContact CG-CB 3.82Å; E290-L309 HydrophobicContact CG-CD1 3.96Å; E290-L309 HydrophobicContact CG-CG 4.44Å; E290-L348 HydrophobicContact CB-CB 4.23Å; E290-L348 HydrophobicContact CB-CD2 4.32Å; E290-L348 PolarHBondContact N-O 3.02Å; E290-L348 PolarHBondContact O-N 2.96Å; E290-H408 IonicContact OE1-CD2 2.79Å
291G97.2Very high96.6Very high3 Ų324.7 Ų24.73%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-110105.5172.800000109.6H305 I346 T504G291-H305 PolarHBondContact O-CE1 3.41Å; G291-I346 WeakPolarHBondContact CA-O 3.17Å; G291-T504 VanDerWaalsContact O-CG2 3.23Å; G291-T504 WeakPolarHBondContact O-CG2 3.29Å; G291-T504 PolarHBondContact O-OG1 3.44Å; G291-T504 VanDerWaalsContact O-OG1 3.05Å
292L98Very high96.7Very high0 Ų023.2 Ų23.20%013%0.126CC..EExtended strand (participates in β ladder)trans-98.8153.6179.9-44.3175.6000110.8E290 V299 L302 H305 I331 H345 I346 L348E290-L292 HydrophobicContact CB-CD2 4.24Å; L292-V299 HydrophobicContact CB-CG1 4.13Å; L292-V299 HydrophobicContact CD1-CG1 4.3Å; L292-L302 HydrophobicContact CD1-CD1 4.04Å; L292-L302 HydrophobicContact CD2-CD1 4.4Å; L292-H305 HydrophobicContact CD2-CB 3.39Å; L292-I331 HydrophobicContact CD1-CD1 3.73Å; L292-I331 HydrophobicContact CD1-CG1 4.34Å; L292-H345 WeakPolarHBondContact O-CA 3.37Å; L292-H345 PolarHBondContact O-ND1 3.06Å; L292-I346 HydrophobicContact CB-CB 4.06Å; L292-I346 HydrophobicContact CD1-CB 4.3Å; L292-I346 HydrophobicContact CD1-CD1 4.26Å; L292-I346 HydrophobicContact CD1-CG2 4.45Å; L292-I346 HydrophobicContact CG-CB 4.39Å; L292-I346 PolarHBondContact N-O 3.43Å; L292-I346 PolarHBondContact O-N 2.88Å; L292-L348 HydrophobicContact CD1-CB 4.4Å; L292-L348 HydrophobicContact CD1-CD2 4.31Å
293R97.1Very high96.7Very high10 Ų1022.1 Ų22.14%0.03812%0.116CC..EExtended strand (participates in β ladder)trans-130.7136.8177.7-166.867.7-179.71693.6110.7Y295 F300 N343 T344 K378 T504R293-Y295 HydrophobicContact CB-CD2 4.37Å; R293-Y295 HydrophobicContact CB-CE2 3.72Å; R293-Y295 HydrophobicContact CG-CD2 3.91Å; R293-Y295 HydrophobicContact CG-CE1 4.12Å; R293-Y295 HydrophobicContact CG-CE2 3.2Å; R293-Y295 WeakPolarHBondContact CG-OH 3.31Å; R293-F300 PolarHBondContact O-N 3.17Å; R293-N343 PolarHBondContact NH2-OD1 3.24Å; R293-T344 WeakPolarHBondContact CD-O 3.4Å; R293-K378 VanDerWaalsContact CZ-O 3.3Å; R293-K378 PolarHBondContact NH1-O 3.2Å; R293-K378 PolarHBondContact NH2-O 2.82Å; R293-T504 HydrophobicContact CB-CG2 3.73Å
294I97Very high97Very high0 Ų022.2 Ų22.20%012%0.116CC..EExtended strand (participates in β ladder)trans-105.6127.8178.5-64.172.1000108.4K298 V299 L335 F341 N343 T344 I346 I546I294-K298 VanDerWaalsContact CA-O 3.3Å; I294-K298 WeakPolarHBondContact CA-O 3.45Å; I294-V299 HydrophobicContact CG1-CG2 4.33Å; I294-L335 HydrophobicContact CD1-CD1 4.26Å; I294-L335 HydrophobicContact CD1-CD2 3.96Å; I294-L335 HydrophobicContact CG1-CD1 3.94Å; I294-L335 HydrophobicContact CG1-CD2 4Å; I294-F341 VanDerWaalsContact CG2-C 3.46Å; I294-F341 VanDerWaalsContact CG2-O 3.26Å; I294-F341 WeakPolarHBondContact CG2-O 3.45Å; I294-N343 PolarHBondContact O-N 3.03Å; I294-T344 HydrophobicContact CD1-CG2 4.05Å; I294-T344 PolarHBondContact N-O 3.34Å; I294-I346 HydrophobicContact CD1-CD1 3.88Å; I294-I346 HydrophobicContact CD1-CG1 3.77Å; I294-I546 HydrophobicContact CG2-CD1 3.93Å
295Y94.8Very high97.3Very high18 Ų1820.2 Ų20.27%0.07110%0.095CC..EExtended strand (participates in β ladder)trans-129.6126173.1-60.4-86.4000109R293 G297 K298 F300 D342 E507 T539R293-Y295 HydrophobicContact CB-CD2 4.37Å; R293-Y295 HydrophobicContact CB-CE2 3.72Å; R293-Y295 HydrophobicContact CG-CD2 3.91Å; R293-Y295 HydrophobicContact CG-CE1 4.12Å; R293-Y295 HydrophobicContact CG-CE2 3.2Å; R293-Y295 WeakPolarHBondContact CG-OH 3.31Å; Y295-G297 VanDerWaalsContact C-N 3.28Å; Y295-G297 PolarHBondContact O-N 2.82Å; Y295-G297 VanDerWaalsContact O-N 3.11Å; Y295-K298 PolarHBondContact N-O 3.23Å; Y295-K298 PolarHBondContact O-N 3.33Å; Y295-F300 HydrophobicContact CD2-CB 3.82Å; Y295-F300 HydrophobicContact CD2-CG 4.41Å; Y295-F300 HydrophobicContact CE2-CB 3.99Å; Y295-F300 HydrophobicContact CE2-CG 4.3Å; Y295-D342 WeakPolarHBondContact CA-OD1 3.44Å; Y295-E507 WeakPolarHBondContact CE1-OE1 3.13Å; Y295-E507 PolarHBondContact OH-OE1 3.01Å; Y295-T539 HydrophobicContact CD2-CG2 4.25Å; Y295-T539 HydrophobicContact CE2-CG2 3.75Å
296K93.4Very high97.4Very high75 Ų7519.7 Ų19.733%0.3269%0.089SC..THydrogen-bonded Turntrans43.351.8172.7-58.6-174.6-174.5176.40113.9K298 D342 D540 Y549K296-K298 VanDerWaalsContact C-N 3.32Å; K296-K298 PolarHBondContact O-N 3.03Å; K296-K298 PolarHBondContact O-NZ 3.2Å; K296-D342 PolarHBondContact N-OD1 2.92Å; K296-D342 VanDerWaalsContact N-OD1 3.13Å; K296-D540 HydrophobicContact CD-CB 4.38Å; K296-D540 VanDerWaalsContact CE-CG 3.44Å; K296-D540 VanDerWaalsContact CE-OD1 3.28Å; K296-D540 WeakPolarHBondContact CE-OD1 3.32Å; K296-D540 WeakPolarHBondContact CE-OD2 3.31Å; K296-D540 IonicContact NZ-OD1 2.61Å; K296-D540 PolarHBondContact NZ-OD1 2.86Å; K296-D540 IonicContact NZ-OD2 3.47Å; K296-D540 PolarHBondContact NZ-OD2 3.49Å; K296-Y549 WeakPolarHBondContact O-CE1 3.31Å
297G95.9Very high97.5Very high1 Ų122 Ų221%0.0110%0.101CC..THydrogen-bonded Turntrans7316177.700000115.8Y295 F341 I546Y295-G297 VanDerWaalsContact C-N 3.28Å; Y295-G297 PolarHBondContact O-N 2.82Å; Y295-G297 VanDerWaalsContact O-N 3.11Å; G297-F341 VanDerWaalsContact CA-O 3.3Å; G297-F341 WeakPolarHBondContact CA-O 3.37Å; G297-F341 PolarHBondContact N-O 2.91Å; G297-I546 WeakPolarHBondContact O-CB 3.33Å; G297-I546 WeakPolarHBondContact O-CG1 3.46Å; G297-I546 PolarHBondContact O-N 2.96Å
298K97.5Very high97.5Very high49 Ų4923.4 Ų23.421%0.21311%0.106CC..EExtended strand (participates in β ladder)trans-126.9141.2-178.9-55.8178.9-164.972.50110.8I294 Y295 K296 V544I294-K298 VanDerWaalsContact CA-O 3.3Å; I294-K298 WeakPolarHBondContact CA-O 3.45Å; Y295-K298 PolarHBondContact N-O 3.23Å; Y295-K298 PolarHBondContact O-N 3.33Å; K296-K298 VanDerWaalsContact C-N 3.32Å; K296-K298 PolarHBondContact O-N 3.03Å; K296-K298 PolarHBondContact O-NZ 3.2Å; K298-V544 CarbonylContact C-O 3.51Å; K298-V544 VanDerWaalsContact CA-O 3.32Å; K298-V544 WeakPolarHBondContact CA-O 3.49Å
299V98Very high97.5Very high0 Ų023.5 Ų23.50%011%0.107CC..EExtended strand (participates in β ladder)trans-88.4109.8171.4-169.10000108.3L292 I294 K301 L302 F332 L335 G543 V544 I546L292-V299 HydrophobicContact CB-CG1 4.13Å; L292-V299 HydrophobicContact CD1-CG1 4.3Å; I294-V299 HydrophobicContact CG1-CG2 4.33Å; V299-K301 PolarHBondContact O-N 2.87Å; V299-L302 HydrophobicContact CB-CB 4.07Å; V299-L302 HydrophobicContact CB-CD2 4.15Å; V299-L302 HydrophobicContact CG1-CB 3.9Å; V299-L302 HydrophobicContact CG1-CD1 4.01Å; V299-L302 HydrophobicContact CG1-CD2 4.33Å; V299-L302 HydrophobicContact CG1-CG 4.3Å; V299-F332 HydrophobicContact CG2-CE1 3.99Å; V299-L335 HydrophobicContact CG2-CD1 4.03Å; V299-G543 CarbonylContact O-C 3.46Å; V299-G543 WeakPolarHBondContact O-CA 3.35Å; V299-V544 PolarHBondContact N-O 3.37Å; V299-V544 PolarHBondContact O-N 3.41Å; V299-I546 HydrophobicContact CG2-CG1 4.25Å
300F97.7Very high97.5Very high6 Ų623.9 Ų23.93%0.02612%0.115CC..THydrogen-bonded Turntrans-68.3132.1-175.9-178.2-110.4000111R293 Y295 L302 T471 Y535 L538 T539 S542R293-F300 PolarHBondContact O-N 3.17Å; Y295-F300 HydrophobicContact CD2-CB 3.82Å; Y295-F300 HydrophobicContact CD2-CG 4.41Å; Y295-F300 HydrophobicContact CE2-CB 3.99Å; Y295-F300 HydrophobicContact CE2-CG 4.3Å; F300-L302 PolarHBondContact O-N 3.34Å; F300-L302 VanDerWaalsContact O-N 3.12Å; F300-T471 HydrophobicContact CZ-CG2 4.16Å; F300-Y535 HydrophobicContact CE1-CE2 4.22Å; F300-Y535 HydrophobicContact CZ-CE2 4.29Å; F300-L538 HydrophobicContact CE2-CD2 4.44Å; F300-L538 HydrophobicContact CE2-CG 4.19Å; F300-L538 HydrophobicContact CZ-CD2 4.3Å; F300-T539 HydrophobicContact CD1-CG2 4.3Å; F300-T539 HydrophobicContact CD2-CG2 4.03Å; F300-T539 HydrophobicContact CE1-CG2 4.11Å; F300-T539 HydrophobicContact CE2-CG2 3.85Å; F300-T539 HydrophobicContact CG-CG2 4.25Å; F300-T539 HydrophobicContact CZ-CG2 3.88Å; F300-S542 WeakPolarHBondContact CD2-OG 3.41Å; F300-S542 VanDerWaalsContact CE2-OG 3.24Å; F300-S542 WeakPolarHBondContact CE2-OG 3.44Å
301K97.4Very high97.5Very high44 Ų4428.9 Ų28.919%0.19114%0.142CC..THydrogen-bonded Turntrans52.532176.8-66.4-71.9-169178.30114.8V299 E303 E304 H305 I467V299-K301 PolarHBondContact O-N 2.87Å; K301-E303 VanDerWaalsContact C-N 3.31Å; K301-E303 PolarHBondContact O-N 3.44Å; K301-E304 VanDerWaalsContact C-OE2 3.23Å; K301-E304 VanDerWaalsContact CA-OE2 3.25Å; K301-E304 WeakPolarHBondContact CA-OE2 3.22Å; K301-E304 HydrophobicContact CD-CG 4.29Å; K301-E304 WeakPolarHBondContact CD-OE1 3.3Å; K301-E304 WeakPolarHBondContact CE-OE1 3.43Å; K301-E304 IonicContact NZ-OE1 2.75Å; K301-E304 PolarHBondContact NZ-OE1 2.97Å; K301-E304 PolarHBondContact O-N 3.38Å; K301-H305 PolarHBondContact O-CD2 3.49Å; K301-H305 PolarHBondContact O-N 3.28Å; K301-I467 HydrophobicContact CB-CG2 3.73Å; K301-I467 HydrophobicContact CD-CG2 4.38Å; K301-I467 HydrophobicContact CG-CG2 3.94Å
302L98.5Very high97.6Very high1 Ų129 Ų291%0.00514%0.142CC..Hα-helixtrans-56.2-43.6-174.9177.156.9000112.5L292 V299 F300 E304 H305 L306 K328 I331 F332 V544L292-L302 HydrophobicContact CD1-CD1 4.04Å; L292-L302 HydrophobicContact CD2-CD1 4.4Å; V299-L302 HydrophobicContact CB-CB 4.07Å; V299-L302 HydrophobicContact CB-CD2 4.15Å; V299-L302 HydrophobicContact CG1-CB 3.9Å; V299-L302 HydrophobicContact CG1-CD1 4.01Å; V299-L302 HydrophobicContact CG1-CD2 4.33Å; V299-L302 HydrophobicContact CG1-CG 4.3Å; F300-L302 PolarHBondContact O-N 3.34Å; F300-L302 VanDerWaalsContact O-N 3.12Å; L302-E304 PolarHBondContact O-N 3.06Å; L302-H305 PolarHBondContact O-N 3Å; L302-L306 HydrophobicContact CD1-CD1 3.97Å; L302-L306 HydrophobicContact CD1-CD2 4.37Å; L302-L306 HydrophobicContact CD1-CG 3.97Å; L302-L306 HydrophobicContact CG-CD1 4.1Å; L302-L306 HydrophobicContact CG-CG 4.44Å; L302-L306 VanDerWaalsContact O-CG 3.31Å; L302-L306 WeakPolarHBondContact O-CG 3.5Å; L302-L306 PolarHBondContact O-N 3.43Å; L302-K328 HydrophobicContact CD2-CG 4.2Å; L302-I331 HydrophobicContact CD1-CD1 3.95Å; L302-F332 HydrophobicContact CD2-CE1 4.22Å; L302-F332 HydrophobicContact CD2-CZ 3.92Å; L302-V544 HydrophobicContact CB-CB 4.22Å; L302-V544 HydrophobicContact CB-CG2 3.82Å; L302-V544 HydrophobicContact CD2-CB 3.9Å; L302-V544 HydrophobicContact CD2-CG1 4.2Å; L302-V544 HydrophobicContact CD2-CG2 4.07Å; L302-V544 HydrophobicContact CG-CG2 4.4Å
303E98.3Very high97.6Very high60 Ų6029 Ų2928%0.2814%0.143SC..Hα-helixtrans-64.6-42-177-59.2-61.3168.100111.8K301 H305 L306 D307 R324 K328 V544K301-E303 VanDerWaalsContact C-N 3.31Å; K301-E303 PolarHBondContact O-N 3.44Å; E303-H305 VanDerWaalsContact C-N 3.34Å; E303-L306 PolarHBondContact O-N 3.03Å; E303-D307 PolarHBondContact O-N 2.88Å; E303-R324 PolarHBondContact O-NH1 3.02Å; E303-R324 VanDerWaalsContact O-NH1 3.13Å; E303-R324 WeakPolarHBondContact OE2-CD 3.16Å; E303-R324 IonicContact OE2-CZ 2.7Å; E303-R324 IonicContact OE2-NE 2.75Å; E303-R324 IonicContact OE2-NH1 3.27Å; E303-R324 PolarHBondContact OE2-NH1 2.93Å; E303-K328 WeakPolarHBondContact OE1-CE 3.36Å; E303-K328 IonicContact OE1-NZ 2.99Å; E303-K328 PolarHBondContact OE1-NZ 2.85Å; E303-K328 WeakPolarHBondContact OE2-CE 3.49Å; E303-K328 IonicContact OE2-NZ 3.26Å; E303-K328 PolarHBondContact OE2-NZ 2.92Å; E303-V544 HydrophobicContact CG-CG2 4.35Å
304E98.4Very high97.6Very high70 Ų7036.4 Ų36.433%0.32718%0.175SC..Hα-helixtrans-66.3-37177.3-61.994.3144.500111.9K301 L302 L306 D307 R308 I467K301-E304 VanDerWaalsContact C-OE2 3.23Å; K301-E304 VanDerWaalsContact CA-OE2 3.25Å; K301-E304 WeakPolarHBondContact CA-OE2 3.22Å; K301-E304 HydrophobicContact CD-CG 4.29Å; K301-E304 WeakPolarHBondContact CD-OE1 3.3Å; K301-E304 WeakPolarHBondContact CE-OE1 3.43Å; K301-E304 IonicContact NZ-OE1 2.75Å; K301-E304 PolarHBondContact NZ-OE1 2.97Å; K301-E304 PolarHBondContact O-N 3.38Å; L302-E304 PolarHBondContact O-N 3.06Å; E304-L306 VanDerWaalsContact C-N 3.35Å; E304-D307 PolarHBondContact O-N 3.4Å; E304-R308 PolarHBondContact O-N 3.13Å; E304-R308 VanDerWaalsContact O-N 3.15Å; E304-I467 HydrophobicContact CB-CD1 4.15Å; E304-I467 HydrophobicContact CB-CG1 4.35Å; E304-I467 HydrophobicContact CB-CG2 4.34Å
305H98.6Very high97.7Very high4 Ų439.6 Ų39.62%0.01920%0.201CC..Hα-helixtrans-63.3-41.6172.4-79.4-70.6000111.6E290 G291 L292 K301 L302 E303 R308 L309 I467E290-H305 HydrophobicContact CG-CB 4.32Å; E290-H305 WeakPolarHBondContact CG-O 3.39Å; E290-H305 IonicContact OE2-CE1 3.9Å; E290-H305 IonicContact OE2-CG 2.68Å; E290-H305 IonicContact OE2-ND1 3.63Å; E290-H305 PolarHBondContact OE2-ND1 2.68Å; G291-H305 PolarHBondContact O-CE1 3.41Å; L292-H305 HydrophobicContact CD2-CB 3.39Å; K301-H305 PolarHBondContact O-CD2 3.49Å; K301-H305 PolarHBondContact O-N 3.28Å; L302-H305 PolarHBondContact O-N 3Å; E303-H305 VanDerWaalsContact C-N 3.34Å; H305-R308 PolarHBondContact O-N 3.01Å; H305-L309 WeakPolarHBondContact O-CB 3.39Å; H305-L309 PolarHBondContact O-N 2.82Å; H305-I467 HydrophobicContact CB-CD1 4.16Å; H305-I467 VanDerWaalsContact ND1-CD1 3.27Å; H305-I467 WeakPolarHBondContact ND1-CD1 3.38Å
306L98.7Very high97.8Very high2 Ų240.5 Ų40.51%0.0121%0.207CC..Hα-helixtrans-71.5-31.1178.8-64.4-179.4000112.9L302 E303 E304 L309 S310 R324 I327 K328 L348L302-L306 HydrophobicContact CD1-CD1 3.97Å; L302-L306 HydrophobicContact CD1-CD2 4.37Å; L302-L306 HydrophobicContact CD1-CG 3.97Å; L302-L306 HydrophobicContact CG-CD1 4.1Å; L302-L306 HydrophobicContact CG-CG 4.44Å; L302-L306 VanDerWaalsContact O-CG 3.31Å; L302-L306 WeakPolarHBondContact O-CG 3.5Å; L302-L306 PolarHBondContact O-N 3.43Å; E303-L306 PolarHBondContact O-N 3.03Å; E304-L306 VanDerWaalsContact C-N 3.35Å; L306-L309 HydrophobicContact CD2-CD2 4.32Å; L306-S310 WeakPolarHBondContact O-CB 3.4Å; L306-S310 PolarHBondContact O-N 3.18Å; L306-S310 PolarHBondContact O-OG 3.42Å; L306-R324 HydrophobicContact CD1-CG 3.78Å; L306-I327 HydrophobicContact CD2-CB 4.37Å; L306-I327 HydrophobicContact CD2-CG2 3.57Å; L306-K328 HydrophobicContact CD1-CD 4.45Å; L306-K328 HydrophobicContact CD1-CG 3.76Å; L306-L348 HydrophobicContact CD2-CD2 4.06Å
307D98.4Very high97.9Very high78 Ų7840 Ų4042%0.41722%0.217SC..Hα-helixtrans-58.7-53.2169-71.1-31.5000110.4E303 E304 L309 S310 D311 R324E303-D307 PolarHBondContact O-N 2.88Å; E304-D307 PolarHBondContact O-N 3.4Å; D307-L309 PolarHBondContact O-N 3.28Å; D307-S310 WeakPolarHBondContact O-CB 3.26Å; D307-S310 PolarHBondContact O-N 2.75Å; D307-S310 VanDerWaalsContact O-N 3.11Å; D307-D311 PolarHBondContact O-N 3.13Å; D307-R324 IonicContact OD1-CZ 3.56Å; D307-R324 IonicContact OD1-NH1 3.59Å; D307-R324 IonicContact OD1-NH2 3.37Å; D307-R324 PolarHBondContact OD1-NH2 2.9Å
308R98.2Very high98Very high30 Ų3040.7 Ų40.711%0.11322%0.22CC..Hα-helixtrans-65.2-37.4-178.2-172.5171.267.5173.35.8113.4E290 E304 H305 S310 D311 S312 H408 P465E290-R308 WeakPolarHBondContact OE1-CG 3.47Å; E290-R308 IonicContact OE1-CZ 3.2Å; E290-R308 IonicContact OE1-NE 2.68Å; E290-R308 PolarHBondContact OE1-NE 2.84Å; E290-R308 IonicContact OE1-NH2 3.83Å; E290-R308 IonicContact OE2-CZ 2.69Å; E290-R308 IonicContact OE2-NE 2.88Å; E290-R308 PolarHBondContact OE2-NE 2.78Å; E290-R308 IonicContact OE2-NH2 2.72Å; E290-R308 PolarHBondContact OE2-NH2 3.27Å; E304-R308 PolarHBondContact O-N 3.13Å; E304-R308 VanDerWaalsContact O-N 3.15Å; H305-R308 PolarHBondContact O-N 3.01Å; R308-S310 VanDerWaalsContact C-N 3.31Å; R308-D311 PolarHBondContact O-N 3.02Å; R308-S312 WeakPolarHBondContact O-CB 3.42Å; R308-S312 PolarHBondContact O-N 3.12Å; R308-S312 PolarHBondContact O-OG 2.83Å; R308-H408 PolarHBondContact NH2-CD2 3.21Å; R308-H408 PolarHBondContact NH2-NE2 2.93Å; R308-P465 PolarHBondContact NH1-O 2.97Å
309L98.6Very high97.8Very high2 Ų244.2 Ų44.21%0.0124%0.241CC..Hα-helixtrans-59-46.1172.4-173.276.3000110.5V288 E290 H305 L306 D307 S312 A313 I327 L348 L350V288-L309 HydrophobicContact CB-CD1 4.33Å; V288-L309 HydrophobicContact CG2-CD1 3.63Å; V288-L309 HydrophobicContact CG2-CG 4.3Å; E290-L309 HydrophobicContact CG-CB 3.82Å; E290-L309 HydrophobicContact CG-CD1 3.96Å; E290-L309 HydrophobicContact CG-CG 4.44Å; H305-L309 WeakPolarHBondContact O-CB 3.39Å; H305-L309 PolarHBondContact O-N 2.82Å; L306-L309 HydrophobicContact CD2-CD2 4.32Å; D307-L309 PolarHBondContact O-N 3.28Å; L309-S312 PolarHBondContact O-N 3.28Å; L309-A313 WeakPolarHBondContact O-CB 3.3Å; L309-A313 PolarHBondContact O-N 3.06Å; L309-I327 HydrophobicContact CD2-CD1 4Å; L309-L348 HydrophobicContact CD2-CD2 3.9Å; L309-L350 HydrophobicContact CD1-CB 4.42Å
310S98.3Very high97.5Very high48 Ų4850.4 Ų50.434%0.33628%0.275SS..Hα-helixtrans-65.7-43.7-179.8-58.10000111.7L306 D307 R308 A313 K314L306-S310 WeakPolarHBondContact O-CB 3.4Å; L306-S310 PolarHBondContact O-N 3.18Å; L306-S310 PolarHBondContact O-OG 3.42Å; D307-S310 WeakPolarHBondContact O-CB 3.26Å; D307-S310 PolarHBondContact O-N 2.75Å; D307-S310 VanDerWaalsContact O-N 3.11Å; R308-S310 VanDerWaalsContact C-N 3.31Å; S310-A313 PolarHBondContact O-N 3.33Å; S310-K314 VanDerWaalsContact O-CB 3.26Å; S310-K314 WeakPolarHBondContact O-CB 3.06Å; S310-K314 PolarHBondContact O-N 2.82Å
311D98.2Very high97.4Very high106 Ų10652.6 Ų52.657%0.56729%0.288SS*.Hα-helixtrans-63.6-42.5176.7-76.2-19.8000111.9D307 R308 K314 A315D307-D311 PolarHBondContact O-N 3.13Å; R308-D311 PolarHBondContact O-N 3.02Å; D311-K314 PolarHBondContact O-N 3.35Å; D311-A315 WeakPolarHBondContact O-CB 3.39Å; D311-A315 PolarHBondContact O-N 3.04Å
312S98.5Very high97.4Very high4 Ų452.1 Ų52.13%0.02829%0.289CS..Hα-helixtrans-64.6-44.5176.6-60.70000111.2R308 L309 K314 A315 L316 H408R308-S312 WeakPolarHBondContact O-CB 3.42Å; R308-S312 PolarHBondContact O-N 3.12Å; R308-S312 PolarHBondContact O-OG 2.83Å; L309-S312 PolarHBondContact O-N 3.28Å; S312-K314 VanDerWaalsContact C-N 3.31Å; S312-K314 PolarHBondContact O-N 3.05Å; S312-A315 PolarHBondContact O-N 3.01Å; S312-L316 PolarHBondContact O-N 2.81Å; S312-H408 PolarHBondContact OG-N 3.33Å
313A98.1Very high97.4Very high1 Ų155.8 Ų55.81%0.00831%0.312CS..Hα-helixtrans-62.7-40176.700000111.4V288 L309 S310 L316 A317 F318 V321 L350V288-A313 HydrophobicContact CG2-CB 4.17Å; L309-A313 WeakPolarHBondContact O-CB 3.3Å; L309-A313 PolarHBondContact O-N 3.06Å; S310-A313 PolarHBondContact O-N 3.33Å; A313-L316 CarbonylContact O-C 3.5Å; A313-L316 PolarHBondContact O-N 2.87Å; A313-A317 PolarHBondContact O-N 3.16Å; A313-A317 VanDerWaalsContact O-N 3.15Å; A313-F318 HydrophobicContact CB-CB 4.13Å; A313-F318 HydrophobicContact CB-CD2 4.02Å; A313-F318 HydrophobicContact CB-CG 4.14Å; A313-F318 WeakPolarHBondContact O-CB 3.4Å; A313-F318 PolarHBondContact O-N 3.23Å; A313-V321 HydrophobicContact CB-CG2 4.1Å; A313-L350 HydrophobicContact CB-CD2 4.33Å
314K97.9Very high97.4Very high165 Ų16556.4 Ų56.472%0.71731%0.312SS*.Hα-helixtrans-65.7-42.6175.6-175.1179-179.9-178.10112.1S310 D311 S312 L316 A317S310-K314 VanDerWaalsContact O-CB 3.26Å; S310-K314 WeakPolarHBondContact O-CB 3.06Å; S310-K314 PolarHBondContact O-N 2.82Å; D311-K314 PolarHBondContact O-N 3.35Å; S312-K314 VanDerWaalsContact C-N 3.31Å; S312-K314 PolarHBondContact O-N 3.05Å; K314-L316 VanDerWaalsContact C-N 3.25Å; K314-L316 PolarHBondContact O-N 3.31Å; K314-A317 WeakPolarHBondContact O-CA 3.42Å; K314-A317 PolarHBondContact O-N 2.76Å
315A97.5Very high97.4Very high67 Ų6758.7 Ų58.755%0.55432%0.322SS*.Hα-helixtrans-60.9-36.1175.600000111.9D311 S312 A317 I407D311-A315 WeakPolarHBondContact O-CB 3.39Å; D311-A315 PolarHBondContact O-N 3.04Å; S312-A315 PolarHBondContact O-N 3.01Å; A315-A317 PolarHBondContact O-N 3.48Å; A315-I407 HydrophobicContact CB-CD1 3.93Å; A315-I407 HydrophobicContact CB-CG1 3.96Å
316L97Very high97.4Very high37 Ų3763.8 Ų63.819%0.19435%0.346CS..THydrogen-bonded Turntrans-836.4172.5-62.5-175.2000113.6V288 S312 A313 K314 F318 R352 I407V288-L316 HydrophobicContact CG1-CD1 3.63Å; V288-L316 HydrophobicContact CG1-CG 4.43Å; S312-L316 PolarHBondContact O-N 2.81Å; A313-L316 CarbonylContact O-C 3.5Å; A313-L316 PolarHBondContact O-N 2.87Å; K314-L316 VanDerWaalsContact C-N 3.25Å; K314-L316 PolarHBondContact O-N 3.31Å; L316-F318 VanDerWaalsContact C-N 3.31Å; L316-F318 HydrophobicContact CB-CD1 3.69Å; L316-F318 HydrophobicContact CB-CE1 3.59Å; L316-F318 HydrophobicContact CD1-CE1 3.88Å; L316-F318 HydrophobicContact CD1-CZ 4.3Å; L316-F318 HydrophobicContact CG-CE1 4.41Å; L316-F318 PolarHBondContact O-N 3.15Å; L316-R352 PolarHBondContact O-NH1 3.36Å; L316-R352 PolarHBondContact O-NH2 3.19Å; L316-I407 HydrophobicContact CD1-CG2 4.13Å; L316-I407 HydrophobicContact CD2-CD1 3.96Å; L316-I407 HydrophobicContact CD2-CG2 4.2Å; L316-I407 HydrophobicContact CG-CG2 3.93Å
317A96.5Very high97.4Very high65 Ų6563.9 Ų63.954%0.53735%0.347SS..THydrogen-bonded Turntrans52.843.7-178.900000113.5A313 K314 A315 R352A313-A317 PolarHBondContact O-N 3.16Å; A313-A317 VanDerWaalsContact O-N 3.15Å; K314-A317 WeakPolarHBondContact O-CA 3.42Å; K314-A317 PolarHBondContact O-N 2.76Å; A315-A317 PolarHBondContact O-N 3.48Å; A317-R352 PolarHBondContact O-NH1 3.12Å
318F97.6Very high97.4Very high15 Ų1561.1 Ų61.17%0.06633%0.331CS..  trans-65.5137.8172.3-78.826.1000109.7D286 V288 A313 L316 V321 L350 T351 R352D286-F318 WeakPolarHBondContact OD1-CE1 3.47Å; V288-F318 HydrophobicContact CG2-CE2 4.42Å; A313-F318 HydrophobicContact CB-CB 4.13Å; A313-F318 HydrophobicContact CB-CD2 4.02Å; A313-F318 HydrophobicContact CB-CG 4.14Å; A313-F318 WeakPolarHBondContact O-CB 3.4Å; A313-F318 PolarHBondContact O-N 3.23Å; L316-F318 VanDerWaalsContact C-N 3.31Å; L316-F318 HydrophobicContact CB-CD1 3.69Å; L316-F318 HydrophobicContact CB-CE1 3.59Å; L316-F318 HydrophobicContact CD1-CE1 3.88Å; L316-F318 HydrophobicContact CD1-CZ 4.3Å; L316-F318 HydrophobicContact CG-CE1 4.41Å; L316-F318 PolarHBondContact O-N 3.15Å; F318-V321 HydrophobicContact CB-CG2 3.58Å; F318-L350 HydrophobicContact CD2-CD2 4.1Å; F318-L350 HydrophobicContact CD2-CG 4.37Å; F318-L350 HydrophobicContact CE2-CD2 4.42Å; F318-L350 HydrophobicContact CE2-CG 4.29Å; F318-L350 WeakPolarHBondContact CE2-O 3.27Å; F318-T351 VanDerWaalsContact CE2-C 3.44Å; F318-R352 HydrophobicContact CD1-CB 4.23Å; F318-R352 HydrophobicContact CD1-CG 4.16Å; F318-R352 VanDerWaalsContact CD1-CZ 3.47Å; F318-R352 HydrophobicContact CE1-CB 3.83Å; F318-R352 HydrophobicContact CE1-CG 4.24Å; F318-R352 VanDerWaalsContact CE1-NH2 3.32Å; F318-R352 HydrophobicContact CE2-CB 4.2Å; F318-R352 VanDerWaalsContact CE2-N 3.33Å; F318-R352 HydrophobicContact CG-CG 4.47Å; F318-R352 HydrophobicContact CZ-CB 3.81Å
319N92.8Very high97.4Very high124 Ų12464.6 Ų64.666%0.66335%0.348SS*.SBendtrans-104.2152.7172.5-66.2-45.7000109.2V321 C369N319-V321 VanDerWaalsContact C-N 3.29Å; N319-V321 PolarHBondContact O-N 2.61Å; N319-C369 PolarHBondContact O-SG 2.85Å; N319-C369 VanDerWaalsContact O-SG 3.38Å
320N91.7Very high97.4Very high130 Ų13064.5 Ų64.570%0.69535%0.348SS*.SBendtrans53.546.3178.9-53.2-29.6000112.3
321V97.1Very high97.4Very high52 Ų5262.2 Ų62.232%0.31533%0.332SS..PPolyproline II helixtrans-67.1129.6172.2177.10000108A313 F318 N319 L350A313-V321 HydrophobicContact CB-CG2 4.1Å; F318-V321 HydrophobicContact CB-CG2 3.58Å; N319-V321 VanDerWaalsContact C-N 3.29Å; N319-V321 PolarHBondContact O-N 2.61Å; V321-L350 HydrophobicContact CG1-CD2 3.88Å
322P97.4Very high97.4Very high33 Ų3358 Ų5821%0.21431%0.309CS..PPolyproline II helixtrans-55.6146.5174.9-24.333.7000111.5E326 I327 L350P322-E326 HydrophobicContact CB-CB 4.32Å; P322-I327 HydrophobicContact CB-CD1 4.41Å; P322-I327 HydrophobicContact CB-CG1 4Å; P322-L350 HydrophobicContact CG-CD1 4.17Å
323T97.9Very high97.4Very high78 Ų7863.1 Ų63.148%0.47933%0.327SS..PPolyproline II helixtrans-65.1157.8176.865.50000111.1E325 E326 I327T323-E325 PolarHBondContact O-N 2.66Å; T323-E326 WeakPolarHBondContact CB-OE2 3.11Å; T323-E326 WeakPolarHBondContact CG2-OE2 3.47Å; T323-E326 PolarHBondContact N-OE2 3.03Å; T323-E326 PolarHBondContact O-N 3.02Å; T323-E326 VanDerWaalsContact O-N 3.17Å; T323-E326 VanDerWaalsContact OG1-CD 3.26Å; T323-E326 VanDerWaalsContact OG1-CG 3.25Å; T323-E326 WeakPolarHBondContact OG1-CG 3.09Å; T323-E326 PolarHBondContact OG1-N 3.32Å; T323-E326 PolarHBondContact OG1-OE2 3.32Å; T323-I327 WeakPolarHBondContact O-CG1 3.5Å; T323-I327 PolarHBondContact O-N 3.38Å
324R98.2Very high97.5Very high74 Ų7463 Ų6328%0.27933%0.327SS..Hα-helixtrans-51.7-43.6176.2179.9175.4-64.3-115.8-6.3112.3E303 L306 D307 I327 K328E303-R324 PolarHBondContact O-NH1 3.02Å; E303-R324 VanDerWaalsContact O-NH1 3.13Å; E303-R324 WeakPolarHBondContact OE2-CD 3.16Å; E303-R324 IonicContact OE2-CZ 2.7Å; E303-R324 IonicContact OE2-NE 2.75Å; E303-R324 IonicContact OE2-NH1 3.27Å; E303-R324 PolarHBondContact OE2-NH1 2.93Å; L306-R324 HydrophobicContact CD1-CG 3.78Å; D307-R324 IonicContact OD1-CZ 3.56Å; D307-R324 IonicContact OD1-NH1 3.59Å; D307-R324 IonicContact OD1-NH2 3.37Å; D307-R324 PolarHBondContact OD1-NH2 2.9Å; R324-I327 PolarHBondContact O-N 3.04Å; R324-K328 HydrophobicContact CG-CD 4.33Å; R324-K328 WeakPolarHBondContact O-CG 3.48Å; R324-K328 PolarHBondContact O-N 3.09Å
325E98.2Very high97.5Very high117 Ų11755.2 Ų55.255%0.54729%0.293SS..Hα-helixtrans-71.5-36-177.4-60.5-51.9126.300112T323 I327 K328 E329T323-E325 PolarHBondContact O-N 2.66Å; E325-I327 VanDerWaalsContact C-N 3.34Å; E325-I327 PolarHBondContact O-N 3.46Å; E325-K328 PolarHBondContact O-N 3.28Å; E325-K328 IonicContact OE1-NZ 2.9Å; E325-K328 PolarHBondContact OE1-NZ 3.26Å; E325-E329 WeakPolarHBondContact O-CB 3.39Å; E325-E329 PolarHBondContact O-N 3.27Å
326E98.1Very high97.5Very high112 Ų11254.6 Ų54.652%0.52328%0.28SS..Hα-helixtrans-63.1-40.2172.1-72164.5140.700111.9P322 T323 E329 A330P322-E326 HydrophobicContact CB-CB 4.32Å; T323-E326 WeakPolarHBondContact CB-OE2 3.11Å; T323-E326 WeakPolarHBondContact CG2-OE2 3.47Å; T323-E326 PolarHBondContact N-OE2 3.03Å; T323-E326 PolarHBondContact O-N 3.02Å; T323-E326 VanDerWaalsContact O-N 3.17Å; T323-E326 VanDerWaalsContact OG1-CD 3.26Å; T323-E326 VanDerWaalsContact OG1-CG 3.25Å; T323-E326 WeakPolarHBondContact OG1-CG 3.09Å; T323-E326 PolarHBondContact OG1-N 3.32Å; T323-E326 PolarHBondContact OG1-OE2 3.32Å; E326-E329 PolarHBondContact O-N 2.98Å; E326-A330 PolarHBondContact O-N 3.27Å
327I98.6Very high97.6Very high3 Ų356.4 Ų56.42%0.01529%0.293CS..Hα-helixtrans-67-43.1177.1-62.5169.6000110.8L306 L309 P322 T323 R324 E325 A330 I331 L348 L371L306-I327 HydrophobicContact CD2-CB 4.37Å; L306-I327 HydrophobicContact CD2-CG2 3.57Å; L309-I327 HydrophobicContact CD2-CD1 4Å; P322-I327 HydrophobicContact CB-CD1 4.41Å; P322-I327 HydrophobicContact CB-CG1 4Å; T323-I327 WeakPolarHBondContact O-CG1 3.5Å; T323-I327 PolarHBondContact O-N 3.38Å; R324-I327 PolarHBondContact O-N 3.04Å; E325-I327 VanDerWaalsContact C-N 3.34Å; E325-I327 PolarHBondContact O-N 3.46Å; I327-A330 PolarHBondContact O-N 3.31Å; I327-I331 HydrophobicContact CG2-CD1 3.86Å; I327-I331 WeakPolarHBondContact O-CD1 3.48Å; I327-I331 VanDerWaalsContact O-CG1 3.28Å; I327-I331 WeakPolarHBondContact O-CG1 3.17Å; I327-I331 PolarHBondContact O-N 2.92Å; I327-L348 HydrophobicContact CG2-CD1 4.29Å; I327-L348 HydrophobicContact CG2-CD2 4.01Å; I327-L371 HydrophobicContact CG1-CD1 4.38Å; I327-L371 HydrophobicContact CG1-CD2 4.23Å; I327-L371 HydrophobicContact CG2-CD1 4.44Å
328K98.6Very high97.6Very high20 Ų2054.3 Ų54.39%0.08727%0.272CS..Hα-helixtrans-60.9-44.9175.5-74.8176.7-178.3169.30111.7L302 E303 L306 R324 E325 A330 I331 F332L302-K328 HydrophobicContact CD2-CG 4.2Å; E303-K328 WeakPolarHBondContact OE1-CE 3.36Å; E303-K328 IonicContact OE1-NZ 2.99Å; E303-K328 PolarHBondContact OE1-NZ 2.85Å; E303-K328 WeakPolarHBondContact OE2-CE 3.49Å; E303-K328 IonicContact OE2-NZ 3.26Å; E303-K328 PolarHBondContact OE2-NZ 2.92Å; L306-K328 HydrophobicContact CD1-CD 4.45Å; L306-K328 HydrophobicContact CD1-CG 3.76Å; R324-K328 HydrophobicContact CG-CD 4.33Å; R324-K328 WeakPolarHBondContact O-CG 3.48Å; R324-K328 PolarHBondContact O-N 3.09Å; E325-K328 PolarHBondContact O-N 3.28Å; E325-K328 IonicContact OE1-NZ 2.9Å; E325-K328 PolarHBondContact OE1-NZ 3.26Å; K328-A330 VanDerWaalsContact C-N 3.35Å; K328-A330 PolarHBondContact O-N 3.48Å; K328-I331 WeakPolarHBondContact O-CB 3.4Å; K328-I331 PolarHBondContact O-N 3.06Å; K328-F332 HydrophobicContact CB-CD2 4.33Å; K328-F332 HydrophobicContact CB-CE2 3.94Å; K328-F332 WeakPolarHBondContact O-CD2 3.22Å; K328-F332 VanDerWaalsContact O-CG 3.31Å; K328-F332 WeakPolarHBondContact O-CG 3.38Å; K328-F332 PolarHBondContact O-N 3.06Å
329E98.3Very high97.6Very high103 Ų10355.5 Ų55.548%0.48129%0.288SS..Hα-helixtrans-59.8-46177.9-178.759.8-163.600111.1E325 E326 I331 F332 R333E325-E329 WeakPolarHBondContact O-CB 3.39Å; E325-E329 PolarHBondContact O-N 3.27Å; E326-E329 PolarHBondContact O-N 2.98Å; E329-I331 PolarHBondContact O-N 3.48Å; E329-F332 PolarHBondContact O-N 2.71Å; E329-R333 HydrophobicContact CG-CG 4.29Å; E329-R333 WeakPolarHBondContact O-CB 3.33Å; E329-R333 VanDerWaalsContact O-CG 3.29Å; E329-R333 WeakPolarHBondContact O-CG 3.39Å; E329-R333 PolarHBondContact O-N 3.35Å; E329-R333 WeakPolarHBondContact OE1-CD 3.3Å; E329-R333 WeakPolarHBondContact OE1-CG 3.4Å
330A98.7Very high97.8Very high0 Ų049.6 Ų49.60%026%0.257CS..Hα-helixtrans-58.3-46.717500000111.9W262 E326 I327 K328 T334 L371 V373W262-A330 HydrophobicContact CD2-CB 3.65Å; W262-A330 HydrophobicContact CE3-CB 3.81Å; W262-A330 HydrophobicContact CG-CB 4.21Å; W262-A330 HydrophobicContact CH2-CB 4.04Å; W262-A330 HydrophobicContact CZ2-CB 3.88Å; W262-A330 HydrophobicContact CZ3-CB 4Å; E326-A330 PolarHBondContact O-N 3.27Å; I327-A330 PolarHBondContact O-N 3.31Å; K328-A330 VanDerWaalsContact C-N 3.35Å; K328-A330 PolarHBondContact O-N 3.48Å; A330-T334 WeakPolarHBondContact O-CB 3.4Å; A330-T334 PolarHBondContact O-N 2.86Å; A330-T334 PolarHBondContact O-OG1 3.15Å; A330-L371 HydrophobicContact CB-CD2 3.63Å; A330-V373 HydrophobicContact CB-CG2 4.08Å
331I98.8Very high98Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-58.1-51.1176.9-70.6162.9000111.2L292 L302 I327 K328 E329 T334 L335 I346 L348 V373L292-I331 HydrophobicContact CD1-CD1 3.73Å; L292-I331 HydrophobicContact CD1-CG1 4.34Å; L302-I331 HydrophobicContact CD1-CD1 3.95Å; I327-I331 HydrophobicContact CG2-CD1 3.86Å; I327-I331 WeakPolarHBondContact O-CD1 3.48Å; I327-I331 VanDerWaalsContact O-CG1 3.28Å; I327-I331 WeakPolarHBondContact O-CG1 3.17Å; I327-I331 PolarHBondContact O-N 2.92Å; K328-I331 WeakPolarHBondContact O-CB 3.4Å; K328-I331 PolarHBondContact O-N 3.06Å; E329-I331 PolarHBondContact O-N 3.48Å; I331-T334 PolarHBondContact O-N 2.85Å; I331-L335 HydrophobicContact CG2-CD1 3.91Å; I331-L335 WeakPolarHBondContact O-CG 3.36Å; I331-L335 PolarHBondContact O-N 3.25Å; I331-I346 HydrophobicContact CG2-CD1 3.76Å; I331-L348 HydrophobicContact CD1-CD1 4.22Å; I331-L348 HydrophobicContact CD1-CD2 4.08Å; I331-L348 HydrophobicContact CG1-CD1 4.1Å; I331-V373 HydrophobicContact CG1-CG1 4.31Å; I331-V373 HydrophobicContact CG1-CG2 4.35Å
332F98.6Very high97.8Very high19 Ų1947.1 Ų47.18%0.08324%0.239CC..Hα-helixtrans-68-44.1-176.3-63.6-36.9000112V299 L302 K328 E329 T334 L335 I336 V544 I546 P547V299-F332 HydrophobicContact CG2-CE1 3.99Å; L302-F332 HydrophobicContact CD2-CE1 4.22Å; L302-F332 HydrophobicContact CD2-CZ 3.92Å; K328-F332 HydrophobicContact CB-CD2 4.33Å; K328-F332 HydrophobicContact CB-CE2 3.94Å; K328-F332 WeakPolarHBondContact O-CD2 3.22Å; K328-F332 VanDerWaalsContact O-CG 3.31Å; K328-F332 WeakPolarHBondContact O-CG 3.38Å; K328-F332 PolarHBondContact O-N 3.06Å; E329-F332 PolarHBondContact O-N 2.71Å; F332-T334 VanDerWaalsContact C-N 3.32Å; F332-T334 PolarHBondContact O-N 3.4Å; F332-L335 PolarHBondContact O-N 3.03Å; F332-I336 HydrophobicContact CB-CD1 4.32Å; F332-I336 VanDerWaalsContact O-CB 3.31Å; F332-I336 WeakPolarHBondContact O-CB 3.36Å; F332-I336 WeakPolarHBondContact O-CD1 3.44Å; F332-I336 WeakPolarHBondContact O-CG1 3.1Å; F332-I336 PolarHBondContact O-N 3.11Å; F332-V544 HydrophobicContact CZ-CG1 3.76Å; F332-I546 HydrophobicContact CD1-CG1 4.42Å; F332-P547 HydrophobicContact CD2-CG 4.03Å; F332-P547 HydrophobicContact CE2-CG 4.48Å; F332-P547 HydrophobicContact CG-CG 4.26Å
333R98.4Very high97.6Very high110 Ų11048.7 Ų48.742%0.41525%0.246SC..Hα-helixtrans-57.8-46.2175.3-70.7-176.570.2-151.22.8111W262 I267 E329 L335 I336 T337W262-R333 HydrophobicContact CZ3-CB 4.24Å; W262-R333 VanDerWaalsContact CZ3-NH1 3.35Å; I267-R333 HydrophobicContact CD1-CB 4.03Å; E329-R333 HydrophobicContact CG-CG 4.29Å; E329-R333 WeakPolarHBondContact O-CB 3.33Å; E329-R333 VanDerWaalsContact O-CG 3.29Å; E329-R333 WeakPolarHBondContact O-CG 3.39Å; E329-R333 PolarHBondContact O-N 3.35Å; E329-R333 WeakPolarHBondContact OE1-CD 3.3Å; E329-R333 WeakPolarHBondContact OE1-CG 3.4Å; R333-L335 PolarHBondContact O-N 2.84Å; R333-I336 PolarHBondContact O-N 2.84Å; R333-T337 WeakPolarHBondContact O-CB 3.25Å; R333-T337 PolarHBondContact O-N 3.34Å; R333-T337 PolarHBondContact O-OG1 3.17Å
334T98.7Very high97.6Very high0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-60.7-46.9177.2-59.80000112.5W262 A330 I331 F332 N338 V373 A375W262-T334 WeakPolarHBondContact CB-OG1 3.28Å; A330-T334 WeakPolarHBondContact O-CB 3.4Å; A330-T334 PolarHBondContact O-N 2.86Å; A330-T334 PolarHBondContact O-OG1 3.15Å; I331-T334 PolarHBondContact O-N 2.85Å; F332-T334 VanDerWaalsContact C-N 3.32Å; F332-T334 PolarHBondContact O-N 3.4Å; T334-N338 PolarHBondContact O-N 3.34Å; T334-N338 PolarHBondContact O-ND2 3.45Å; T334-V373 HydrophobicContact CG2-CB 4.4Å; T334-V373 HydrophobicContact CG2-CG1 4.03Å; T334-A375 HydrophobicContact CG2-CB 4.21Å
335L98.6Very high97.5Very high0 Ų042.2 Ų42.20%021%0.213CC..Hα-helixtrans-62.4-47.9179.1-74.1172.3000111.9I294 V299 I331 F332 R333 N338 G339 M340 T344 I346 A375 I546I294-L335 HydrophobicContact CD1-CD1 4.26Å; I294-L335 HydrophobicContact CD1-CD2 3.96Å; I294-L335 HydrophobicContact CG1-CD1 3.94Å; I294-L335 HydrophobicContact CG1-CD2 4Å; V299-L335 HydrophobicContact CG2-CD1 4.03Å; I331-L335 HydrophobicContact CG2-CD1 3.91Å; I331-L335 WeakPolarHBondContact O-CG 3.36Å; I331-L335 PolarHBondContact O-N 3.25Å; F332-L335 PolarHBondContact O-N 3.03Å; R333-L335 PolarHBondContact O-N 2.84Å; L335-N338 PolarHBondContact O-N 3.42Å; L335-G339 PolarHBondContact O-N 2.95Å; L335-M340 HydrophobicContact CD2-CB 3.75Å; L335-M340 PolarHBondContact O-N 3.1Å; L335-T344 HydrophobicContact CD2-CG2 3.92Å; L335-I346 HydrophobicContact CD1-CD1 3.93Å; L335-I346 HydrophobicContact CD2-CD1 3.87Å; L335-I346 HydrophobicContact CD2-CG1 4.27Å; L335-I346 HydrophobicContact CG-CD1 3.91Å; L335-A375 HydrophobicContact CD2-CB 4.24Å; L335-I546 HydrophobicContact CD1-CD1 3.82Å; L335-I546 HydrophobicContact CD1-CG1 4.15Å
336I98.2Very high97.6Very high54 Ų5436.6 Ų36.628%0.27719%0.187SC..Hα-helixtrans-63.8-46-178.3-66.6167000110.5F332 R333 N338 G339 F341 I546 T548F332-I336 HydrophobicContact CB-CD1 4.32Å; F332-I336 VanDerWaalsContact O-CB 3.31Å; F332-I336 WeakPolarHBondContact O-CB 3.36Å; F332-I336 WeakPolarHBondContact O-CD1 3.44Å; F332-I336 WeakPolarHBondContact O-CG1 3.1Å; F332-I336 PolarHBondContact O-N 3.11Å; R333-I336 PolarHBondContact O-N 2.84Å; I336-N338 VanDerWaalsContact C-N 3.26Å; I336-N338 PolarHBondContact O-N 2.95Å; I336-G339 PolarHBondContact O-N 3.08Å; I336-F341 HydrophobicContact CG1-CE1 4.34Å; I336-I546 HydrophobicContact CD1-CG2 4.05Å; I336-I546 HydrophobicContact CG1-CG2 3.67Å; I336-T548 HydrophobicContact CD1-CG2 3.9Å; I336-T548 WeakPolarHBondContact CD1-OG1 3.44Å; I336-T548 WeakPolarHBondContact CG1-OG1 3.33Å; I336-T548 HydrophobicContact CG2-CG2 4.37Å
337T97.8Very high97.6Very high76 Ų7634.3 Ų34.347%0.46617%0.174SC..Hα-helixtrans-63.1-31179.6-63.80000112.6L260 I267 R333L260-T337 HydrophobicContact CD1-CG2 3.49Å; L260-T337 VanDerWaalsContact CD1-CG2 3.49Å; I267-T337 HydrophobicContact CG2-CG2 4.42Å; R333-T337 WeakPolarHBondContact O-CB 3.25Å; R333-T337 PolarHBondContact O-N 3.34Å; R333-T337 PolarHBondContact O-OG1 3.17Å
338N97.9Very high97.6Very high21 Ų2134.2 Ų34.211%0.11217%0.173CC..Hα-helixtrans-86.7-9174.3-74.9-77.5000114.3L260 T334 L335 I336 M340L260-N338 PolarHBondContact N-OD1 2.98Å; L260-N338 PolarHBondContact O-ND2 2.89Å; T334-N338 PolarHBondContact O-N 3.34Å; T334-N338 PolarHBondContact O-ND2 3.45Å; L335-N338 PolarHBondContact O-N 3.42Å; I336-N338 VanDerWaalsContact C-N 3.26Å; I336-N338 PolarHBondContact O-N 2.95Å; N338-M340 VanDerWaalsContact C-N 3.27Å; N338-M340 HydrophobicContact CB-CB 4.34Å; N338-M340 HydrophobicContact CB-CE 4.02Å; N338-M340 HydrophobicContact CB-CG 3.74Å; N338-M340 HydrophobicContact CB-SD 3.76Å; N338-M340 PolarHBondContact O-N 3.2Å
339G96.4Very high97.6Very high39 Ų3933.7 Ų33.740%0.40217%0.172SC..THydrogen-bonded Turntrans67.227.4-170.700000113.6L335 I336 F341L335-G339 PolarHBondContact O-N 2.95Å; I336-G339 PolarHBondContact O-N 3.08Å; G339-F341 WeakPolarHBondContact O-CD2 3.43Å; G339-F341 PolarHBondContact O-N 3.35Å
340M96.9Very high97.6Very high0 Ų028.8 Ų28.80%015%0.15CC..  trans-91.396.4-176.6-76.9175.518000111L259 L335 N338 T344 A375 W377L259-M340 HydrophobicContact CB-CE 4.45Å; L335-M340 HydrophobicContact CD2-CB 3.75Å; L335-M340 PolarHBondContact O-N 3.1Å; N338-M340 VanDerWaalsContact C-N 3.27Å; N338-M340 HydrophobicContact CB-CB 4.34Å; N338-M340 HydrophobicContact CB-CE 4.02Å; N338-M340 HydrophobicContact CB-CG 3.74Å; N338-M340 HydrophobicContact CB-SD 3.76Å; N338-M340 PolarHBondContact O-N 3.2Å; M340-T344 HydrophobicContact CB-CG2 3.92Å; M340-T344 WeakPolarHBondContact CB-OG1 3.5Å; M340-T344 HydrophobicContact CG-CG2 4.09Å; M340-T344 HydrophobicContact SD-CG2 3.66Å; M340-A375 HydrophobicContact SD-CB 3.56Å; M340-A375 VanDerWaalsContact SD-CB 3.56Å; M340-W377 HydrophobicContact CE-CD2 3.71Å; M340-W377 HydrophobicContact CE-CE3 3.53Å; M340-W377 HydrophobicContact CE-CG 4.42Å; M340-W377 HydrophobicContact CE-CH2 3.8Å; M340-W377 HydrophobicContact CE-CZ2 4Å; M340-W377 HydrophobicContact CE-CZ3 3.58Å; M340-W377 HydrophobicContact CG-CD2 4.31Å; M340-W377 HydrophobicContact CG-CH2 4.38Å; M340-W377 HydrophobicContact CG-CZ2 3.73Å
341F96Very high97.6Very high51 Ų5128.8 Ų28.822%0.22415%0.15CC..  trans-117.9-5.1-178.5-56.7-74.1000114.3I294 G297 I336 G339 I546 Y549I294-F341 VanDerWaalsContact CG2-C 3.46Å; I294-F341 VanDerWaalsContact CG2-O 3.26Å; I294-F341 WeakPolarHBondContact CG2-O 3.45Å; G297-F341 VanDerWaalsContact CA-O 3.3Å; G297-F341 WeakPolarHBondContact CA-O 3.37Å; G297-F341 PolarHBondContact N-O 2.91Å; I336-F341 HydrophobicContact CG1-CE1 4.34Å; G339-F341 WeakPolarHBondContact O-CD2 3.43Å; G339-F341 PolarHBondContact O-N 3.35Å; F341-I546 HydrophobicContact CD1-CB 4.41Å; F341-I546 HydrophobicContact CD1-CD1 4Å; F341-I546 HydrophobicContact CD1-CG2 4.1Å; F341-I546 HydrophobicContact CE1-CG2 3.86Å; F341-Y549 HydrophobicContact CB-CD2 3.51Å; F341-Y549 HydrophobicContact CB-CE2 3.66Å; F341-Y549 AromaticContact CD1-CD2 3.62Å; F341-Y549 HydrophobicContact CD1-CD2 3.62Å; F341-Y549 HydrophobicContact CD1-CG 4.17Å; F341-Y549 HydrophobicContact CD2-CD2 4.37Å; F341-Y549 HydrophobicContact CE1-CD2 4.43Å; F341-Y549 AromaticContact CG-CD2 3.58Å; F341-Y549 HydrophobicContact CG-CD2 3.58Å; F341-Y549 HydrophobicContact CG-CE2 4.17Å
342D94.2Very high97.5Very high79 Ų7929.8 Ų29.842%0.42215%0.153SC..SBendtrans-156.6166175.6-158.514.3000110.5Y295 K296 T344Y295-D342 WeakPolarHBondContact CA-OD1 3.44Å; K296-D342 PolarHBondContact N-OD1 2.92Å; K296-D342 VanDerWaalsContact N-OD1 3.13Å; D342-T344 PolarHBondContact O-N 3.02Å; D342-T344 PolarHBondContact O-OG1 3.23Å
343N92.9Very high97.4Very high66 Ų6628.9 Ų28.935%0.35315%0.149SC..SBendtrans47.734.1177.4-164.927.3000114.1R293 I294 K378 P379R293-N343 PolarHBondContact NH2-OD1 3.24Å; I294-N343 PolarHBondContact O-N 3.03Å; N343-K378 PolarHBondContact O-N 3.48Å; N343-K378 PolarHBondContact OD1-O 3.38Å; N343-P379 WeakPolarHBondContact OD1-CA 3.41Å
344T96.9Very high97.3Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-115.6138.3-173.7-59.70000109.6R293 I294 L335 M340 D342 A375 E376R293-T344 WeakPolarHBondContact CD-O 3.4Å; I294-T344 HydrophobicContact CD1-CG2 4.05Å; I294-T344 PolarHBondContact N-O 3.34Å; L335-T344 HydrophobicContact CD2-CG2 3.92Å; M340-T344 HydrophobicContact CB-CG2 3.92Å; M340-T344 WeakPolarHBondContact CB-OG1 3.5Å; M340-T344 HydrophobicContact CG-CG2 4.09Å; M340-T344 HydrophobicContact SD-CG2 3.66Å; D342-T344 PolarHBondContact O-N 3.02Å; D342-T344 PolarHBondContact O-OG1 3.23Å; T344-A375 HydrophobicContact CG2-CB 4.12Å; T344-E376 WeakPolarHBondContact CA-O 3.31Å; T344-E376 WeakPolarHBondContact CG2-O 3.47Å
345H97.6Very high97.2Very high16 Ų1628.7 Ų28.77%0.07415%0.152CC..EExtended strand (participates in β ladder)trans-112.5137.1169.617856.6000109.9L292 A375 E376 K378 M505L292-H345 WeakPolarHBondContact O-CA 3.37Å; L292-H345 PolarHBondContact O-ND1 3.06Å; H345-A375 WeakPolarHBondContact O-CA 3.4Å; H345-E376 PolarHBondContact N-O 3.15Å; H345-E376 PolarHBondContact O-N 3.11Å; H345-K378 HydrophobicContact CB-CB 4.05Å; H345-K378 HydrophobicContact CB-CD 4.12Å; H345-M505 HydrophobicContact CB-SD 3.54Å; H345-M505 VanDerWaalsContact CB-SD 3.54Å
346I98.5Very high97.1Very high0 Ų031.8 Ų31.80%017%0.17CC..EExtended strand (participates in β ladder)trans-110.1125.6169.8-53.9178.3000109.2G291 L292 I294 I331 L335 L348 V373 L374 A375G291-I346 WeakPolarHBondContact CA-O 3.17Å; L292-I346 HydrophobicContact CB-CB 4.06Å; L292-I346 HydrophobicContact CD1-CB 4.3Å; L292-I346 HydrophobicContact CD1-CD1 4.26Å; L292-I346 HydrophobicContact CD1-CG2 4.45Å; L292-I346 HydrophobicContact CG-CB 4.39Å; L292-I346 PolarHBondContact N-O 3.43Å; L292-I346 PolarHBondContact O-N 2.88Å; I294-I346 HydrophobicContact CD1-CD1 3.88Å; I294-I346 HydrophobicContact CD1-CG1 3.77Å; I331-I346 HydrophobicContact CG2-CD1 3.76Å; L335-I346 HydrophobicContact CD1-CD1 3.93Å; L335-I346 HydrophobicContact CD2-CD1 3.87Å; L335-I346 HydrophobicContact CD2-CG1 4.27Å; L335-I346 HydrophobicContact CG-CD1 3.91Å; I346-L348 HydrophobicContact CG2-CB 4.26Å; I346-L348 PolarHBondContact O-N 3.16Å; I346-V373 HydrophobicContact CD1-CG1 4.33Å; I346-V373 HydrophobicContact CG2-CG1 3.55Å; I346-L374 CarbonylContact C-O 3.48Å; I346-L374 VanDerWaalsContact CA-O 3.29Å; I346-L374 WeakPolarHBondContact CA-O 3.39Å; I346-A375 HydrophobicContact CG1-CB 3.91Å
347R98.2Very high97Very high64 Ų6432.5 Ų32.524%0.24218%0.177CC..EExtended strand (participates in β ladder)trans-88.593.8158.6-179.665.9175-139.22108W289 L374W289-R347 VanDerWaalsContact CD2-NH1 3.34Å; W289-R347 VanDerWaalsContact CE3-CD 3.42Å; W289-R347 VanDerWaalsContact CE3-NE 3.27Å; W289-R347 VanDerWaalsContact CG-NH2 3.32Å; R347-L374 HydrophobicContact CB-CB 4.31Å; R347-L374 PolarHBondContact N-O 3.1Å; R347-L374 PolarHBondContact O-N 3.07Å
348L98.8Very high96.9Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-84122175.6-178.569.8000107.6W289 E290 L292 L306 L309 I327 I331 I346 L371 I372 V373W289-L348 CarbonylContact C-O 3.49Å; W289-L348 WeakPolarHBondContact CA-O 3.4Å; W289-L348 WeakPolarHBondContact CB-O 3.19Å; E290-L348 HydrophobicContact CB-CB 4.23Å; E290-L348 HydrophobicContact CB-CD2 4.32Å; E290-L348 PolarHBondContact N-O 3.02Å; E290-L348 PolarHBondContact O-N 2.96Å; L292-L348 HydrophobicContact CD1-CB 4.4Å; L292-L348 HydrophobicContact CD1-CD2 4.31Å; L306-L348 HydrophobicContact CD2-CD2 4.06Å; L309-L348 HydrophobicContact CD2-CD2 3.9Å; I327-L348 HydrophobicContact CG2-CD1 4.29Å; I327-L348 HydrophobicContact CG2-CD2 4.01Å; I331-L348 HydrophobicContact CD1-CD1 4.22Å; I331-L348 HydrophobicContact CD1-CD2 4.08Å; I331-L348 HydrophobicContact CG1-CD1 4.1Å; I346-L348 HydrophobicContact CG2-CB 4.26Å; I346-L348 PolarHBondContact O-N 3.16Å; L348-L371 HydrophobicContact CD1-CD1 3.87Å; L348-I372 CarbonylContact C-O 3.54Å; L348-I372 WeakPolarHBondContact CA-O 3.32Å; L348-V373 HydrophobicContact CD1-CG2 3.82Å
349S98.7Very high96.7Very high10 Ų1033 Ų337%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-127.9142177.8-51.60000110.5V288 I372V288-S349 WeakPolarHBondContact O-CA 3.47Å; S349-I372 PolarHBondContact N-O 3.23Å; S349-I372 PolarHBondContact O-N 3.01Å
350L98.7Very high96.5Very high0 Ų040.1 Ų40.10%021%0.214CC..EExtended strand (participates in β ladder)trans-125.6111.6172.9-174.873000107.9S287 V288 L309 A313 F318 V321 P322 C369 L371S287-L350 WeakPolarHBondContact CA-O 3.31Å; S287-L350 PolarHBondContact OG-O 3.29Å; V288-L350 HydrophobicContact CG2-CB 3.93Å; V288-L350 HydrophobicContact CG2-CD2 4.49Å; V288-L350 PolarHBondContact N-O 2.84Å; V288-L350 PolarHBondContact O-N 3.01Å; L309-L350 HydrophobicContact CD1-CB 4.42Å; A313-L350 HydrophobicContact CB-CD2 4.33Å; F318-L350 HydrophobicContact CD2-CD2 4.1Å; F318-L350 HydrophobicContact CD2-CG 4.37Å; F318-L350 HydrophobicContact CE2-CD2 4.42Å; F318-L350 HydrophobicContact CE2-CG 4.29Å; F318-L350 WeakPolarHBondContact CE2-O 3.27Å; V321-L350 HydrophobicContact CG1-CD2 3.88Å; P322-L350 HydrophobicContact CG-CD1 4.17Å; L350-C369 HydrophobicContact CD1-CB 3.58Å; L350-C369 HydrophobicContact CD2-CB 4.49Å; L350-C369 HydrophobicContact CG-CB 4.04Å; L350-L371 HydrophobicContact CD1-CB 4.22Å; L350-L371 HydrophobicContact CD1-CD1 4.1Å
351T98.3Very high96.4Very high0 Ų042.6 Ų42.60%023%0.232CC..EExtended strand (participates in β ladder)trans-87157173.383.40000109.5D279 V281 F318 G353 C369 T370 I372D279-T351 WeakPolarHBondContact OD1-CB 3.41Å; D279-T351 WeakPolarHBondContact OD1-CG2 3.28Å; D279-T351 PolarHBondContact OD1-OG1 3.38Å; D279-T351 PolarHBondContact OD2-OG1 3.3Å; V281-T351 HydrophobicContact CB-CG2 3.72Å; V281-T351 HydrophobicContact CG1-CG2 3.81Å; V281-T351 HydrophobicContact CG2-CG2 4.32Å; F318-T351 VanDerWaalsContact CE2-C 3.44Å; T351-G353 PolarHBondContact O-N 3.44Å; T351-G353 VanDerWaalsContact O-N 3.15Å; T351-G353 VanDerWaalsContact OG1-CA 3.26Å; T351-G353 WeakPolarHBondContact OG1-CA 3.38Å; T351-G353 PolarHBondContact OG1-N 2.99Å; T351-C369 VanDerWaalsContact O-CA 3.27Å; T351-C369 WeakPolarHBondContact O-CA 3.47Å; T351-C369 VanDerWaalsContact O-CB 3.23Å; T351-C369 WeakPolarHBondContact O-CB 3.3Å; T351-T370 PolarHBondContact N-O 3.5Å; T351-T370 PolarHBondContact O-N 2.61Å; T351-T370 WeakPolarHBondContact OG1-CB 3.43Å; T351-I372 HydrophobicContact CG2-CD1 4.19Å
352R97.3Very high96.3Very high21 Ų2143.4 Ų43.48%0.07924%0.242CC..  trans-63.6-15168.1-162.7-170.8-59.7-81.3-10.2111.6S280 D286 L316 A317 F318 N365S280-R352 WeakPolarHBondContact OG-CB 3.34Å; S280-R352 PolarHBondContact OG-N 2.85Å; D286-R352 PolarHBondContact O-N 3.19Å; D286-R352 IonicContact OD1-CZ 3.9Å; D286-R352 IonicContact OD1-NE 3.58Å; D286-R352 IonicContact OD1-NH2 3.98Å; D286-R352 PolarHBondContact OD1-NH2 3.16Å; D286-R352 IonicContact OD2-CZ 3.5Å; D286-R352 IonicContact OD2-NE 3.57Å; D286-R352 PolarHBondContact OD2-NE 2.79Å; D286-R352 IonicContact OD2-NH2 3.86Å; D286-R352 PolarHBondContact OD2-NH2 3.34Å; L316-R352 PolarHBondContact O-NH1 3.36Å; L316-R352 PolarHBondContact O-NH2 3.19Å; A317-R352 PolarHBondContact O-NH1 3.12Å; F318-R352 HydrophobicContact CD1-CB 4.23Å; F318-R352 HydrophobicContact CD1-CG 4.16Å; F318-R352 VanDerWaalsContact CD1-CZ 3.47Å; F318-R352 HydrophobicContact CE1-CB 3.83Å; F318-R352 HydrophobicContact CE1-CG 4.24Å; F318-R352 VanDerWaalsContact CE1-NH2 3.32Å; F318-R352 HydrophobicContact CE2-CB 4.2Å; F318-R352 VanDerWaalsContact CE2-N 3.33Å; F318-R352 HydrophobicContact CG-CG 4.47Å; F318-R352 HydrophobicContact CZ-CB 3.81Å; R352-N365 HydrophobicContact CG-CB 3.79Å; R352-N365 PolarHBondContact O-ND2 2.79Å
353G97Very high96.4Very high0 Ų043.1 Ų43.10%025%0.25CS..  trans99.4-166.9171.300000114.1D279 S280 T351 N365 G368D279-G353 WeakPolarHBondContact OD2-CA 3.48Å; S280-G353 PolarHBondContact N-O 2.97Å; S280-G353 PolarHBondContact OG-N 3Å; S280-G353 PolarHBondContact OG-O 3.43Å; T351-G353 PolarHBondContact O-N 3.44Å; T351-G353 VanDerWaalsContact O-N 3.15Å; T351-G353 VanDerWaalsContact OG1-CA 3.26Å; T351-G353 WeakPolarHBondContact OG1-CA 3.38Å; T351-G353 PolarHBondContact OG1-N 2.99Å; G353-N365 PolarHBondContact O-ND2 3.07Å; G353-G368 WeakPolarHBondContact CA-O 3.36Å
354K96.2Very high96.5Very high91 Ų9143.4 Ų43.440%0.39625%0.249SC..BIsolated β-bridgetrans-66.7143.1-179.8-65.4-178.3-65-172.50111.6N365 Y367K354-N365 WeakPolarHBondContact O-CA 3.41Å; K354-Y367 HydrophobicContact CB-CD2 3.69Å; K354-Y367 HydrophobicContact CB-CE2 4.41Å; K354-Y367 HydrophobicContact CB-CG 4.12Å; K354-Y367 WeakPolarHBondContact O-CD2 3.32Å
355K95.7Very high96.5Very high15 Ų1544.5 Ų44.57%0.06526%0.255CS..  trans-97.2147.7170-61.7176-179.5173.50110.7F278 T357 G359 F364F278-K355 WeakPolarHBondContact O-CB 3.42Å; F278-K355 PolarHBondContact O-N 3.22Å; K355-T357 WeakPolarHBondContact CB-O 3.33Å; K355-T357 PolarHBondContact O-N 3.31Å; K355-G359 PolarHBondContact NZ-O 2.79Å; K355-F364 CarbonylContact C-O 3.38Å; K355-F364 VanDerWaalsContact CA-O 3.27Å; K355-F364 WeakPolarHBondContact CA-O 3.17Å; K355-F364 HydrophobicContact CB-CB 4.08Å; K355-F364 HydrophobicContact CG-CB 4.29Å
356V97Very high96.3Very high65 Ų6553.1 Ų53.139%0.39429%0.286SS..SBendtrans-70.2-21.4170.5-62.20000112.7F364 R366 Y367V356-F364 HydrophobicContact CG2-CB 4.11Å; V356-F364 HydrophobicContact CG2-CD1 4.07Å; V356-F364 HydrophobicContact CG2-CG 4.48Å; V356-F364 PolarHBondContact N-O 2.92Å; V356-R366 HydrophobicContact CG1-CB 4.04Å; V356-R366 HydrophobicContact CG1-CG 4.29Å; V356-Y367 HydrophobicContact CB-CE2 4.35Å; V356-Y367 HydrophobicContact CG1-CD2 4.41Å; V356-Y367 HydrophobicContact CG1-CE2 3.56Å
357T96.4Very high96.2Very high68 Ų6860 Ų6042%0.41731%0.313SS..SBendtrans-157.9162.7176.1-170.70000110.5K355 F364K355-T357 WeakPolarHBondContact CB-O 3.33Å; K355-T357 PolarHBondContact O-N 3.31Å; T357-F364 HydrophobicContact CG2-CD1 3.95Å; T357-F364 HydrophobicContact CG2-CD2 4.17Å; T357-F364 HydrophobicContact CG2-CE1 4.05Å; T357-F364 HydrophobicContact CG2-CE2 4.25Å; T357-F364 HydrophobicContact CG2-CG 4.02Å; T357-F364 HydrophobicContact CG2-CZ 4.2Å
358S95.5Very high96Very high82 Ų8257.7 Ų57.757%0.57331%0.31SS*.SBendtrans-64.6139.8173.1-176.20000111Q283Q283-S358 PolarHBondContact OE1-OG 3.48Å
359G92.8Very high96Very high25 Ų2558.8 Ų58.826%0.25832%0.317SS..SBendtrans156.9163.3178.700000112.8K355K355-G359 PolarHBondContact NZ-O 2.79Å
360M91.9Very high96Very high189 Ų18959.2 Ų59.293%0.93132%0.32SS*.SBendtrans-84.8-17.4-176.1-66-174.2-65.800114.1P362M360-P362 WeakPolarHBondContact O-CD 3.2Å
361S94.9Very high96Very high53 Ų5359.7 Ų59.737%0.37132%0.322SS..  trans-71.2126.9-175.5-178.50000112.1A363 F364S361-A363 PolarHBondContact O-N 3.41Å; S361-A363 VanDerWaalsContact O-N 3.11Å; S361-A363 WeakPolarHBondContact OG-CB 3.38Å; S361-A363 PolarHBondContact OG-N 3.03Å; S361-F364 PolarHBondContact O-N 2.74Å
362P95.3Very high96Very high68 Ų6861.3 Ų61.344%0.44233%0.33SS..G310 helixtrans-59.2-18.9171.8-26.836.4000114M360 F364 N365M360-P362 WeakPolarHBondContact O-CD 3.2Å; P362-F364 PolarHBondContact O-N 3.12Å; P362-F364 VanDerWaalsContact O-N 3.13Å; P362-N365 WeakPolarHBondContact O-CB 3.49Å; P362-N365 PolarHBondContact O-N 3.42Å
363A95.6Very high96.1Very high72 Ų7260.3 Ų60.360%0.59533%0.327SS*.G310 helixtrans-62.2-18.6177.500000113.4S361 N365S361-A363 PolarHBondContact O-N 3.41Å; S361-A363 VanDerWaalsContact O-N 3.11Å; S361-A363 WeakPolarHBondContact OG-CB 3.38Å; S361-A363 PolarHBondContact OG-N 3.03Å; A363-N365 VanDerWaalsContact C-N 3.33Å
364F95.9Very high96.1Very high72 Ų7263 Ų6332%0.31634%0.341SS..G310 helixtrans-79.8-14.7175.8-59-43.7000113.4K355 V356 T357 S361 P362 R366K355-F364 CarbonylContact C-O 3.38Å; K355-F364 VanDerWaalsContact CA-O 3.27Å; K355-F364 WeakPolarHBondContact CA-O 3.17Å; K355-F364 HydrophobicContact CB-CB 4.08Å; K355-F364 HydrophobicContact CG-CB 4.29Å; V356-F364 HydrophobicContact CG2-CB 4.11Å; V356-F364 HydrophobicContact CG2-CD1 4.07Å; V356-F364 HydrophobicContact CG2-CG 4.48Å; V356-F364 PolarHBondContact N-O 2.92Å; T357-F364 HydrophobicContact CG2-CD1 3.95Å; T357-F364 HydrophobicContact CG2-CD2 4.17Å; T357-F364 HydrophobicContact CG2-CE1 4.05Å; T357-F364 HydrophobicContact CG2-CE2 4.25Å; T357-F364 HydrophobicContact CG2-CG 4.02Å; T357-F364 HydrophobicContact CG2-CZ 4.2Å; S361-F364 PolarHBondContact O-N 2.74Å; P362-F364 PolarHBondContact O-N 3.12Å; P362-F364 VanDerWaalsContact O-N 3.13Å; F364-R366 PolarHBondContact O-N 2.88Å
365N96.5Very high96.2Very high24 Ų2458.6 Ų58.613%0.12832%0.322CS..  trans-78.783.6176.7-70.979.3000111.2R352 G353 K354 P362 A363R352-N365 HydrophobicContact CG-CB 3.79Å; R352-N365 PolarHBondContact O-ND2 2.79Å; G353-N365 PolarHBondContact O-ND2 3.07Å; K354-N365 WeakPolarHBondContact O-CA 3.41Å; P362-N365 WeakPolarHBondContact O-CB 3.49Å; P362-N365 PolarHBondContact O-N 3.42Å; A363-N365 VanDerWaalsContact C-N 3.33Å
366R94.1Very high96.4Very high196 Ų19659.8 Ų59.874%0.7433%0.327SS*.  trans-107.8-3.9-174-62.2-177.465.1176.40.9114.5V356 F364V356-R366 HydrophobicContact CG1-CB 4.04Å; V356-R366 HydrophobicContact CG1-CG 4.29Å; F364-R366 PolarHBondContact O-N 2.88Å
367Y94.7Very high96.4Very high144 Ų14460 Ų6057%0.56532%0.321SS*.SBendtrans-952.1-176.5-61-85000113.9K354 V356K354-Y367 HydrophobicContact CB-CD2 3.69Å; K354-Y367 HydrophobicContact CB-CE2 4.41Å; K354-Y367 HydrophobicContact CB-CG 4.12Å; K354-Y367 WeakPolarHBondContact O-CD2 3.32Å; V356-Y367 HydrophobicContact CB-CE2 4.35Å; V356-Y367 HydrophobicContact CG1-CD2 4.41Å; V356-Y367 HydrophobicContact CG1-CE2 3.56Å
368G95.6Very high96.3Very high17 Ų1760.1 Ų60.118%0.17532%0.316CS..  trans83.4169.8-172.500000113G353G353-G368 WeakPolarHBondContact CA-O 3.36Å
369C98Very high96Very high22 Ų2259.3 Ų59.315%0.14931%0.309CS..  trans-66.6155178.8-62.90000111.5N319 L350 T351N319-C369 PolarHBondContact O-SG 2.85Å; N319-C369 VanDerWaalsContact O-SG 3.38Å; L350-C369 HydrophobicContact CD1-CB 3.58Å; L350-C369 HydrophobicContact CD2-CB 4.49Å; L350-C369 HydrophobicContact CG-CB 4.04Å; T351-C369 VanDerWaalsContact O-CA 3.27Å; T351-C369 WeakPolarHBondContact O-CA 3.47Å; T351-C369 VanDerWaalsContact O-CB 3.23Å; T351-C369 WeakPolarHBondContact O-CB 3.3Å
370T98.2Very high95.7Very high20 Ų2061 Ų6112%0.12332%0.315CS..EExtended strand (participates in β ladder)trans-112113.8170.8-63.90000109.6V263 V275 T351 I372V263-T370 HydrophobicContact CG1-CG2 4.47Å; V275-T370 HydrophobicContact CG1-CG2 4.37Å; T351-T370 PolarHBondContact N-O 3.5Å; T351-T370 PolarHBondContact O-N 2.61Å; T351-T370 WeakPolarHBondContact OG1-CB 3.43Å; T370-I372 HydrophobicContact CG2-CG1 4.32Å
371L98.7Very high95.4Very high10 Ų1056 Ų565%0.05230%0.295CS..EExtended strand (participates in β ladder)trans-83.7134.9175.8-175.566.9000109.9G264 I327 A330 L348 L350 V373G264-L371 PolarHBondContact N-O 2.92Å; I327-L371 HydrophobicContact CG1-CD1 4.38Å; I327-L371 HydrophobicContact CG1-CD2 4.23Å; I327-L371 HydrophobicContact CG2-CD1 4.44Å; A330-L371 HydrophobicContact CB-CD2 3.63Å; L348-L371 HydrophobicContact CD1-CD1 3.87Å; L350-L371 HydrophobicContact CD1-CB 4.22Å; L350-L371 HydrophobicContact CD1-CD1 4.1Å; L371-V373 HydrophobicContact CG-CG2 4.47Å
372I98.8Very high94.9Very high33 Ų3355.4 Ų55.417%0.16929%0.285CS..EExtended strand (participates in β ladder)trans-128.7123.1177.9-55.8169000108.3W262 V275 L348 S349 T351 T370W262-I372 VanDerWaalsContact O-CA 3.31Å; W262-I372 WeakPolarHBondContact O-CA 3.47Å; V275-I372 HydrophobicContact CG1-CD1 3.7Å; V275-I372 HydrophobicContact CG1-CG1 4.45Å; L348-I372 CarbonylContact C-O 3.54Å; L348-I372 WeakPolarHBondContact CA-O 3.32Å; S349-I372 PolarHBondContact N-O 3.23Å; S349-I372 PolarHBondContact O-N 3.01Å; T351-I372 HydrophobicContact CG2-CD1 4.19Å; T370-I372 HydrophobicContact CG2-CG1 4.32Å
373V98.8Very high94.4Very high0 Ų056.4 Ų56.40%029%0.287CS..EExtended strand (participates in β ladder)trans-115.199.6173.2-169.90000107.9W262 A330 I331 T334 I346 L348 L371W262-V373 HydrophobicContact CB-CB 3.64Å; W262-V373 HydrophobicContact CB-CG2 3.78Å; W262-V373 HydrophobicContact CG-CG2 4.14Å; W262-V373 PolarHBondContact N-O 3.22Å; W262-V373 PolarHBondContact O-N 3.38Å; A330-V373 HydrophobicContact CB-CG2 4.08Å; I331-V373 HydrophobicContact CG1-CG1 4.31Å; I331-V373 HydrophobicContact CG1-CG2 4.35Å; T334-V373 HydrophobicContact CG2-CB 4.4Å; T334-V373 HydrophobicContact CG2-CG1 4.03Å; I346-V373 HydrophobicContact CD1-CG1 4.33Å; I346-V373 HydrophobicContact CG2-CG1 3.55Å; L348-V373 HydrophobicContact CD1-CG2 3.82Å; L371-V373 HydrophobicContact CG-CG2 4.47Å
374L98.6Very high94.1Very high56 Ų5654.2 Ų54.229%0.29327%0.265SS..EExtended strand (participates in β ladder)trans-101.8101174.1174.860.9000109.4L259 A261 I346 R347 E376L259-L374 HydrophobicContact CD1-CD1 4.09Å; L259-L374 HydrophobicContact CD2-CD1 4.43Å; A261-L374 HydrophobicContact CB-CD1 4.41Å; I346-L374 CarbonylContact C-O 3.48Å; I346-L374 VanDerWaalsContact CA-O 3.29Å; I346-L374 WeakPolarHBondContact CA-O 3.39Å; R347-L374 HydrophobicContact CB-CB 4.31Å; R347-L374 PolarHBondContact N-O 3.1Å; R347-L374 PolarHBondContact O-N 3.07Å; L374-E376 HydrophobicContact CD1-CG 4.31Å
375A98.3Very high93.8Very high0 Ų056.3 Ų56.30%028%0.28CS..EExtended strand (participates in β ladder)trans-98.3134.3174.900000110.7T334 L335 M340 T344 H345 I346T334-A375 HydrophobicContact CG2-CB 4.21Å; L335-A375 HydrophobicContact CD2-CB 4.24Å; M340-A375 HydrophobicContact SD-CB 3.56Å; M340-A375 VanDerWaalsContact SD-CB 3.56Å; T344-A375 HydrophobicContact CG2-CB 4.12Å; H345-A375 WeakPolarHBondContact O-CA 3.4Å; I346-A375 HydrophobicContact CG1-CB 3.91Å
376E98.1Very high93.6Very high40 Ų4057 Ų5719%0.18729%0.292CS..EExtended strand (participates in β ladder)trans-136.4139.9177.4-71-174.812400110.2L259 R270 T344 H345 L374 K378L259-E376 HydrophobicContact CD2-CG 3.69Å; R270-E376 IonicContact NH1-OE1 2.69Å; R270-E376 PolarHBondContact NH1-OE1 2.95Å; T344-E376 WeakPolarHBondContact CA-O 3.31Å; T344-E376 WeakPolarHBondContact CG2-O 3.47Å; H345-E376 PolarHBondContact N-O 3.15Å; H345-E376 PolarHBondContact O-N 3.11Å; L374-E376 HydrophobicContact CD1-CG 4.31Å; E376-K378 PolarHBondContact O-N 3.02Å
377W97.3Very high93.6Very high69 Ų6948.4 Ų48.426%0.26127%0.265SS..EExtended strand (participates in β ladder)trans-62.5120160.2-68.8-74.1000107.3V253 E255 N256 M340V253-W377 HydrophobicContact CG1-CB 3.93Å; V253-W377 WeakPolarHBondContact CG2-O 3.11Å; E255-W377 HydrophobicContact CB-CD2 4.48Å; E255-W377 HydrophobicContact CB-CE3 3.7Å; E255-W377 HydrophobicContact CB-CZ3 3.83Å; N256-W377 PolarHBondContact ND2-O 3.3Å; N256-W377 VanDerWaalsContact OD1-CE3 3.29Å; N256-W377 PolarHBondContact OD1-N 3.2Å; M340-W377 HydrophobicContact CE-CD2 3.71Å; M340-W377 HydrophobicContact CE-CE3 3.53Å; M340-W377 HydrophobicContact CE-CG 4.42Å; M340-W377 HydrophobicContact CE-CH2 3.8Å; M340-W377 HydrophobicContact CE-CZ2 4Å; M340-W377 HydrophobicContact CE-CZ3 3.58Å; M340-W377 HydrophobicContact CG-CD2 4.31Å; M340-W377 HydrophobicContact CG-CH2 4.38Å; M340-W377 HydrophobicContact CG-CZ2 3.73Å
378K94.8Very high93.7Very high70 Ų7041.7 Ų41.730%0.30424%0.238SC..  trans-149.7103.5-170.8-160.5174.3-178.6171.80110R293 N343 H345 E376 M505R293-K378 VanDerWaalsContact CZ-O 3.3Å; R293-K378 PolarHBondContact NH1-O 3.2Å; R293-K378 PolarHBondContact NH2-O 2.82Å; N343-K378 PolarHBondContact O-N 3.48Å; N343-K378 PolarHBondContact OD1-O 3.38Å; H345-K378 HydrophobicContact CB-CB 4.05Å; H345-K378 HydrophobicContact CB-CD 4.12Å; E376-K378 PolarHBondContact O-N 3.02Å; K378-M505 HydrophobicContact CB-CE 4.09Å; K378-M505 HydrophobicContact CD-CE 3.53Å; K378-M505 HydrophobicContact CD-SD 3.93Å; K378-M505 HydrophobicContact CG-CE 3.51Å; K378-M505 HydrophobicContact CG-SD 4.44Å
379P90Very high93.8Very high65 Ų6542.7 Ų42.742%0.42224%0.241SC..  trans-62163.3172.926.9-33.3000111.6N343 M505N343-P379 WeakPolarHBondContact OD1-CA 3.41Å; P379-M505 WeakPolarHBondContact O-CE 3.34Å
380P85.9Confident93.9Very high61 Ų6141.7 Ų41.740%0.39624%0.235SC..  trans-51.1140171.6-26.235.3000111.8M505P380-M505 WeakPolarHBondContact CA-O 3.29Å
381V84.8Confident93.9Very high85 Ų8542.2 Ų42.252%0.51524%0.237SC..SBendtrans-84.2-26.9-171.9175.90000112.6M505V381-M505 HydrophobicContact CG2-CB 4.05Å; V381-M505 HydrophobicContact CG2-CE 3.72Å; V381-M505 PolarHBondContact N-O 3.39Å
382Y85.8Confident93.9Very high39 Ų3943 Ų4315%0.15324%0.243CC..SBendtrans-111.6151.8-175.9-63.8-57.2000111.8N384 I388 D428 S509Y382-N384 PolarHBondContact O-N 3.47Å; Y382-I388 HydrophobicContact CD1-CG2 3.65Å; Y382-I388 HydrophobicContact CE1-CG2 4.41Å; Y382-I388 HydrophobicContact CG-CG2 3.97Å; Y382-D428 HydrophobicContact CE1-CB 4.34Å; Y382-S509 WeakPolarHBondContact CB-OG 3.09Å; Y382-S509 WeakPolarHBondContact CD2-OG 3.47Å
383D84.1Confident93.9Very high89 Ų8941.5 Ų41.548%0.47624%0.235SC..  trans-74.4100.6171.4-177.6-0.5000110D385 G386 G387D383-D385 PolarHBondContact O-N 3.43Å; D383-D385 WeakPolarHBondContact OD1-CA 3.23Å; D383-D385 PolarHBondContact OD1-N 3.12Å; D383-G386 PolarHBondContact OD1-N 3.29Å; D383-G386 VanDerWaalsContact OD2-CA 3.28Å; D383-G386 WeakPolarHBondContact OD2-CA 3.48Å; D383-G386 PolarHBondContact OD2-N 3.24Å; D383-G386 VanDerWaalsContact OD2-N 3.17Å; D383-G387 WeakPolarHBondContact O-CA 3.38Å; D383-G387 PolarHBondContact O-N 2.93Å
384N88.2Confident93.8Very high26 Ų2646.7 Ų46.714%0.13927%0.267CS..THydrogen-bonded Turntrans-76.3-4.5178.4-75.3-18.3000113.2Y382 G506 L508 S509 R529 Q532Y382-N384 PolarHBondContact O-N 3.47Å; N384-G506 PolarHBondContact ND2-O 2.79Å; N384-G506 PolarHBondContact OD1-O 2.8Å; N384-G506 VanDerWaalsContact OD1-O 3.11Å; N384-L508 PolarHBondContact OD1-O 2.81Å; N384-S509 VanDerWaalsContact OD1-CA 3.27Å; N384-S509 WeakPolarHBondContact OD1-CA 3.19Å; N384-S509 WeakPolarHBondContact OD1-CB 3.37Å; N384-S509 PolarHBondContact OD1-OG 3Å; N384-R529 PolarHBondContact O-NH1 2.78Å; N384-Q532 PolarHBondContact O-NE2 3.36Å
385D90.9Very high93.8Very high117 Ų11745.4 Ų45.463%0.62626%0.261SS*.THydrogen-bonded Turntrans-105.5-41.3179.3-70.9-42.4000113.7D383 V524 R529D383-D385 PolarHBondContact O-N 3.43Å; D383-D385 WeakPolarHBondContact OD1-CA 3.23Å; D383-D385 PolarHBondContact OD1-N 3.12Å; D385-V524 WeakPolarHBondContact O-CG2 3.47Å; D385-R529 PolarHBondContact O-NH2 2.85Å; D385-R529 IonicContact OD1-CZ 2.81Å; D385-R529 IonicContact OD1-NH1 3.15Å; D385-R529 PolarHBondContact OD1-NH1 2.92Å; D385-R529 IonicContact OD1-NH2 2.73Å
386G91.2Very high93.7Very high38 Ų3850.8 Ų50.839%0.39228%0.282SS..THydrogen-bonded Turntrans-90.1-26175.600000114.6D383 V512D383-G386 PolarHBondContact OD1-N 3.29Å; D383-G386 VanDerWaalsContact OD2-CA 3.28Å; D383-G386 WeakPolarHBondContact OD2-CA 3.48Å; D383-G386 PolarHBondContact OD2-N 3.24Å; D383-G386 VanDerWaalsContact OD2-N 3.17Å; G386-V512 WeakPolarHBondContact O-CG1 3.41Å
387G95Very high93.6Very high16 Ų1649.8 Ų49.817%0.16528%0.276CS..  trans80.4173.1-178.400000114.4D383 P510D383-G387 WeakPolarHBondContact O-CA 3.38Å; D383-G387 PolarHBondContact O-N 2.93Å; G387-P510 CarbonylContact C-O 3.43Å; G387-P510 WeakPolarHBondContact CA-O 3.37Å
388I96.7Very high93.5Very high2 Ų248 Ų481%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-116.4160.7-172.867.7175.4000112.1Y382 L390 D428 T501 P510 V511 V512Y382-I388 HydrophobicContact CD1-CG2 3.65Å; Y382-I388 HydrophobicContact CE1-CG2 4.41Å; Y382-I388 HydrophobicContact CG-CG2 3.97Å; I388-L390 HydrophobicContact CD1-CD2 3.83Å; I388-L390 HydrophobicContact CG1-CD2 4.25Å; I388-D428 HydrophobicContact CB-CB 3.86Å; I388-D428 HydrophobicContact CG2-CB 4.27Å; I388-T501 HydrophobicContact CD1-CG2 4.3Å; I388-P510 WeakPolarHBondContact CG1-O 3.46Å; I388-P510 PolarHBondContact N-O 3.07Å; I388-V511 HydrophobicContact CD1-CG2 4.21Å; I388-V511 HydrophobicContact CG1-CG2 3.86Å; I388-V511 WeakPolarHBondContact O-CA 3.49Å; I388-V512 PolarHBondContact O-N 2.99Å
389V98.2Very high93.4Very high39 Ų3945 Ų4524%0.23626%0.26CS..EExtended strand (participates in β ladder)trans-109.2133.2175.2-1770000109.6V427 D428 V512 K513V389-V427 HydrophobicContact CB-CB 4.23Å; V389-V427 HydrophobicContact CB-CG1 4.26Å; V389-V427 HydrophobicContact CG1-CB 4.01Å; V389-V427 HydrophobicContact CG1-CG1 3.6Å; V389-D428 PolarHBondContact N-OD2 3.41Å; V389-D428 WeakPolarHBondContact O-CB 3.37Å; V389-D428 PolarHBondContact O-N 3.34Å; V389-V512 HydrophobicContact CG2-CG2 4.23Å; V389-K513 WeakPolarHBondContact CA-O 3.43Å; V389-K513 HydrophobicContact CG1-CB 3.98Å; V389-K513 HydrophobicContact CG1-CD 4.15Å; V389-K513 HydrophobicContact CG1-CG 4.12Å; V389-K513 HydrophobicContact CG2-CB 4.21Å
390L98.6Very high93.6Very high1 Ų145 Ų451%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-116.2151.5179.5-57.5-176.2000112.2I388 D429 I431 T442 I447 T501 V511 K513 I514 D515I388-L390 HydrophobicContact CD1-CD2 3.83Å; I388-L390 HydrophobicContact CG1-CD2 4.25Å; L390-D429 WeakPolarHBondContact CA-O 3.04Å; L390-D429 HydrophobicContact CD2-CB 3.54Å; L390-D429 WeakPolarHBondContact CD2-O 3.38Å; L390-I431 HydrophobicContact CB-CD1 4.18Å; L390-I431 HydrophobicContact CB-CG1 4.08Å; L390-I431 HydrophobicContact CD1-CD1 3.97Å; L390-I431 HydrophobicContact CD1-CG1 3.74Å; L390-T442 HydrophobicContact CD1-CG2 4.2Å; L390-I447 HydrophobicContact CD1-CD1 4.16Å; L390-T501 HydrophobicContact CD1-CG2 4.29Å; L390-V511 HydrophobicContact CB-CG1 4.41Å; L390-V511 HydrophobicContact CD1-CB 4.37Å; L390-V511 HydrophobicContact CD1-CG1 3.81Å; L390-V511 HydrophobicContact CD1-CG2 3.6Å; L390-V511 HydrophobicContact CG-CG1 3.8Å; L390-V511 HydrophobicContact CG-CG2 4.07Å; L390-K513 PolarHBondContact N-O 3.49Å; L390-I514 HydrophobicContact CB-CG1 4.37Å; L390-I514 WeakPolarHBondContact O-CA 3.42Å; L390-D515 PolarHBondContact O-N 2.75Å
391V98.6Very high94Very high30 Ų3048.8 Ų48.818%0.18228%0.277CS..EExtended strand (participates in β ladder)trans-121.2150.616568.90000109.6A425 V427 D429 A430 I431 D515V391-A425 HydrophobicContact CB-CB 4.33Å; V391-A425 HydrophobicContact CG1-CB 4.11Å; V391-A425 HydrophobicContact CG2-CB 4.34Å; V391-V427 HydrophobicContact CB-CG2 3.77Å; V391-V427 HydrophobicContact CG1-CG2 3.57Å; V391-D429 PolarHBondContact N-O 3.49Å; V391-A430 HydrophobicContact CG1-CB 4.36Å; V391-A430 CarbonylContact O-C 3.6Å; V391-A430 WeakPolarHBondContact O-CA 3.44Å; V391-I431 PolarHBondContact O-N 3.3Å; V391-D515 WeakPolarHBondContact CA-OD1 3.31Å
392T98.7Very high94.3Very high28 Ų2850.1 Ų50.117%0.17228%0.281CS..EExtended strand (participates in β ladder)trans-80.7122.5171.5-60.30000109.7L433 L490 D515T392-L433 HydrophobicContact CG2-CD1 3.95Å; T392-L433 HydrophobicContact CG2-CD2 4.25Å; T392-L433 HydrophobicContact CG2-CG 3.94Å; T392-L490 HydrophobicContact CG2-CD2 3.93Å; T392-L490 VanDerWaalsContact OG1-CD1 3.32Å; T392-L490 WeakPolarHBondContact OG1-CD1 3.42Å; T392-L490 WeakPolarHBondContact OG1-CD2 3.18Å; T392-D515 PolarHBondContact N-OD1 3Å; T392-D515 PolarHBondContact OG1-OD1 3.16Å; T392-D515 PolarHBondContact OG1-OD2 3.38Å
393A98.4Very high94.7Very high1 Ų150.7 Ų50.71%0.00829%0.286CS..  trans-74.4144.5173.700000111.7T395 A418 A430 I431A393-T395 VanDerWaalsContact C-N 3.32Å; A393-A418 HydrophobicContact CB-CB 3.74Å; A393-A430 HydrophobicContact CB-CB 3.97Å; A393-I431 PolarHBondContact N-O 2.84Å
394T97.7Very high95.2Very high109 Ų10948.4 Ų48.467%0.66927%0.274SS*.SBendtrans-71.4-31.5166.161.80000111.1R396 E421T394-R396 PolarHBondContact O-N 3.38Å; T394-R396 PolarHBondContact O-NH1 2.8Å; T394-E421 WeakPolarHBondContact CB-OE2 3.45Å; T394-E421 PolarHBondContact N-OE2 3.04Å; T394-E421 VanDerWaalsContact OG1-CD 3.26Å; T394-E421 PolarHBondContact OG1-OE1 3.35Å; T394-E421 PolarHBondContact OG1-OE2 3.46Å
395T97.6Very high95.5Very high28 Ų2847.3 Ų47.317%0.17227%0.268CS..SBendtrans-60.1119.3173.5-58.30000111.5A393 N414 L417 E421 M432A393-T395 VanDerWaalsContact C-N 3.32Å; T395-N414 WeakPolarHBondContact CG2-ND2 3.29Å; T395-L417 HydrophobicContact CG2-CB 4.27Å; T395-E421 VanDerWaalsContact CB-OE1 3.26Å; T395-E421 WeakPolarHBondContact CB-OE1 3.33Å; T395-E421 PolarHBondContact N-OE1 2.88Å; T395-E421 PolarHBondContact OG1-OE1 3.45Å; T395-M432 HydrophobicContact CG2-CE 3.99Å
396R96.7Very high95.7Very high113 Ų11345.5 Ų45.543%0.42626%0.255SS..PPolyproline II helixtrans-79.7146.7177.2-65.9-63.4-178.3-97.66.1111.8T394 N414 L433 D434T394-R396 PolarHBondContact O-N 3.38Å; T394-R396 PolarHBondContact O-NH1 2.8Å; R396-N414 PolarHBondContact O-ND2 2.72Å; R396-L433 WeakPolarHBondContact CD-O 3.4Å; R396-D434 WeakPolarHBondContact CD-O 3.2Å
397R96.8Very high95.9Very high19 Ų1945 Ų457%0.07224%0.243CC..PPolyproline II helixtrans-74.5141.5177.2-16858.8179142.2-6.3111.1S399 S405 N414 N415 M432 L433 E441 Y462R397-S399 PolarHBondContact O-N 2.68Å; R397-S405 PolarHBondContact NE-OG 3.14Å; R397-N414 PolarHBondContact NH1-OD1 2.96Å; R397-N415 VanDerWaalsContact NH1-CG 3.31Å; R397-N415 PolarHBondContact NH1-ND2 3.16Å; R397-N415 PolarHBondContact NH1-OD1 3.36Å; R397-N415 PolarHBondContact NH2-ND2 3.21Å; R397-M432 HydrophobicContact CB-CB 4.1Å; R397-M432 HydrophobicContact CB-CE 4.36Å; R397-L433 PolarHBondContact N-O 3.39Å; R397-E441 IonicContact CZ-OE1 3.53Å; R397-E441 IonicContact NE-OE1 2.76Å; R397-E441 PolarHBondContact NE-OE1 2.91Å; R397-E441 IonicContact NH2-OE1 2.78Å; R397-E441 PolarHBondContact NH2-OE1 3.46Å; R397-Y462 WeakPolarHBondContact CG-O 3.45Å
398N95Very high96Very high33 Ų3345 Ų4518%0.17624%0.239CC..PPolyproline II helixtrans-61.2130.4179.2-73-12.1000111.5N402 L403 S405N398-N402 HydrophobicContact CB-CB 4.46Å; N398-L403 VanDerWaalsContact CB-O 3.24Å; N398-L403 WeakPolarHBondContact CB-O 3.45Å; N398-S405 PolarHBondContact O-OG 2.93Å
399S93.1Very high96Very high7 Ų745.1 Ų45.15%0.04924%0.239CC..PPolyproline II helixtrans-87.2167.6171.279.70000111.4R397 N401 N402R397-S399 PolarHBondContact O-N 2.68Å; S399-N401 PolarHBondContact O-N 2.88Å; S399-N401 VanDerWaalsContact O-N 3.1Å; S399-N401 VanDerWaalsContact OG-CB 3.31Å; S399-N401 WeakPolarHBondContact OG-CB 3.5Å; S399-N401 PolarHBondContact OG-N 2.88Å; S399-N402 PolarHBondContact O-N 3.04Å; S399-N402 PolarHBondContact OG-OD1 2.86Å
400P94.2Very high95.9Very high64 Ų6445.2 Ų45.242%0.41624%0.238SC..THydrogen-bonded Turntrans-57.8-16.4166.4-26.236000115.1N402P400-N402 PolarHBondContact O-N 3.07Å
401N92.9Very high95.8Very high141 Ų14148 Ų4875%0.75425%0.253SS*.THydrogen-bonded Turntrans-75.4-8.6171.9-63-28.1000113.1S399S399-N401 PolarHBondContact O-N 2.88Å; S399-N401 VanDerWaalsContact O-N 3.1Å; S399-N401 VanDerWaalsContact OG-CB 3.31Å; S399-N401 WeakPolarHBondContact OG-CB 3.5Å; S399-N401 PolarHBondContact OG-N 2.88Å
402N92.3Very high95.7Very high112 Ų11248.7 Ų48.760%0.59926%0.256SS*.SBendtrans-115.9-132.6177.2-58.4103.6000108.6N398 S399 P400N398-N402 HydrophobicContact CB-CB 4.46Å; S399-N402 PolarHBondContact O-N 3.04Å; S399-N402 PolarHBondContact OG-OD1 2.86Å; P400-N402 PolarHBondContact O-N 3.07Å
403L93.6Very high95.6Very high52 Ų5253.5 Ų53.527%0.27228%0.28SS..SBendtrans-87.7108.2167.4-17861.6000108.6N398 S405 H409 N411N398-L403 VanDerWaalsContact CB-O 3.24Å; N398-L403 WeakPolarHBondContact CB-O 3.45Å; L403-S405 PolarHBondContact O-N 3.34Å; L403-H409 VanDerWaalsContact CD2-CE1 3.41Å; L403-H409 WeakPolarHBondContact CD2-CE1 3.41Å; L403-H409 VanDerWaalsContact CD2-NE2 3.28Å; L403-H409 WeakPolarHBondContact CD2-NE2 3.38Å; L403-H409 WeakPolarHBondContact CG-NE2 3.37Å; L403-N411 HydrophobicContact CD2-CB 3.5Å
404D95.5Very high95.5Very high40 Ų4054.6 Ų54.621%0.21429%0.285CS..  trans-61122.1-174.9-167.2-23.2000111.7K406 I407D404-K406 PolarHBondContact O-N 2.96Å; D404-K406 VanDerWaalsContact O-N 3.11Å; D404-K406 WeakPolarHBondContact OD1-CB 3.35Å; D404-K406 WeakPolarHBondContact OD1-CG 3.25Å; D404-K406 PolarHBondContact OD1-N 2.65Å; D404-K406 IonicContact OD1-NZ 2.71Å; D404-I407 PolarHBondContact O-N 3.5Å
405S93.2Very high95.5Very high3 Ų350 Ų502%0.02126%0.257CS..THydrogen-bonded Turntrans-63.7-12.4179.3-57.70000113.8R397 N398 L403 I407 Y462 L464R397-S405 PolarHBondContact NE-OG 3.14Å; N398-S405 PolarHBondContact O-OG 2.93Å; L403-S405 PolarHBondContact O-N 3.34Å; S405-I407 VanDerWaalsContact C-N 3.25Å; S405-I407 PolarHBondContact O-N 3.06Å; S405-Y462 PolarHBondContact OG-O 3.39Å; S405-L464 WeakPolarHBondContact O-CA 3.46Å; S405-L464 WeakPolarHBondContact O-CB 3.17Å; S405-L464 WeakPolarHBondContact O-CD1 3.26Å
406K94.9Very high95.5Very high80 Ų8052.8 Ų52.835%0.34827%0.27SS..THydrogen-bonded Turntrans-68.4-25.4171.8-69.1174.7-175.965.30112.7D404 A460 D461D404-K406 PolarHBondContact O-N 2.96Å; D404-K406 VanDerWaalsContact O-N 3.11Å; D404-K406 WeakPolarHBondContact OD1-CB 3.35Å; D404-K406 WeakPolarHBondContact OD1-CG 3.25Å; D404-K406 PolarHBondContact OD1-N 2.65Å; D404-K406 IonicContact OD1-NZ 2.71Å; K406-A460 WeakPolarHBondContact CE-O 3.44Å; K406-A460 PolarHBondContact NZ-O 2.92Å; K406-D461 PolarHBondContact NZ-O 3.47Å; K406-D461 VanDerWaalsContact NZ-O 3.1Å
407I96.9Very high95.6Very high27 Ų2752 Ų5214%0.13827%0.273CS..SBendtrans-79.2121.1171.3-53.4175.3000107.1V288 A315 L316 D404 S405 H409V288-I407 HydrophobicContact CG1-CG2 4.36Å; A315-I407 HydrophobicContact CB-CD1 3.93Å; A315-I407 HydrophobicContact CB-CG1 3.96Å; L316-I407 HydrophobicContact CD1-CG2 4.13Å; L316-I407 HydrophobicContact CD2-CD1 3.96Å; L316-I407 HydrophobicContact CD2-CG2 4.2Å; L316-I407 HydrophobicContact CG-CG2 3.93Å; D404-I407 PolarHBondContact O-N 3.5Å; S405-I407 VanDerWaalsContact C-N 3.25Å; S405-I407 PolarHBondContact O-N 3.06Å; I407-H409 HydrophobicContact CG2-CB 4.06Å; I407-H409 PolarHBondContact O-CD2 3.09Å; I407-H409 PolarHBondContact O-N 3.42Å
408H97.4Very high95.7Very high15 Ų1551 Ų517%0.06927%0.27CS..  trans-79.969.1179.7-153.2-65.9000111.6V288 W289 E290 R308 S312 L464V288-H408 CarbonylContact C-O 3.55Å; V288-H408 VanDerWaalsContact CA-O 3.26Å; V288-H408 WeakPolarHBondContact CA-O 3.49Å; W289-H408 AromaticContact CD1-ND1 3.46Å; W289-H408 AromaticContact CD2-CE1 3.24Å; W289-H408 AromaticContact CD2-ND1 3.34Å; W289-H408 VanDerWaalsContact CD2-ND1 3.34Å; W289-H408 AromaticContact CE2-CE1 3.06Å; W289-H408 AromaticContact CE2-ND1 3.18Å; W289-H408 AromaticContact CE3-CE1 3.46Å; W289-H408 VanDerWaalsContact CE3-CE1 3.46Å; W289-H408 AromaticContact CE3-ND1 3.98Å; W289-H408 AromaticContact CG-CE1 4Å; W289-H408 AromaticContact CG-ND1 3.59Å; W289-H408 AromaticContact CH2-CE1 3.39Å; W289-H408 WeakPolarHBondContact CH2-CE1 3.49Å; W289-H408 AromaticContact CZ2-CE1 3.17Å; W289-H408 WeakPolarHBondContact CZ2-CE1 3.3Å; W289-H408 AromaticContact CZ2-ND1 3.75Å; W289-H408 AromaticContact CZ3-CE1 3.53Å; W289-H408 PolarHBondContact N-O 3.06Å; W289-H408 AromaticContact NE1-CE1 3.62Å; W289-H408 AromaticContact NE1-ND1 3.22Å; W289-H408 PolarHBondContact NE1-ND1 2.94Å; W289-H408 PolarHBondContact O-CE1 3.01Å; W289-H408 PolarHBondContact O-ND1 3.22Å; E290-H408 IonicContact OE1-CD2 2.79Å; R308-H408 PolarHBondContact NH2-CD2 3.21Å; R308-H408 PolarHBondContact NH2-NE2 2.93Å; S312-H408 PolarHBondContact OG-N 3.33Å; H408-L464 HydrophobicContact CB-CD1 4.09Å; H408-L464 WeakPolarHBondContact CD2-CD2 3.45Å; H408-L464 VanDerWaalsContact NE2-CD2 3.3Å; H408-L464 WeakPolarHBondContact NE2-CD2 3.37Å
409H96.4Very high95.8Very high6 Ų652.4 Ų52.43%0.02827%0.274CS..BIsolated β-bridgetrans-95.4163.5-167.962.561.7000114.2S287 W289 L403 I407 N411S287-H409 CarbonylContact O-C 3.41Å; S287-H409 WeakPolarHBondContact O-CA 3.37Å; W289-H409 PolarHBondContact NE1-O 3.23Å; L403-H409 VanDerWaalsContact CD2-CE1 3.41Å; L403-H409 WeakPolarHBondContact CD2-CE1 3.41Å; L403-H409 VanDerWaalsContact CD2-NE2 3.28Å; L403-H409 WeakPolarHBondContact CD2-NE2 3.38Å; L403-H409 WeakPolarHBondContact CG-NE2 3.37Å; I407-H409 HydrophobicContact CG2-CB 4.06Å; I407-H409 PolarHBondContact O-CD2 3.09Å; I407-H409 PolarHBondContact O-N 3.42Å; H409-N411 PolarHBondContact CE1-O 3.38Å; H409-N411 PolarHBondContact ND1-N 3.21Å; H409-N411 VanDerWaalsContact ND1-N 3.16Å
410N96.1Very high96.1Very high40 Ų4055.9 Ų55.921%0.21429%0.291CS..SBendtrans-82-5.2177.5-79.540.3000115.1S287 L412S287-N410 PolarHBondContact O-N 3.22Å; N410-L412 PolarHBondContact O-N 3.18Å
411N96Very high96.3Very high60 Ų6054.9 Ų54.932%0.32128%0.281SS..  trans-74.968.7177.3-65-62.3000112.9G284 G285 L403 H409G284-N411 PolarHBondContact O-OD1 2.8Å; G285-N411 PolarHBondContact O-ND2 3.42Å; L403-N411 HydrophobicContact CD2-CB 3.5Å; H409-N411 PolarHBondContact CE1-O 3.38Å; H409-N411 PolarHBondContact ND1-N 3.21Å; H409-N411 VanDerWaalsContact ND1-N 3.16Å
412L95.7Very high96.6Very high45 Ų4548.2 Ų48.224%0.23625%0.245CC..  trans-91.910.1-171-65.9171.7000114.5W289 N410 N414 N415 I416W289-L412 HydrophobicContact CZ2-CD1 4.26Å; N410-L412 PolarHBondContact O-N 3.18Å; L412-N414 VanDerWaalsContact C-N 3.26Å; L412-N414 PolarHBondContact O-N 2.99Å; L412-N415 WeakPolarHBondContact O-CB 3.34Å; L412-N415 PolarHBondContact O-N 3.23Å; L412-I416 HydrophobicContact CB-CD1 4.27Å; L412-I416 WeakPolarHBondContact O-CG1 3.06Å; L412-I416 PolarHBondContact O-N 3.44Å
413L96.8Very high96.9Very high128 Ų12846.8 Ų46.867%0.6724%0.238SC*.Hα-helixtrans-58.8-37.5-179.2-68.7178.4000112.5N415 I416 L417L413-N415 VanDerWaalsContact C-N 3.3Å; L413-N415 PolarHBondContact O-N 3.02Å; L413-I416 HydrophobicContact CD2-CD1 4.4Å; L413-I416 PolarHBondContact O-N 2.87Å; L413-L417 VanDerWaalsContact O-CG 3.28Å; L413-L417 WeakPolarHBondContact O-CG 3.17Å; L413-L417 PolarHBondContact O-N 3.33Å
414N96.6Very high97.1Very high24 Ų2450.4 Ų50.413%0.12826%0.257CS..Hα-helixtrans-56.4-44.4173.2176.3-113.9000111.9T395 R396 R397 L412 A418 M432T395-N414 WeakPolarHBondContact CG2-ND2 3.29Å; R396-N414 PolarHBondContact O-ND2 2.72Å; R397-N414 PolarHBondContact NH1-OD1 2.96Å; L412-N414 VanDerWaalsContact C-N 3.26Å; L412-N414 PolarHBondContact O-N 2.99Å; N414-A418 PolarHBondContact O-N 2.75Å; N414-M432 WeakPolarHBondContact OD1-CE 3.43Å
415N97.4Very high97.2Very high13 Ų1350.7 Ų50.77%0.0727%0.266CS..Hα-helixtrans-70.5-41.5177.5-6077.2000112.1R397 L412 L413 L417 A418 K419 N443R397-N415 VanDerWaalsContact NH1-CG 3.31Å; R397-N415 PolarHBondContact NH1-ND2 3.16Å; R397-N415 PolarHBondContact NH1-OD1 3.36Å; R397-N415 PolarHBondContact NH2-ND2 3.21Å; L412-N415 WeakPolarHBondContact O-CB 3.34Å; L412-N415 PolarHBondContact O-N 3.23Å; L413-N415 VanDerWaalsContact C-N 3.3Å; L413-N415 PolarHBondContact O-N 3.02Å; N415-L417 VanDerWaalsContact C-N 3.33Å; N415-L417 PolarHBondContact O-N 3.41Å; N415-A418 PolarHBondContact O-N 2.62Å; N415-K419 PolarHBondContact O-N 3.06Å; N415-N443 HydrophobicContact CB-CB 4.4Å; N415-N443 WeakPolarHBondContact CB-O 3.37Å; N415-N443 PolarHBondContact ND2-O 3.36Å; N415-N443 WeakPolarHBondContact O-CB 3.27Å
416I98.3Very high97.4Very high87 Ų8757.8 Ų57.845%0.44630%0.303SS..Hα-helixtrans-64.7-38.1-179.7-68.8161.7000111L412 L413 K419 I420L412-I416 HydrophobicContact CB-CD1 4.27Å; L412-I416 WeakPolarHBondContact O-CG1 3.06Å; L412-I416 PolarHBondContact O-N 3.44Å; L413-I416 HydrophobicContact CD2-CD1 4.4Å; L413-I416 PolarHBondContact O-N 2.87Å; I416-K419 WeakPolarHBondContact O-CB 3.47Å; I416-K419 PolarHBondContact O-N 2.97Å; I416-K419 VanDerWaalsContact O-N 3.15Å; I416-I420 HydrophobicContact CG2-CD1 4.1Å; I416-I420 HydrophobicContact CG2-CG1 4.49Å; I416-I420 WeakPolarHBondContact O-CG1 3.3Å; I416-I420 PolarHBondContact O-N 3.08Å
417L98.5Very high97.6Very high95 Ų9555.4 Ų55.450%0.49730%0.295SS..Hα-helixtrans-59.9-46.3174.8-72.6170.6000111.5T395 L413 N415 K419 I420 E421T395-L417 HydrophobicContact CG2-CB 4.27Å; L413-L417 VanDerWaalsContact O-CG 3.28Å; L413-L417 WeakPolarHBondContact O-CG 3.17Å; L413-L417 PolarHBondContact O-N 3.33Å; N415-L417 VanDerWaalsContact C-N 3.33Å; N415-L417 PolarHBondContact O-N 3.41Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 2.82Å; L417-I420 WeakPolarHBondContact O-CB 3.45Å; L417-I420 PolarHBondContact O-N 2.86Å; L417-E421 PolarHBondContact O-N 3.49Å
418A98.4Very high97.6Very high0 Ų057.3 Ų57.30%031%0.306CS..Hα-helixtrans-61.9-38173.600000112.2A393 N414 N415 I420 E421 S422 A430 M432 N443A393-A418 HydrophobicContact CB-CB 3.74Å; N414-A418 PolarHBondContact O-N 2.75Å; N415-A418 PolarHBondContact O-N 2.62Å; A418-I420 VanDerWaalsContact C-N 3.34Å; A418-I420 PolarHBondContact O-N 3.11Å; A418-E421 WeakPolarHBondContact O-CB 3.14Å; A418-E421 PolarHBondContact O-N 3.14Å; A418-S422 PolarHBondContact O-N 3.11Å; A418-S422 VanDerWaalsContact O-N 3.16Å; A418-A430 HydrophobicContact CB-CB 4.22Å; A418-A430 VanDerWaalsContact O-CB 3.25Å; A418-A430 WeakPolarHBondContact O-CB 3.39Å; A418-M432 HydrophobicContact CB-CE 3.9Å; A418-M432 HydrophobicContact CB-CG 3.86Å; A418-M432 HydrophobicContact CB-SD 3.78Å; A418-N443 HydrophobicContact CB-CB 3.91Å
419K98.5Very high97.6Very high62 Ų6256.7 Ų56.727%0.2730%0.303SS..Hα-helixtrans-64.3-36.3175.1-177.354.6-175.9155.70112.8N415 I416 L417 E421 S422 N423 D428N415-K419 PolarHBondContact O-N 3.06Å; I416-K419 WeakPolarHBondContact O-CB 3.47Å; I416-K419 PolarHBondContact O-N 2.97Å; I416-K419 VanDerWaalsContact O-N 3.15Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 2.82Å; K419-E421 VanDerWaalsContact C-N 3.31Å; K419-E421 PolarHBondContact O-N 3.14Å; K419-S422 PolarHBondContact NZ-OG 3.44Å; K419-S422 VanDerWaalsContact NZ-OG 3.07Å; K419-S422 PolarHBondContact O-N 2.68Å; K419-S422 PolarHBondContact O-OG 2.81Å; K419-N423 WeakPolarHBondContact CE-OD1 3.21Å; K419-N423 PolarHBondContact NZ-OD1 2.95Å; K419-N423 VanDerWaalsContact NZ-OD1 3.08Å; K419-N423 PolarHBondContact O-N 3.06Å; K419-N423 PolarHBondContact O-ND2 3.37Å; K419-N423 PolarHBondContact O-OD1 3.38Å; K419-D428 PolarHBondContact NZ-O 3.03Å
420I98.7Very high97.6Very high79 Ų7956.4 Ų56.441%0.40530%0.302SS..Hα-helixtrans-63.2-39.6174.6-69.2164000110.7I416 L417 A418 S422 N423 N424I416-I420 HydrophobicContact CG2-CD1 4.1Å; I416-I420 HydrophobicContact CG2-CG1 4.49Å; I416-I420 WeakPolarHBondContact O-CG1 3.3Å; I416-I420 PolarHBondContact O-N 3.08Å; L417-I420 WeakPolarHBondContact O-CB 3.45Å; L417-I420 PolarHBondContact O-N 2.86Å; A418-I420 VanDerWaalsContact C-N 3.34Å; A418-I420 PolarHBondContact O-N 3.11Å; I420-S422 VanDerWaalsContact C-N 3.34Å; I420-S422 PolarHBondContact O-N 3.36Å; I420-N423 PolarHBondContact O-N 3.41Å; I420-N424 PolarHBondContact O-N 3.28Å; I420-N424 PolarHBondContact O-ND2 2.96Å
421E98.7Very high97.8Very high44 Ų4454.5 Ų54.521%0.20629%0.291CS..Hα-helixtrans-60.4-43.5174.4-62.3-179.4-115.600111.5T394 T395 L417 A418 K419 N424 A425T394-E421 WeakPolarHBondContact CB-OE2 3.45Å; T394-E421 PolarHBondContact N-OE2 3.04Å; T394-E421 VanDerWaalsContact OG1-CD 3.26Å; T394-E421 PolarHBondContact OG1-OE1 3.35Å; T394-E421 PolarHBondContact OG1-OE2 3.46Å; T395-E421 VanDerWaalsContact CB-OE1 3.26Å; T395-E421 WeakPolarHBondContact CB-OE1 3.33Å; T395-E421 PolarHBondContact N-OE1 2.88Å; T395-E421 PolarHBondContact OG1-OE1 3.45Å; L417-E421 PolarHBondContact O-N 3.49Å; A418-E421 WeakPolarHBondContact O-CB 3.14Å; A418-E421 PolarHBondContact O-N 3.14Å; K419-E421 VanDerWaalsContact C-N 3.31Å; K419-E421 PolarHBondContact O-N 3.14Å; E421-N424 PolarHBondContact O-N 2.97Å; E421-A425 PolarHBondContact O-N 3.2Å
422S98.4Very high97.9Very high0 Ų051.6 Ų51.60%028%0.276CS..Hα-helixtrans-61.8-43.1175.1116.50000112.4A418 K419 I420 N424 A425 N426 V427A418-S422 PolarHBondContact O-N 3.11Å; A418-S422 VanDerWaalsContact O-N 3.16Å; K419-S422 PolarHBondContact NZ-OG 3.44Å; K419-S422 VanDerWaalsContact NZ-OG 3.07Å; K419-S422 PolarHBondContact O-N 2.68Å; K419-S422 PolarHBondContact O-OG 2.81Å; I420-S422 VanDerWaalsContact C-N 3.34Å; I420-S422 PolarHBondContact O-N 3.36Å; S422-N424 VanDerWaalsContact C-N 3.35Å; S422-N424 PolarHBondContact O-N 2.79Å; S422-A425 CarbonylContact O-C 3.48Å; S422-A425 PolarHBondContact O-N 3.48Å; S422-N426 PolarHBondContact O-N 3.21Å; S422-N426 VanDerWaalsContact O-N 3.08Å; S422-V427 PolarHBondContact O-N 3.04Å; S422-V427 PolarHBondContact OG-O 3.24Å
423N98.3Very high98Very high82 Ų8250 Ų5044%0.43927%0.268SS..Hα-helixtrans-62.6-42.8178.1-66.7-15.6000111.2K419 I420 A425 N426K419-N423 WeakPolarHBondContact CE-OD1 3.21Å; K419-N423 PolarHBondContact NZ-OD1 2.95Å; K419-N423 VanDerWaalsContact NZ-OD1 3.08Å; K419-N423 PolarHBondContact O-N 3.06Å; K419-N423 PolarHBondContact O-ND2 3.37Å; K419-N423 PolarHBondContact O-OD1 3.38Å; I420-N423 PolarHBondContact O-N 3.41Å; N423-A425 VanDerWaalsContact C-N 3.26Å; N423-A425 PolarHBondContact O-N 2.93Å; N423-N426 WeakPolarHBondContact O-CA 3.14Å; N423-N426 PolarHBondContact O-N 3.24Å
424N98.5Very high98Very high128 Ų12844.3 Ų44.368%0.68424%0.238SC*.Hα-helixtrans-66.4-29.6177.2-71.3-19.6000112.7I420 E421 S422 N426I420-N424 PolarHBondContact O-N 3.28Å; I420-N424 PolarHBondContact O-ND2 2.96Å; E421-N424 PolarHBondContact O-N 2.97Å; S422-N424 VanDerWaalsContact C-N 3.35Å; S422-N424 PolarHBondContact O-N 2.79Å; N424-N426 VanDerWaalsContact C-N 3.26Å
425A97.9Very high97.9Very high47 Ų4748.8 Ų48.839%0.38826%0.256SS..THydrogen-bonded Turntrans-80.5-4.417200000113.4V391 E421 S422 N423 V427V391-A425 HydrophobicContact CB-CB 4.33Å; V391-A425 HydrophobicContact CG1-CB 4.11Å; V391-A425 HydrophobicContact CG2-CB 4.34Å; E421-A425 PolarHBondContact O-N 3.2Å; S422-A425 CarbonylContact O-C 3.48Å; S422-A425 PolarHBondContact O-N 3.48Å; N423-A425 VanDerWaalsContact C-N 3.26Å; N423-A425 PolarHBondContact O-N 2.93Å; A425-V427 HydrophobicContact CB-CG2 4.16Å
426N97.9Very high97.8Very high151 Ų15152 Ų5281%0.80727%0.273SS*.THydrogen-bonded Turntrans5645.3-174.5-57.5-69.6000113.3S422 N423 N424S422-N426 PolarHBondContact O-N 3.21Å; S422-N426 VanDerWaalsContact O-N 3.08Å; N423-N426 WeakPolarHBondContact O-CA 3.14Å; N423-N426 PolarHBondContact O-N 3.24Å; N424-N426 VanDerWaalsContact C-N 3.26Å
427V97.6Very high97.8Very high30 Ų3049.2 Ų49.218%0.18227%0.266CS..  trans-130164177.1-55.70000112.1V389 V391 S422 A425V389-V427 HydrophobicContact CB-CB 4.23Å; V389-V427 HydrophobicContact CB-CG1 4.26Å; V389-V427 HydrophobicContact CG1-CB 4.01Å; V389-V427 HydrophobicContact CG1-CG1 3.6Å; V391-V427 HydrophobicContact CB-CG2 3.77Å; V391-V427 HydrophobicContact CG1-CG2 3.57Å; S422-V427 PolarHBondContact O-N 3.04Å; S422-V427 PolarHBondContact OG-O 3.24Å; A425-V427 HydrophobicContact CB-CG2 4.16Å
428D97.1Very high97.8Very high67 Ų6747.7 Ų47.736%0.35826%0.256SS..SBendtrans-69.5-39.6-165.2-58.8-73.9000114.7Y382 I388 V389 K419Y382-D428 HydrophobicContact CE1-CB 4.34Å; I388-D428 HydrophobicContact CB-CB 3.86Å; I388-D428 HydrophobicContact CG2-CB 4.27Å; V389-D428 PolarHBondContact N-OD2 3.41Å; V389-D428 WeakPolarHBondContact O-CB 3.37Å; V389-D428 PolarHBondContact O-N 3.34Å; K419-D428 PolarHBondContact NZ-O 3.03Å
429D96.8Very high97.8Very high2 Ų247.9 Ų47.91%0.01126%0.257CS..EExtended strand (participates in β ladder)trans-156.2170.4-179.4-138.633.9000111.4L390 V391 T442 N443L390-D429 WeakPolarHBondContact CA-O 3.04Å; L390-D429 HydrophobicContact CD2-CB 3.54Å; L390-D429 WeakPolarHBondContact CD2-O 3.38Å; V391-D429 PolarHBondContact N-O 3.49Å; D429-T442 VanDerWaalsContact OD2-CB 3.25Å; D429-T442 WeakPolarHBondContact OD2-CB 3.48Å; D429-T442 PolarHBondContact OD2-OG1 3.06Å; D429-N443 PolarHBondContact OD1-ND2 3.29Å; D429-N443 PolarHBondContact OD1-OD1 3.31Å; D429-N443 PolarHBondContact OD2-OD1 3.4Å
430A98.4Very high97.7Very high0 Ų045.2 Ų45.20%025%0.246CC..EExtended strand (participates in β ladder)trans-118.3128.9-17800000113.3V391 A393 A418 T442 N443V391-A430 HydrophobicContact CG1-CB 4.36Å; V391-A430 CarbonylContact O-C 3.6Å; V391-A430 WeakPolarHBondContact O-CA 3.44Å; A393-A430 HydrophobicContact CB-CB 3.97Å; A418-A430 HydrophobicContact CB-CB 4.22Å; A418-A430 VanDerWaalsContact O-CB 3.25Å; A418-A430 WeakPolarHBondContact O-CB 3.39Å; A430-T442 CarbonylContact O-C 3.49Å; A430-T442 WeakPolarHBondContact O-CA 3.49Å; A430-T442 VanDerWaalsContact O-CB 3.28Å; A430-T442 WeakPolarHBondContact O-CB 3.32Å; A430-N443 PolarHBondContact N-OD1 2.92Å; A430-N443 PolarHBondContact O-N 3.41Å; A430-N443 PolarHBondContact O-OD1 2.62Å
431I98.7Very high97.7Very high0 Ų041.8 Ų41.80%023%0.228CC..EExtended strand (participates in β ladder)trans-72.3126.6168.8-61.3175.1000108.8L390 V391 A393 L433 V439 I447 L490 I514L390-I431 HydrophobicContact CB-CD1 4.18Å; L390-I431 HydrophobicContact CB-CG1 4.08Å; L390-I431 HydrophobicContact CD1-CD1 3.97Å; L390-I431 HydrophobicContact CD1-CG1 3.74Å; V391-I431 PolarHBondContact O-N 3.3Å; A393-I431 PolarHBondContact N-O 2.84Å; I431-L433 HydrophobicContact CG2-CD2 4.26Å; I431-V439 HydrophobicContact CG2-CG1 3.85Å; I431-V439 HydrophobicContact CG2-CG2 4.17Å; I431-I447 HydrophobicContact CD1-CD1 4.14Å; I431-I447 HydrophobicContact CG1-CD1 4.22Å; I431-L490 HydrophobicContact CD1-CD1 4.47Å; I431-I514 HydrophobicContact CD1-CD1 3.99Å; I431-I514 HydrophobicContact CD1-CG1 4.26Å; I431-I514 HydrophobicContact CD1-CG2 3.56Å
432M98.6Very high97.6Very high0 Ų039.7 Ų39.70%022%0.218CC..EExtended strand (participates in β ladder)trans-104133.2175.6-57-174.972.800110.1T395 R397 N414 A418 S440 E441 N443T395-M432 HydrophobicContact CG2-CE 3.99Å; R397-M432 HydrophobicContact CB-CB 4.1Å; R397-M432 HydrophobicContact CB-CE 4.36Å; N414-M432 WeakPolarHBondContact OD1-CE 3.43Å; A418-M432 HydrophobicContact CB-CE 3.9Å; A418-M432 HydrophobicContact CB-CG 3.86Å; A418-M432 HydrophobicContact CB-SD 3.78Å; M432-S440 WeakPolarHBondContact O-CB 3.42Å; M432-S440 PolarHBondContact O-N 3.34Å; M432-E441 PolarHBondContact N-O 3.35Å; M432-N443 HydrophobicContact SD-CB 4.02Å
433L98.2Very high97.5Very high12 Ų1240.3 Ų40.36%0.06322%0.222CC..EExtended strand (participates in β ladder)trans-95.6152.4176.9-53-177.3000111.4T392 R396 R397 I431 F438 V439 L490T392-L433 HydrophobicContact CG2-CD1 3.95Å; T392-L433 HydrophobicContact CG2-CD2 4.25Å; T392-L433 HydrophobicContact CG2-CG 3.94Å; R396-L433 WeakPolarHBondContact CD-O 3.4Å; R397-L433 PolarHBondContact N-O 3.39Å; I431-L433 HydrophobicContact CG2-CD2 4.26Å; L433-F438 CarbonylContact C-O 3.51Å; L433-F438 VanDerWaalsContact CA-O 3.25Å; L433-F438 WeakPolarHBondContact CA-O 3.42Å; L433-V439 HydrophobicContact CD2-CB 4.41Å; L433-V439 HydrophobicContact CD2-CG2 3.78Å; L433-L490 HydrophobicContact CD2-CB 4.5Å
434D96.6Very high97.4Very high8 Ų839.7 Ų39.74%0.04323%0.228CC..  trans-73.2176.4167.778.511.4000111.9R396 D436 G437 F438 Y462 R487R396-D434 WeakPolarHBondContact CD-O 3.2Å; D434-D436 PolarHBondContact O-N 2.91Å; D434-D436 WeakPolarHBondContact OD1-CA 3.36Å; D434-D436 PolarHBondContact OD1-N 3.48Å; D434-G437 PolarHBondContact O-N 3.45Å; D434-G437 VanDerWaalsContact O-N 3.11Å; D434-G437 PolarHBondContact OD1-N 2.94Å; D434-F438 PolarHBondContact N-O 3.33Å; D434-F438 PolarHBondContact OD1-N 3.23Å; D434-Y462 HydrophobicContact CB-CD1 3.62Å; D434-Y462 HydrophobicContact CB-CD2 3.85Å; D434-Y462 HydrophobicContact CB-CE1 3.99Å; D434-Y462 HydrophobicContact CB-CE2 4.31Å; D434-Y462 HydrophobicContact CB-CG 3.57Å; D434-R487 IonicContact OD1-NH2 2.74Å; D434-R487 IonicContact OD2-CZ 3.7Å; D434-R487 IonicContact OD2-NE 3.82Å; D434-R487 IonicContact OD2-NH2 3.81Å; D434-R487 PolarHBondContact OD2-NH2 3.21Å
435K94.8Very high97.3Very high118 Ų11834 Ų3451%0.51320%0.198SC..THydrogen-bonded Turntrans-61.8-24.1-178.770.5172.8-177.865.90114.1Y462K435-Y462 HydrophobicContact CB-CE1 4.23Å; K435-Y462 HydrophobicContact CD-CE1 4.42Å; K435-Y462 VanDerWaalsContact CD-OH 3.23Å; K435-Y462 WeakPolarHBondContact CD-OH 3.45Å; K435-Y462 WeakPolarHBondContact CE-OH 3.44Å; K435-Y462 HydrophobicContact CG-CE1 3.96Å; K435-Y462 WeakPolarHBondContact CG-OH 3.46Å
436D95.9Very high97.3Very high80 Ų8032.2 Ų32.243%0.42818%0.181SC..THydrogen-bonded Turntrans-97.20.2-178.3-58.3-39.3000111.5D434 F438 R487D434-D436 PolarHBondContact O-N 2.91Å; D434-D436 WeakPolarHBondContact OD1-CA 3.36Å; D434-D436 PolarHBondContact OD1-N 3.48Å; D436-F438 HydrophobicContact CB-CD2 3.95Å; D436-F438 HydrophobicContact CB-CE2 4.13Å; D436-R487 IonicContact OD2-CZ 3.48Å; D436-R487 IonicContact OD2-NH1 3.29Å; D436-R487 PolarHBondContact OD2-NH1 3.42Å; D436-R487 IonicContact OD2-NH2 3.99Å; D436-R487 PolarHBondContact OD2-NH2 2.84Å
437G97.1Very high97.3Very high29 Ų2925 Ų2530%0.29914%0.143SC..SBendtrans88.710.5176.900000115.1D434D434-G437 PolarHBondContact O-N 3.45Å; D434-G437 VanDerWaalsContact O-N 3.11Å; D434-G437 PolarHBondContact OD1-N 2.94Å
438F98.2Very high97.4Very high63 Ų6323.6 Ų23.628%0.27614%0.135SC..BIsolated β-bridgetrans-83154.7171.5-63.9-88.1000110.9L433 D434 D436 S440 R487L433-F438 CarbonylContact C-O 3.51Å; L433-F438 VanDerWaalsContact CA-O 3.25Å; L433-F438 WeakPolarHBondContact CA-O 3.42Å; D434-F438 PolarHBondContact N-O 3.33Å; D434-F438 PolarHBondContact OD1-N 3.23Å; D436-F438 HydrophobicContact CB-CD2 3.95Å; D436-F438 HydrophobicContact CB-CE2 4.13Å; F438-S440 PolarHBondContact O-N 3.01Å; F438-R487 HydrophobicContact CD1-CB 3.74Å; F438-R487 VanDerWaalsContact CD2-CZ 3.47Å; F438-R487 VanDerWaalsContact CD2-NE 3.33Å; F438-R487 HydrophobicContact CE1-CB 3.99Å; F438-R487 HydrophobicContact CG-CB 4.01Å; F438-R487 HydrophobicContact CZ-CB 4.48Å
439V98.4Very high97.5Very high4 Ų420.5 Ų20.52%0.02412%0.118CC..EExtended strand (participates in β ladder)trans-68.7131.8177.7174.60000109.7I431 L433 I447 P458 I488 L490 F493I431-V439 HydrophobicContact CG2-CG1 3.85Å; I431-V439 HydrophobicContact CG2-CG2 4.17Å; L433-V439 HydrophobicContact CD2-CB 4.41Å; L433-V439 HydrophobicContact CD2-CG2 3.78Å; V439-I447 HydrophobicContact CG1-CG2 3.7Å; V439-P458 HydrophobicContact CB-CG 4.41Å; V439-P458 HydrophobicContact CG1-CG 4.13Å; V439-P458 WeakPolarHBondContact O-CB 3.44Å; V439-P458 VanDerWaalsContact O-CG 3.26Å; V439-P458 WeakPolarHBondContact O-CG 3.4Å; V439-I488 PolarHBondContact N-O 2.72Å; V439-L490 HydrophobicContact CG2-CB 4.29Å; V439-L490 HydrophobicContact CG2-CD1 4.11Å; V439-F493 HydrophobicContact CB-CD2 3.81Å; V439-F493 HydrophobicContact CB-CE2 3.58Å; V439-F493 HydrophobicContact CG1-CD2 4.01Å; V439-F493 HydrophobicContact CG1-CE2 3.58Å; V439-F493 HydrophobicContact CG1-CZ 4.06Å; V439-F493 HydrophobicContact CG2-CD2 3.49Å; V439-F493 VanDerWaalsContact CG2-CD2 3.49Å; V439-F493 HydrophobicContact CG2-CE2 3.84Å; V439-F493 HydrophobicContact CG2-CG 4.34Å
440S97.6Very high97.6Very high5 Ų520.7 Ų20.74%0.03512%0.119CC..EExtended strand (participates in β ladder)trans-103.2-65.6177.7-178.60000111.1M432 F438 Y462 C463M432-S440 WeakPolarHBondContact O-CB 3.42Å; M432-S440 PolarHBondContact O-N 3.34Å; F438-S440 PolarHBondContact O-N 3.01Å; S440-Y462 VanDerWaalsContact OG-CB 3.22Å; S440-Y462 WeakPolarHBondContact OG-CB 3.21Å; S440-Y462 PolarHBondContact OG-O 3.27Å; S440-Y462 VanDerWaalsContact OG-O 3.05Å; S440-C463 PolarHBondContact OG-N 2.95Å
441E97.6Very high97.5Very high8 Ų824 Ų244%0.03713%0.133CC..EExtended strand (participates in β ladder)trans-164.1-179.8-178.657.4175.4169.300109.1R397 M432 T445 N446 C463R397-E441 IonicContact CZ-OE1 3.53Å; R397-E441 IonicContact NE-OE1 2.76Å; R397-E441 PolarHBondContact NE-OE1 2.91Å; R397-E441 IonicContact NH2-OE1 2.78Å; R397-E441 PolarHBondContact NH2-OE1 3.46Å; M432-E441 PolarHBondContact N-O 3.35Å; E441-T445 WeakPolarHBondContact CB-O 3.28Å; E441-N446 PolarHBondContact OE2-ND2 2.99Å; E441-C463 HydrophobicContact CB-CB 3.73Å; E441-C463 HydrophobicContact CG-CB 3.6Å; E441-C463 WeakPolarHBondContact OE2-CB 3.41Å
442T97.8Very high97.4Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-84.3174.8162.384.90000110.6L390 D429 A430 A444 T445 T501L390-T442 HydrophobicContact CD1-CG2 4.2Å; D429-T442 VanDerWaalsContact OD2-CB 3.25Å; D429-T442 WeakPolarHBondContact OD2-CB 3.48Å; D429-T442 PolarHBondContact OD2-OG1 3.06Å; A430-T442 CarbonylContact O-C 3.49Å; A430-T442 WeakPolarHBondContact O-CA 3.49Å; A430-T442 VanDerWaalsContact O-CB 3.28Å; A430-T442 WeakPolarHBondContact O-CB 3.32Å; T442-A444 PolarHBondContact O-N 3.47Å; T442-A444 VanDerWaalsContact O-N 3.07Å; T442-A444 PolarHBondContact OG1-N 3.26Å; T442-T445 WeakPolarHBondContact CG2-OG1 3.31Å; T442-T445 PolarHBondContact N-O 3Å; T442-T445 PolarHBondContact OG1-N 2.91Å; T442-T445 PolarHBondContact OG1-O 2.85Å; T442-T445 PolarHBondContact OG1-OG1 3.48Å; T442-T501 HydrophobicContact CG2-CG2 3.67Å
443N96.8Very high97.1Very high13 Ų1338 Ų387%0.0720%0.201CC..SBendtrans-60.5-16.2174.459.3-88.6000114.3N415 A418 D429 A430 M432N415-N443 HydrophobicContact CB-CB 4.4Å; N415-N443 WeakPolarHBondContact CB-O 3.37Å; N415-N443 PolarHBondContact ND2-O 3.36Å; N415-N443 WeakPolarHBondContact O-CB 3.27Å; A418-N443 HydrophobicContact CB-CB 3.91Å; D429-N443 PolarHBondContact OD1-ND2 3.29Å; D429-N443 PolarHBondContact OD1-OD1 3.31Å; D429-N443 PolarHBondContact OD2-OD1 3.4Å; A430-N443 PolarHBondContact N-OD1 2.92Å; A430-N443 PolarHBondContact O-N 3.41Å; A430-N443 PolarHBondContact O-OD1 2.62Å; M432-N443 HydrophobicContact SD-CB 4.02Å
444A95.1Very high97.1Very high68 Ų6842.8 Ų42.856%0.56222%0.218SC*.SBendtrans-133.3-10-178.800000115.3T442T442-A444 PolarHBondContact O-N 3.47Å; T442-A444 VanDerWaalsContact O-N 3.07Å; T442-A444 PolarHBondContact OG1-N 3.26Å
445T96.6Very high97.2Very high9 Ų942.4 Ų42.46%0.05522%0.216CC..SBendtrans-145.9151.7-167.963.40000112.4E441 T442 T501 T502E441-T445 WeakPolarHBondContact CB-O 3.28Å; T442-T445 WeakPolarHBondContact CG2-OG1 3.31Å; T442-T445 PolarHBondContact N-O 3Å; T442-T445 PolarHBondContact OG1-N 2.91Å; T442-T445 PolarHBondContact OG1-O 2.85Å; T442-T445 PolarHBondContact OG1-OG1 3.48Å; T445-T501 VanDerWaalsContact OG1-CB 3.22Å; T445-T501 WeakPolarHBondContact OG1-CB 3.29Å; T445-T501 WeakPolarHBondContact OG1-CG2 3.42Å; T445-T502 WeakPolarHBondContact CA-O 3.4Å; T445-T502 VanDerWaalsContact CB-O 3.24Å; T445-T502 WeakPolarHBondContact CB-O 3.23Å
446N98.1Very high97.3Very high9 Ų937 Ų375%0.04819%0.193CC..EExtended strand (participates in β ladder)trans-75.5160.3168.2-54.8127.4000110.4E441 L464 G466 R469 T501 T502E441-N446 PolarHBondContact OE2-ND2 2.99Å; N446-L464 PolarHBondContact ND2-O 3.46Å; N446-L464 PolarHBondContact OD1-O 3.35Å; N446-G466 VanDerWaalsContact OD1-CA 3.3Å; N446-G466 WeakPolarHBondContact OD1-CA 3.38Å; N446-G466 PolarHBondContact OD1-N 3.33Å; N446-R469 HydrophobicContact CB-CB 4.09Å; N446-R469 HydrophobicContact CB-CG 4.19Å; N446-R469 VanDerWaalsContact OD1-CB 3.3Å; N446-R469 WeakPolarHBondContact OD1-CB 3.27Å; N446-T501 CarbonylContact O-C 3.58Å; N446-T501 VanDerWaalsContact O-CA 3.24Å; N446-T501 WeakPolarHBondContact O-CA 3.25Å; N446-T502 PolarHBondContact N-O 3.14Å; N446-T502 PolarHBondContact O-N 3Å; N446-T502 PolarHBondContact O-OG1 3.26Å
447I98.4Very high97.5Very high1 Ų133.3 Ų33.31%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-128.6147.9-173.4-163.7174.6000112.3L390 I431 V439 T457 P458 F493 V499 W500 T501L390-I447 HydrophobicContact CD1-CD1 4.16Å; I431-I447 HydrophobicContact CD1-CD1 4.14Å; I431-I447 HydrophobicContact CG1-CD1 4.22Å; V439-I447 HydrophobicContact CG1-CG2 3.7Å; I447-T457 PolarHBondContact O-OG1 2.96Å; I447-P458 HydrophobicContact CG2-CG 4.12Å; I447-P458 VanDerWaalsContact O-CD 3.3Å; I447-P458 WeakPolarHBondContact O-CD 3.33Å; I447-F493 HydrophobicContact CD1-CD1 4.03Å; I447-F493 HydrophobicContact CD1-CE1 3.73Å; I447-F493 HydrophobicContact CD1-CZ 4.38Å; I447-F493 HydrophobicContact CG1-CD1 4.47Å; I447-F493 HydrophobicContact CG1-CE1 3.73Å; I447-F493 HydrophobicContact CG1-CZ 4.27Å; I447-F493 HydrophobicContact CG2-CE1 4.16Å; I447-F493 HydrophobicContact CG2-CZ 3.81Å; I447-V499 HydrophobicContact CD1-CG1 3.93Å; I447-V499 HydrophobicContact CG1-CG1 3.99Å; I447-W500 WeakPolarHBondContact CG1-O 3.47Å; I447-T501 HydrophobicContact CG1-CG2 4.3Å
448F98.7Very high97.5Very high0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-134.4154.8179.8-71.5-103.3000110.5V455 L456 T457 R469 V472 M473 V499 W500 T502F448-V455 HydrophobicContact CD1-CG1 3.91Å; F448-L456 CarbonylContact C-O 3.57Å; F448-L456 VanDerWaalsContact CA-O 3.3Å; F448-L456 WeakPolarHBondContact CA-O 3.21Å; F448-T457 HydrophobicContact CD1-CG2 4.15Å; F448-T457 HydrophobicContact CE1-CG2 3.74Å; F448-T457 HydrophobicContact CZ-CG2 4.29Å; F448-R469 HydrophobicContact CE2-CB 4.27Å; F448-R469 HydrophobicContact CE2-CG 3.8Å; F448-R469 HydrophobicContact CZ-CB 4.32Å; F448-R469 HydrophobicContact CZ-CG 3.56Å; F448-V472 HydrophobicContact CE1-CG1 4.23Å; F448-V472 HydrophobicContact CE2-CG1 4.41Å; F448-V472 HydrophobicContact CZ-CB 4.33Å; F448-V472 HydrophobicContact CZ-CG1 4.08Å; F448-M473 HydrophobicContact CE1-CG 3.99Å; F448-M473 HydrophobicContact CZ-CG 4.06Å; F448-V499 WeakPolarHBondContact O-CA 3.34Å; F448-V499 WeakPolarHBondContact O-CG1 3.25Å; F448-W500 HydrophobicContact CB-CD2 3.7Å; F448-W500 HydrophobicContact CB-CE3 4.13Å; F448-W500 HydrophobicContact CB-CG 4.3Å; F448-W500 HydrophobicContact CB-CH2 3.86Å; F448-W500 HydrophobicContact CB-CZ2 3.36Å; F448-W500 HydrophobicContact CB-CZ3 4.21Å; F448-W500 AromaticContact CD1-CZ2 3.78Å; F448-W500 HydrophobicContact CD1-CZ2 3.78Å; F448-W500 HydrophobicContact CD2-CZ2 4.44Å; F448-W500 AromaticContact CD2-NE1 3.61Å; F448-W500 AromaticContact CG-CE2 3.65Å; F448-W500 HydrophobicContact CG-CH2 4.49Å; F448-W500 AromaticContact CG-CZ2 3.64Å; F448-W500 HydrophobicContact CG-CZ2 3.64Å; F448-W500 AromaticContact CG-NE1 3.66Å; F448-W500 PolarHBondContact N-O 3.22Å; F448-W500 PolarHBondContact O-N 3.42Å; F448-W500 VanDerWaalsContact O-N 3.08Å; F448-T502 HydrophobicContact CD2-CG2 3.74Å; F448-T502 HydrophobicContact CE2-CG2 3.57Å; F448-T502 WeakPolarHBondContact CE2-OG1 3.4Å
449M98.6Very high97.4Very high2 Ų232.5 Ų32.51%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-135.5158.1170.662.8174.6-79.900111.9K451 V455 L456 I488 E492 F493 A496 E498 V499M449-K451 HydrophobicContact CE-CB 3.71Å; M449-K451 HydrophobicContact CE-CG 4.41Å; M449-V455 CarbonylContact O-C 3.56Å; M449-V455 WeakPolarHBondContact O-CA 3.2Å; M449-L456 HydrophobicContact CE-CD1 4.33Å; M449-L456 HydrophobicContact CG-CB 3.94Å; M449-L456 HydrophobicContact CG-CD1 4.14Å; M449-L456 PolarHBondContact N-O 3.47Å; M449-L456 PolarHBondContact O-N 2.96Å; M449-I488 HydrophobicContact CG-CD1 4.44Å; M449-I488 HydrophobicContact SD-CD1 4.45Å; M449-I488 HydrophobicContact SD-CG2 3.6Å; M449-I488 VanDerWaalsContact SD-CG2 3.6Å; M449-E492 HydrophobicContact CE-CB 4.33Å; M449-E492 HydrophobicContact SD-CB 4.24Å; M449-F493 HydrophobicContact CB-CD1 4.02Å; M449-F493 HydrophobicContact CB-CE1 3.74Å; M449-F493 HydrophobicContact CB-CZ 4.38Å; M449-F493 HydrophobicContact CG-CD1 4.48Å; M449-F493 HydrophobicContact CG-CE1 4.08Å; M449-F493 HydrophobicContact CG-CZ 4.23Å; M449-F493 HydrophobicContact SD-CD1 4.34Å; M449-F493 HydrophobicContact SD-CD2 4.28Å; M449-F493 HydrophobicContact SD-CE1 4.37Å; M449-F493 HydrophobicContact SD-CE2 4.34Å; M449-F493 HydrophobicContact SD-CG 4.29Å; M449-F493 HydrophobicContact SD-CZ 4.38Å; M449-A496 HydrophobicContact CB-CB 3.89Å; M449-A496 HydrophobicContact CE-CB 3.76Å; M449-A496 HydrophobicContact SD-CB 4.44Å; M449-E498 CarbonylContact C-O 3.54Å; M449-E498 VanDerWaalsContact CA-O 3.25Å; M449-E498 WeakPolarHBondContact CA-O 3.45Å; M449-V499 HydrophobicContact CB-CG2 4.04Å
450V98.7Very high97.2Very high5 Ų533.1 Ų33.13%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-109.7134.4166171.20000109.3R454 V455 D497 E498 W500 V527V450-R454 CarbonylContact C-O 3.56Å; V450-R454 VanDerWaalsContact CA-O 3.26Å; V450-R454 WeakPolarHBondContact CA-O 3.18Å; V450-V455 HydrophobicContact CG2-CG2 3.98Å; V450-D497 HydrophobicContact CG1-CB 4.45Å; V450-D497 PolarHBondContact O-N 2.9Å; V450-E498 HydrophobicContact CB-CB 3.99Å; V450-E498 HydrophobicContact CB-CG 4.26Å; V450-E498 HydrophobicContact CG2-CB 4.26Å; V450-E498 PolarHBondContact N-O 3.22Å; V450-W500 HydrophobicContact CG2-CH2 4.07Å; V450-W500 HydrophobicContact CG2-CZ3 3.61Å; V450-V527 HydrophobicContact CG1-CG2 4.34Å; V450-V527 HydrophobicContact CG2-CB 3.9Å; V450-V527 HydrophobicContact CG2-CG1 3.77Å; V450-V527 HydrophobicContact CG2-CG2 4.17Å
451K98.1Very high96.9Very high70 Ų7036.6 Ų36.630%0.30419%0.186SC..EExtended strand (participates in β ladder)trans-143.1122.9167.8-16768.3-173.9165.80110.8M449 D453 R454 L456 T495 D497M449-K451 HydrophobicContact CE-CB 3.71Å; M449-K451 HydrophobicContact CE-CG 4.41Å; K451-D453 PolarHBondContact O-N 3.47Å; K451-R454 PolarHBondContact N-O 3.35Å; K451-R454 WeakPolarHBondContact O-CB 3.47Å; K451-R454 PolarHBondContact O-N 3.12Å; K451-R454 VanDerWaalsContact O-N 3.15Å; K451-L456 HydrophobicContact CB-CD1 4.07Å; K451-T495 PolarHBondContact NZ-O 3.02Å; K451-D497 WeakPolarHBondContact CA-OD2 3.4Å; K451-D497 IonicContact NZ-OD1 2.74Å; K451-D497 PolarHBondContact NZ-OD1 2.95Å
452K94.9Very high96.6Very high167 Ų16737.5 Ų37.573%0.72619%0.189SC*.THydrogen-bonded Turntrans49.855.1179-60.3176.1179.2179.10111.8R454 D497K452-R454 PolarHBondContact O-N 2.86Å; K452-R454 VanDerWaalsContact O-N 3.11Å; K452-D497 PolarHBondContact N-OD2 3.12Å
453D92.7Very high96.4Very high128 Ų12837.6 Ų37.668%0.68419%0.19SC*.THydrogen-bonded Turntrans61.316.4178.8-53.4-56.6000115.8K451K451-D453 PolarHBondContact O-N 3.47Å
454R97.8Very high96.3Very high111 Ų11138.2 Ų38.242%0.41919%0.193SC..EExtended strand (participates in β ladder)trans-111.1135.8174-61176.8176.9-108.9-7.7109.8V450 K451 K452 L456 I482V450-R454 CarbonylContact C-O 3.56Å; V450-R454 VanDerWaalsContact CA-O 3.26Å; V450-R454 WeakPolarHBondContact CA-O 3.18Å; K451-R454 PolarHBondContact N-O 3.35Å; K451-R454 WeakPolarHBondContact O-CB 3.47Å; K451-R454 PolarHBondContact O-N 3.12Å; K451-R454 VanDerWaalsContact O-N 3.15Å; K452-R454 PolarHBondContact O-N 2.86Å; K452-R454 VanDerWaalsContact O-N 3.11Å; R454-L456 HydrophobicContact CB-CD1 4.25Å; R454-L456 VanDerWaalsContact O-CD1 3.31Å; R454-L456 WeakPolarHBondContact O-CD1 3.37Å; R454-I482 HydrophobicContact CG-CB 4.19Å; R454-I482 HydrophobicContact CG-CG2 4.3Å
455V98.6Very high96.2Very high1 Ų137.7 Ų37.71%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-93126.8172.3175.50000108.4F448 M449 V450 V476 F481 I482 L483 E484 W500 V527F448-V455 HydrophobicContact CD1-CG1 3.91Å; M449-V455 CarbonylContact O-C 3.56Å; M449-V455 WeakPolarHBondContact O-CA 3.2Å; V450-V455 HydrophobicContact CG2-CG2 3.98Å; V455-V476 HydrophobicContact CB-CG1 3.73Å; V455-V476 HydrophobicContact CB-CG2 4.33Å; V455-V476 HydrophobicContact CG1-CG1 4.08Å; V455-V476 HydrophobicContact CG1-CG2 3.88Å; V455-V476 HydrophobicContact CG2-CG1 3.87Å; V455-V476 HydrophobicContact CG2-CG2 4.28Å; V455-F481 HydrophobicContact CG2-CB 4.13Å; V455-F481 HydrophobicContact CG2-CG 4.46Å; V455-I482 PolarHBondContact N-O 3.34Å; V455-L483 HydrophobicContact CG1-CD1 4.09Å; V455-L483 CarbonylContact O-C 3.58Å; V455-L483 WeakPolarHBondContact O-CA 3.35Å; V455-E484 PolarHBondContact O-N 2.83Å; V455-W500 HydrophobicContact CB-CH2 4.43Å; V455-W500 HydrophobicContact CG1-CH2 3.57Å; V455-W500 HydrophobicContact CG1-CZ2 3.92Å; V455-W500 HydrophobicContact CG2-CH2 4.07Å; V455-V527 HydrophobicContact CG2-CG1 3.98Å
456L98.6Very high96.2Very high5 Ų537.6 Ų37.63%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-124.3146.3-179-49.596.5000111.2F448 M449 K451 R454 E484 R486 I488F448-L456 CarbonylContact C-O 3.57Å; F448-L456 VanDerWaalsContact CA-O 3.3Å; F448-L456 WeakPolarHBondContact CA-O 3.21Å; M449-L456 HydrophobicContact CE-CD1 4.33Å; M449-L456 HydrophobicContact CG-CB 3.94Å; M449-L456 HydrophobicContact CG-CD1 4.14Å; M449-L456 PolarHBondContact N-O 3.47Å; M449-L456 PolarHBondContact O-N 2.96Å; K451-L456 HydrophobicContact CB-CD1 4.07Å; R454-L456 HydrophobicContact CB-CD1 4.25Å; R454-L456 VanDerWaalsContact O-CD1 3.31Å; R454-L456 WeakPolarHBondContact O-CD1 3.37Å; L456-E484 VanDerWaalsContact CA-O 3.25Å; L456-E484 WeakPolarHBondContact CA-O 3.43Å; L456-E484 HydrophobicContact CD2-CB 4.23Å; L456-E484 HydrophobicContact CD2-CG 4.48Å; L456-E484 HydrophobicContact CG-CB 4.24Å; L456-R486 VanDerWaalsContact CD2-NH2 3.28Å; L456-I488 HydrophobicContact CB-CD1 3.66Å
457T98.4Very high96.2Very high1 Ų138.2 Ų38.21%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-143.4148.2171.6-174.40000110.3I447 F448 M473 E484 E485 R486I447-T457 PolarHBondContact O-OG1 2.96Å; F448-T457 HydrophobicContact CD1-CG2 4.15Å; F448-T457 HydrophobicContact CE1-CG2 3.74Å; F448-T457 HydrophobicContact CZ-CG2 4.29Å; T457-M473 HydrophobicContact CG2-SD 4.49Å; T457-E484 PolarHBondContact N-O 3.06Å; T457-E484 VanDerWaalsContact N-O 3.15Å; T457-E485 HydrophobicContact CG2-CG 4.31Å; T457-E485 WeakPolarHBondContact O-CA 3.41Å; T457-R486 PolarHBondContact O-N 3.48Å
458P98Very high96.1Very high3 Ų338.5 Ų38.52%0.01919%0.19CC..  trans-56.7149.6174.3-27.537.3000113.3V439 I447 R469 R486 F493V439-P458 HydrophobicContact CB-CG 4.41Å; V439-P458 HydrophobicContact CG1-CG 4.13Å; V439-P458 WeakPolarHBondContact O-CB 3.44Å; V439-P458 VanDerWaalsContact O-CG 3.26Å; V439-P458 WeakPolarHBondContact O-CG 3.4Å; I447-P458 HydrophobicContact CG2-CG 4.12Å; I447-P458 VanDerWaalsContact O-CD 3.3Å; I447-P458 WeakPolarHBondContact O-CD 3.33Å; P458-R469 PolarHBondContact O-NH2 3.15Å; P458-R486 VanDerWaalsContact CA-O 3.27Å; P458-R486 WeakPolarHBondContact CA-O 3.35Å; P458-F493 HydrophobicContact CG-CE2 4.4Å; P458-F493 HydrophobicContact CG-CZ 4.38Å
459H95.4Very high96.1Very high73 Ų7339.1 Ų39.134%0.33819%0.192SC..  trans-56.6144.7165.3-72.9-51.9000111.3D461 E485 R486H459-D461 WeakPolarHBondContact CB-OD2 3.39Å; H459-D461 PolarHBondContact O-N 3.49Å; H459-E485 WeakPolarHBondContact CA-OE1 2.97Å; H459-E485 PolarHBondContact CE1-O 3.46Å; H459-R486 PolarHBondContact N-O 2.76Å; H459-R486 WeakPolarHBondContact NE2-CA 3.29Å
460A93.8Very high96Very high17 Ų1741.1 Ų41.114%0.1421%0.209CC..THydrogen-bonded Turntrans-74.737.6174.100000114.4K406 C463 P465 E485K406-A460 WeakPolarHBondContact CE-O 3.44Å; K406-A460 PolarHBondContact NZ-O 2.92Å; A460-C463 VanDerWaalsContact CA-SG 3.59Å; A460-P465 HydrophobicContact CB-CB 4.21Å; A460-E485 PolarHBondContact N-OE1 3.48Å
461D92.6Very high96Very high78 Ų7841 Ų4142%0.41721%0.208SC..THydrogen-bonded Turntrans-76.5-42.9179.7-68.3-28.1000111.3K406 H459K406-D461 PolarHBondContact NZ-O 3.47Å; K406-D461 VanDerWaalsContact NZ-O 3.1Å; H459-D461 WeakPolarHBondContact CB-OD2 3.39Å; H459-D461 PolarHBondContact O-N 3.49Å
462Y91.7Very high96Very high26 Ų2637.7 Ų37.710%0.10219%0.194CC..SBendtrans-118.34.2-175-73.4-113.3000113R397 S405 D434 K435 S440R397-Y462 WeakPolarHBondContact CG-O 3.45Å; S405-Y462 PolarHBondContact OG-O 3.39Å; D434-Y462 HydrophobicContact CB-CD1 3.62Å; D434-Y462 HydrophobicContact CB-CD2 3.85Å; D434-Y462 HydrophobicContact CB-CE1 3.99Å; D434-Y462 HydrophobicContact CB-CE2 4.31Å; D434-Y462 HydrophobicContact CB-CG 3.57Å; K435-Y462 HydrophobicContact CB-CE1 4.23Å; K435-Y462 HydrophobicContact CD-CE1 4.42Å; K435-Y462 VanDerWaalsContact CD-OH 3.23Å; K435-Y462 WeakPolarHBondContact CD-OH 3.45Å; K435-Y462 WeakPolarHBondContact CE-OH 3.44Å; K435-Y462 HydrophobicContact CG-CE1 3.96Å; K435-Y462 WeakPolarHBondContact CG-OH 3.46Å; S440-Y462 VanDerWaalsContact OG-CB 3.22Å; S440-Y462 WeakPolarHBondContact OG-CB 3.21Å; S440-Y462 PolarHBondContact OG-O 3.27Å; S440-Y462 VanDerWaalsContact OG-O 3.05Å
463C92.6Very high96.1Very high2 Ų231.3 Ų31.31%0.01417%0.167CC..SBendtrans-121.1164178.868.10000111.4S440 E441 A460S440-C463 PolarHBondContact OG-N 2.95Å; E441-C463 HydrophobicContact CB-CB 3.73Å; E441-C463 HydrophobicContact CG-CB 3.6Å; E441-C463 WeakPolarHBondContact OE2-CB 3.41Å; A460-C463 VanDerWaalsContact CA-SG 3.59Å
464L94.3Very high96.4Very high27 Ų2730.9 Ų30.914%0.14116%0.161CC..  trans-70.2127.7169176.677.4000108.7S405 H408 N446 G466S405-L464 WeakPolarHBondContact O-CA 3.46Å; S405-L464 WeakPolarHBondContact O-CB 3.17Å; S405-L464 WeakPolarHBondContact O-CD1 3.26Å; H408-L464 HydrophobicContact CB-CD1 4.09Å; H408-L464 WeakPolarHBondContact CD2-CD2 3.45Å; H408-L464 VanDerWaalsContact NE2-CD2 3.3Å; H408-L464 WeakPolarHBondContact NE2-CD2 3.37Å; N446-L464 PolarHBondContact ND2-O 3.46Å; N446-L464 PolarHBondContact OD1-O 3.35Å; L464-G466 VanDerWaalsContact C-N 3.31Å; L464-G466 PolarHBondContact O-N 2.97Å
465P94.6Very high96.4Very high56 Ų5626.1 Ų26.136%0.36414%0.144SC..  trans-69.190.4171.228.4-33.3000109.4R308 A460R308-P465 PolarHBondContact NH1-O 2.97Å; A460-P465 HydrophobicContact CB-CB 4.21Å
466G96.2Very high96.4Very high8 Ų826 Ų268%0.08214%0.143CC..  trans-65.5141.2-175.900000113N446 L464 R469 A470N446-G466 VanDerWaalsContact OD1-CA 3.3Å; N446-G466 WeakPolarHBondContact OD1-CA 3.38Å; N446-G466 PolarHBondContact OD1-N 3.33Å; L464-G466 VanDerWaalsContact C-N 3.31Å; L464-G466 PolarHBondContact O-N 2.97Å; G466-R469 WeakPolarHBondContact O-CB 3.46Å; G466-R469 PolarHBondContact O-N 3.02Å; G466-A470 PolarHBondContact O-N 3.07Å
467I97.6Very high96.3Very high21 Ų2130 Ų3011%0.10817%0.168CC..Hα-helixtrans-66.9-39.3174-69.5160.1000110.8K301 E304 H305 R469 A470 T471K301-I467 HydrophobicContact CB-CG2 3.73Å; K301-I467 HydrophobicContact CD-CG2 4.38Å; K301-I467 HydrophobicContact CG-CG2 3.94Å; E304-I467 HydrophobicContact CB-CD1 4.15Å; E304-I467 HydrophobicContact CB-CG1 4.35Å; E304-I467 HydrophobicContact CB-CG2 4.34Å; H305-I467 HydrophobicContact CB-CD1 4.16Å; H305-I467 VanDerWaalsContact ND1-CD1 3.27Å; H305-I467 WeakPolarHBondContact ND1-CD1 3.38Å; I467-R469 VanDerWaalsContact C-N 3.33Å; I467-R469 PolarHBondContact O-N 2.97Å; I467-A470 PolarHBondContact O-N 3.39Å; I467-T471 WeakPolarHBondContact O-CB 3.37Å; I467-T471 PolarHBondContact O-N 3.44Å; I467-T471 PolarHBondContact O-OG1 3.4Å
468T96.9Very high96.3Very high8 Ų837.2 Ų37.25%0.04920%0.199CC..Hα-helixtrans-62.2-41.2171.2-48.30000111.2T471 V472 Y535T468-T471 PolarHBondContact O-N 2.87Å; T468-V472 HydrophobicContact CG2-CG2 4.47Å; T468-V472 WeakPolarHBondContact O-CB 3.4Å; T468-V472 VanDerWaalsContact O-CG2 3.31Å; T468-V472 WeakPolarHBondContact O-CG2 3.16Å; T468-V472 PolarHBondContact O-N 2.69Å; T468-Y535 HydrophobicContact CG2-CE2 4Å
469R97.7Very high96.2Very high13 Ų1339.1 Ų39.15%0.04921%0.208CC..Hα-helixtrans-58.2-51174.5177.5-168.1-178.5-989.6111.3N446 F448 P458 G466 I467 T471 V472 M473 E485N446-R469 HydrophobicContact CB-CB 4.09Å; N446-R469 HydrophobicContact CB-CG 4.19Å; N446-R469 VanDerWaalsContact OD1-CB 3.3Å; N446-R469 WeakPolarHBondContact OD1-CB 3.27Å; F448-R469 HydrophobicContact CE2-CB 4.27Å; F448-R469 HydrophobicContact CE2-CG 3.8Å; F448-R469 HydrophobicContact CZ-CB 4.32Å; F448-R469 HydrophobicContact CZ-CG 3.56Å; P458-R469 PolarHBondContact O-NH2 3.15Å; G466-R469 WeakPolarHBondContact O-CB 3.46Å; G466-R469 PolarHBondContact O-N 3.02Å; I467-R469 VanDerWaalsContact C-N 3.33Å; I467-R469 PolarHBondContact O-N 2.97Å; R469-T471 VanDerWaalsContact C-N 3.34Å; R469-T471 PolarHBondContact O-N 3.47Å; R469-V472 PolarHBondContact O-N 3.03Å; R469-M473 HydrophobicContact CG-SD 4.13Å; R469-M473 PolarHBondContact NH1-SD 2.98Å; R469-M473 VanDerWaalsContact O-CG 3.31Å; R469-M473 WeakPolarHBondContact O-CG 3.24Å; R469-M473 PolarHBondContact O-N 2.69Å; R469-E485 IonicContact CZ-OE1 3.79Å; R469-E485 IonicContact NH1-OE1 2.68Å; R469-E485 IonicContact NH2-OE1 3.64Å; R469-E485 PolarHBondContact NH2-OE1 3.42Å; R469-E485 IonicContact NH2-OE2 2.92Å
470A97.5Very high96.3Very high44 Ų4442.5 Ų42.536%0.36423%0.228SC..Hα-helixtrans-59.3-44.4177.200000111.9G466 I467 V472 M473 E474G466-A470 PolarHBondContact O-N 3.07Å; I467-A470 PolarHBondContact O-N 3.39Å; A470-V472 VanDerWaalsContact C-N 3.33Å; A470-V472 PolarHBondContact O-N 2.61Å; A470-M473 WeakPolarHBondContact O-CB 3.37Å; A470-M473 PolarHBondContact O-N 3.05Å; A470-E474 PolarHBondContact O-N 3.45Å
471T97.9Very high96.5Very high3 Ų343.5 Ų43.52%0.01823%0.229CC..Hα-helixtrans-59.9-43175.9-56.30000111.6F300 I467 T468 R469 E474 L475 Y535 L538F300-T471 HydrophobicContact CZ-CG2 4.16Å; I467-T471 WeakPolarHBondContact O-CB 3.37Å; I467-T471 PolarHBondContact O-N 3.44Å; I467-T471 PolarHBondContact O-OG1 3.4Å; T468-T471 PolarHBondContact O-N 2.87Å; R469-T471 VanDerWaalsContact C-N 3.34Å; R469-T471 PolarHBondContact O-N 3.47Å; T471-E474 WeakPolarHBondContact O-CB 3.34Å; T471-E474 PolarHBondContact O-N 3.08Å; T471-L475 HydrophobicContact CG2-CD1 4.49Å; T471-L475 WeakPolarHBondContact O-CG 3.41Å; T471-L475 PolarHBondContact O-N 3.04Å; T471-Y535 HydrophobicContact CG2-CD2 4.27Å; T471-Y535 HydrophobicContact CG2-CE2 4.09Å; T471-L538 HydrophobicContact CG2-CD2 3.49Å; T471-L538 VanDerWaalsContact CG2-CD2 3.49Å
472V97.8Very high96.7Very high0 Ų044 Ų440%023%0.231CC..Hα-helixtrans-66.9-38.8177.6169.60000111.3F448 T468 R469 A470 E474 L475 V476 W500 T502 L508F448-V472 HydrophobicContact CE1-CG1 4.23Å; F448-V472 HydrophobicContact CE2-CG1 4.41Å; F448-V472 HydrophobicContact CZ-CB 4.33Å; F448-V472 HydrophobicContact CZ-CG1 4.08Å; T468-V472 HydrophobicContact CG2-CG2 4.47Å; T468-V472 WeakPolarHBondContact O-CB 3.4Å; T468-V472 VanDerWaalsContact O-CG2 3.31Å; T468-V472 WeakPolarHBondContact O-CG2 3.16Å; T468-V472 PolarHBondContact O-N 2.69Å; R469-V472 PolarHBondContact O-N 3.03Å; A470-V472 VanDerWaalsContact C-N 3.33Å; A470-V472 PolarHBondContact O-N 2.61Å; V472-E474 VanDerWaalsContact C-N 3.33Å; V472-E474 PolarHBondContact O-N 2.95Å; V472-L475 CarbonylContact O-C 3.58Å; V472-L475 PolarHBondContact O-N 2.93Å; V472-L475 VanDerWaalsContact O-N 3.14Å; V472-V476 HydrophobicContact CG1-CG2 4.2Å; V472-V476 WeakPolarHBondContact O-CG2 3.19Å; V472-V476 PolarHBondContact O-N 3Å; V472-W500 HydrophobicContact CG1-CZ2 4.29Å; V472-T502 HydrophobicContact CB-CG2 4.4Å; V472-T502 HydrophobicContact CG1-CG2 4.49Å; V472-T502 HydrophobicContact CG2-CG2 3.97Å; V472-L508 HydrophobicContact CG1-CD2 4.36Å; V472-L508 HydrophobicContact CG2-CD1 3.61Å; V472-L508 HydrophobicContact CG2-CD2 3.92Å; V472-L508 HydrophobicContact CG2-CG 3.87Å
473M98.2Very high97Very high33 Ų3345 Ų4516%0.16324%0.238CC..Hα-helixtrans-59.5-43.1174.3-70.7169.673.100111.8F448 T457 R469 A470 L475 V476 V477 L483F448-M473 HydrophobicContact CE1-CG 3.99Å; F448-M473 HydrophobicContact CZ-CG 4.06Å; T457-M473 HydrophobicContact CG2-SD 4.49Å; R469-M473 HydrophobicContact CG-SD 4.13Å; R469-M473 PolarHBondContact NH1-SD 2.98Å; R469-M473 VanDerWaalsContact O-CG 3.31Å; R469-M473 WeakPolarHBondContact O-CG 3.24Å; R469-M473 PolarHBondContact O-N 2.69Å; A470-M473 WeakPolarHBondContact O-CB 3.37Å; A470-M473 PolarHBondContact O-N 3.05Å; M473-L475 VanDerWaalsContact C-N 3.35Å; M473-L475 PolarHBondContact O-N 2.84Å; M473-V476 PolarHBondContact O-N 3.42Å; M473-V477 PolarHBondContact O-N 3.11Å; M473-L483 HydrophobicContact CB-CD2 3.56Å; M473-L483 HydrophobicContact CE-CD2 3.8Å; M473-L483 HydrophobicContact CG-CD1 4.24Å; M473-L483 HydrophobicContact CG-CD2 3.76Å
474E98.1Very high97.3Very high119 Ų11948 Ų4856%0.55625%0.252SS*.Hα-helixtrans-60.7-43.2172.9-68.3171.4-171.100111.8A470 T471 V472 V477 K478A470-E474 PolarHBondContact O-N 3.45Å; T471-E474 WeakPolarHBondContact O-CB 3.34Å; T471-E474 PolarHBondContact O-N 3.08Å; V472-E474 VanDerWaalsContact C-N 3.33Å; V472-E474 PolarHBondContact O-N 2.95Å; E474-V477 PolarHBondContact O-N 2.86Å; E474-K478 WeakPolarHBondContact O-CB 3.46Å; E474-K478 PolarHBondContact O-N 2.98Å
475L97.9Very high97.4Very high10 Ų1050.2 Ų50.25%0.05226%0.261CS..Hα-helixtrans-65.3-39177.5-70.3176.1000112.6T471 V472 M473 V477 K478 E479 L531 A534 Y535 L538T471-L475 HydrophobicContact CG2-CD1 4.49Å; T471-L475 WeakPolarHBondContact O-CG 3.41Å; T471-L475 PolarHBondContact O-N 3.04Å; V472-L475 CarbonylContact O-C 3.58Å; V472-L475 PolarHBondContact O-N 2.93Å; V472-L475 VanDerWaalsContact O-N 3.14Å; M473-L475 VanDerWaalsContact C-N 3.35Å; M473-L475 PolarHBondContact O-N 2.84Å; L475-V477 VanDerWaalsContact C-N 3.34Å; L475-V477 PolarHBondContact O-N 2.92Å; L475-K478 PolarHBondContact O-N 3.37Å; L475-E479 WeakPolarHBondContact O-CB 3.49Å; L475-E479 VanDerWaalsContact O-CG 3.31Å; L475-E479 WeakPolarHBondContact O-CG 3.43Å; L475-E479 PolarHBondContact O-N 3.32Å; L475-L531 HydrophobicContact CB-CD2 4.13Å; L475-A534 HydrophobicContact CD1-CB 4.47Å; L475-A534 HydrophobicContact CD2-CB 4.23Å; L475-Y535 HydrophobicContact CD1-CD2 4.03Å; L475-L538 HydrophobicContact CD1-CD2 4.44Å; L475-L538 HydrophobicContact CD2-CD2 4.38Å
476V98.1Very high97.6Very high0 Ų050.7 Ų50.70%026%0.256CS..Hα-helixtrans-57.6-48.7176.3168.10000110.2V455 V472 M473 E479 N480 F481 L483 L531V455-V476 HydrophobicContact CB-CG1 3.73Å; V455-V476 HydrophobicContact CB-CG2 4.33Å; V455-V476 HydrophobicContact CG1-CG1 4.08Å; V455-V476 HydrophobicContact CG1-CG2 3.88Å; V455-V476 HydrophobicContact CG2-CG1 3.87Å; V455-V476 HydrophobicContact CG2-CG2 4.28Å; V472-V476 HydrophobicContact CG1-CG2 4.2Å; V472-V476 WeakPolarHBondContact O-CG2 3.19Å; V472-V476 PolarHBondContact O-N 3Å; M473-V476 PolarHBondContact O-N 3.42Å; V476-E479 PolarHBondContact O-N 3.11Å; V476-N480 PolarHBondContact O-N 3Å; V476-F481 HydrophobicContact CG1-CB 3.7Å; V476-F481 PolarHBondContact O-N 3.01Å; V476-L483 HydrophobicContact CG1-CB 3.82Å; V476-L483 HydrophobicContact CG1-CD1 4.19Å; V476-L483 HydrophobicContact CG1-CG 4.48Å; V476-L531 HydrophobicContact CG2-CD1 3.76Å; V476-L531 HydrophobicContact CG2-CD2 3.96Å
477V97.6Very high97.6Very high89 Ų8954.6 Ų54.654%0.53927%0.268SS..Hα-helixtrans-64.4-44.8177.4176.50000110.9M473 E474 L475 E479 N480 L483M473-V477 PolarHBondContact O-N 3.11Å; E474-V477 PolarHBondContact O-N 2.86Å; L475-V477 VanDerWaalsContact C-N 3.34Å; L475-V477 PolarHBondContact O-N 2.92Å; V477-E479 VanDerWaalsContact C-N 3.32Å; V477-E479 PolarHBondContact O-N 2.78Å; V477-N480 WeakPolarHBondContact O-CA 3.19Å; V477-N480 PolarHBondContact O-N 3.08Å; V477-L483 HydrophobicContact CG2-CB 4.31Å; V477-L483 HydrophobicContact CG2-CD2 4.31Å
478K97.5Very high97.7Very high152 Ų15253.6 Ų53.666%0.66126%0.263SS*.Hα-helixtrans-63-35.5179.2-176.9178.9177.2-179.80113.3E474 L475 N480E474-K478 WeakPolarHBondContact O-CB 3.46Å; E474-K478 PolarHBondContact O-N 2.98Å; L475-K478 PolarHBondContact O-N 3.37Å; K478-N480 PolarHBondContact O-N 2.87Å
479E96.8Very high97.7Very high43 Ų4354.9 Ų54.920%0.20127%0.272CS..THydrogen-bonded Turntrans-80.25.1176.3-68.1-62.8148.200112.9L475 V476 V477 F481 R530 L531 A534L475-E479 WeakPolarHBondContact O-CB 3.49Å; L475-E479 VanDerWaalsContact O-CG 3.31Å; L475-E479 WeakPolarHBondContact O-CG 3.43Å; L475-E479 PolarHBondContact O-N 3.32Å; V476-E479 PolarHBondContact O-N 3.11Å; V477-E479 VanDerWaalsContact C-N 3.32Å; V477-E479 PolarHBondContact O-N 2.78Å; E479-F481 HydrophobicContact CB-CD2 3.79Å; E479-F481 HydrophobicContact CB-CE2 3.87Å; E479-R530 PolarHBondContact O-NH2 3.48Å; E479-R530 IonicContact OE2-CZ 3.5Å; E479-R530 IonicContact OE2-NE 3.41Å; E479-R530 PolarHBondContact OE2-NE 3.24Å; E479-R530 IonicContact OE2-NH2 3.67Å; E479-R530 PolarHBondContact OE2-NH2 2.97Å; E479-L531 HydrophobicContact CG-CD2 4.28Å; E479-A534 HydrophobicContact CG-CB 4.35Å
480N96.7Very high97.7Very high144 Ų14455.8 Ų55.877%0.7728%0.278SS*.THydrogen-bonded Turntrans67.632.3178-52.2-72.2000114.4V476 V477 K478V476-N480 PolarHBondContact O-N 3Å; V477-N480 WeakPolarHBondContact O-CA 3.19Å; V477-N480 PolarHBondContact O-N 3.08Å; K478-N480 PolarHBondContact O-N 2.87Å
481F97.4Very high97.8Very high37 Ų3757.7 Ų57.716%0.16229%0.288CS..PPolyproline II helixtrans-92.3150.4168.5-66.1-71.9000110.9V455 V476 E479 L483 V527V455-F481 HydrophobicContact CG2-CB 4.13Å; V455-F481 HydrophobicContact CG2-CG 4.46Å; V476-F481 HydrophobicContact CG1-CB 3.7Å; V476-F481 PolarHBondContact O-N 3.01Å; E479-F481 HydrophobicContact CB-CD2 3.79Å; E479-F481 HydrophobicContact CB-CE2 3.87Å; F481-L483 PolarHBondContact O-N 2.69Å; F481-V527 HydrophobicContact CD1-CG1 4.4Å; F481-V527 HydrophobicContact CD1-CG2 4.5Å; F481-V527 HydrophobicContact CD2-CG1 4.34Å; F481-V527 HydrophobicContact CE1-CB 4.47Å; F481-V527 HydrophobicContact CE1-CG1 4.1Å; F481-V527 HydrophobicContact CE1-CG2 3.74Å; F481-V527 HydrophobicContact CE2-CG1 4.03Å; F481-V527 HydrophobicContact CZ-CB 4.29Å; F481-V527 HydrophobicContact CZ-CG1 3.89Å; F481-V527 HydrophobicContact CZ-CG2 3.95Å
482I97.7Very high97.8Very high90 Ų9060 Ų6046%0.46230%0.299SS..EExtended strand (participates in β ladder)trans-78.6120.7172.7-60.1173.9000108.1R454 V455R454-I482 HydrophobicContact CG-CB 4.19Å; R454-I482 HydrophobicContact CG-CG2 4.3Å; V455-I482 PolarHBondContact N-O 3.34Å
483L98.3Very high97.8Very high47 Ų4760 Ų6025%0.24630%0.299CS..EExtended strand (participates in β ladder)trans-98.3132.3174.8179.164000110.7V455 M473 V476 V477 F481V455-L483 HydrophobicContact CG1-CD1 4.09Å; V455-L483 CarbonylContact O-C 3.58Å; V455-L483 WeakPolarHBondContact O-CA 3.35Å; M473-L483 HydrophobicContact CB-CD2 3.56Å; M473-L483 HydrophobicContact CE-CD2 3.8Å; M473-L483 HydrophobicContact CG-CD1 4.24Å; M473-L483 HydrophobicContact CG-CD2 3.76Å; V476-L483 HydrophobicContact CG1-CB 3.82Å; V476-L483 HydrophobicContact CG1-CD1 4.19Å; V476-L483 HydrophobicContact CG1-CG 4.48Å; V477-L483 HydrophobicContact CG2-CB 4.31Å; V477-L483 HydrophobicContact CG2-CD2 4.31Å; F481-L483 PolarHBondContact O-N 2.69Å
484E97.8Very high97.9Very high63 Ų6359.9 Ų59.929%0.29430%0.298SS..EExtended strand (participates in β ladder)trans-131.1117.3175.5-166.9177.5138.400110.7V455 L456 T457 R486V455-E484 PolarHBondContact O-N 2.83Å; L456-E484 VanDerWaalsContact CA-O 3.25Å; L456-E484 WeakPolarHBondContact CA-O 3.43Å; L456-E484 HydrophobicContact CD2-CB 4.23Å; L456-E484 HydrophobicContact CD2-CG 4.48Å; L456-E484 HydrophobicContact CG-CB 4.24Å; T457-E484 PolarHBondContact N-O 3.06Å; T457-E484 VanDerWaalsContact N-O 3.15Å; E484-R486 HydrophobicContact CG-CG 4.25Å; E484-R486 WeakPolarHBondContact OE1-CD 3.42Å; E484-R486 IonicContact OE1-CZ 3.91Å; E484-R486 IonicContact OE1-NE 2.8Å; E484-R486 PolarHBondContact OE1-NE 3.35Å
485E97.6Very high97.9Very high74 Ų7458.4 Ų58.435%0.34630%0.297SS..EExtended strand (participates in β ladder)trans-98.1114.9171.9-169.1-179.1-175.800108.9T457 H459 A460 R469T457-E485 HydrophobicContact CG2-CG 4.31Å; T457-E485 WeakPolarHBondContact O-CA 3.41Å; H459-E485 WeakPolarHBondContact CA-OE1 2.97Å; H459-E485 PolarHBondContact CE1-O 3.46Å; A460-E485 PolarHBondContact N-OE1 3.48Å; R469-E485 IonicContact CZ-OE1 3.79Å; R469-E485 IonicContact NH1-OE1 2.68Å; R469-E485 IonicContact NH2-OE1 3.64Å; R469-E485 PolarHBondContact NH2-OE1 3.42Å; R469-E485 IonicContact NH2-OE2 2.92Å
486R97.4Very high97.9Very high67 Ų6758.1 Ų58.125%0.25330%0.296SS..  trans-156.4175.7-179.865160.7170.891.8-2.1113.2L456 T457 P458 H459 E484 I488 E492L456-R486 VanDerWaalsContact CD2-NH2 3.28Å; T457-R486 PolarHBondContact O-N 3.48Å; P458-R486 VanDerWaalsContact CA-O 3.27Å; P458-R486 WeakPolarHBondContact CA-O 3.35Å; H459-R486 PolarHBondContact N-O 2.76Å; H459-R486 WeakPolarHBondContact NE2-CA 3.29Å; E484-R486 HydrophobicContact CG-CG 4.25Å; E484-R486 WeakPolarHBondContact OE1-CD 3.42Å; E484-R486 IonicContact OE1-CZ 3.91Å; E484-R486 IonicContact OE1-NE 2.8Å; E484-R486 PolarHBondContact OE1-NE 3.35Å; R486-I488 HydrophobicContact CG-CG1 4.12Å; R486-E492 IonicContact CZ-OE2 3.91Å; R486-E492 IonicContact NH1-OE1 3.27Å; R486-E492 IonicContact NH1-OE2 3.69Å; R486-E492 PolarHBondContact NH1-OE2 3.29Å; R486-E492 IonicContact NH2-OE2 3.19Å; R486-E492 PolarHBondContact NH2-OE2 3.42Å
487R97.7Very high97.9Very high90 Ų9061.4 Ų61.434%0.3431%0.314SS..  trans-68.6131.3166.3-55.5-171.986.2165.38.9109.8D434 D436 F438D434-R487 IonicContact OD1-NH2 2.74Å; D434-R487 IonicContact OD2-CZ 3.7Å; D434-R487 IonicContact OD2-NE 3.82Å; D434-R487 IonicContact OD2-NH2 3.81Å; D434-R487 PolarHBondContact OD2-NH2 3.21Å; D436-R487 IonicContact OD2-CZ 3.48Å; D436-R487 IonicContact OD2-NH1 3.29Å; D436-R487 PolarHBondContact OD2-NH1 3.42Å; D436-R487 IonicContact OD2-NH2 3.99Å; D436-R487 PolarHBondContact OD2-NH2 2.84Å; F438-R487 HydrophobicContact CD1-CB 3.74Å; F438-R487 VanDerWaalsContact CD2-CZ 3.47Å; F438-R487 VanDerWaalsContact CD2-NE 3.33Å; F438-R487 HydrophobicContact CE1-CB 3.99Å; F438-R487 HydrophobicContact CG-CB 4.01Å; F438-R487 HydrophobicContact CZ-CB 4.48Å
488I98.3Very high98Very high0 Ų058 Ų580%029%0.292CS..  trans-130125.5-176.7-55169.3000108V439 M449 L456 R486 E492 F493V439-I488 PolarHBondContact N-O 2.72Å; M449-I488 HydrophobicContact CG-CD1 4.44Å; M449-I488 HydrophobicContact SD-CD1 4.45Å; M449-I488 HydrophobicContact SD-CG2 3.6Å; M449-I488 VanDerWaalsContact SD-CG2 3.6Å; L456-I488 HydrophobicContact CB-CD1 3.66Å; R486-I488 HydrophobicContact CG-CG1 4.12Å; I488-E492 HydrophobicContact CG2-CB 3.72Å; I488-F493 HydrophobicContact CB-CD2 4.36Å; I488-F493 HydrophobicContact CB-CE2 3.82Å; I488-F493 HydrophobicContact CD1-CE2 4.25Å; I488-F493 HydrophobicContact CD1-CZ 4.4Å; I488-F493 HydrophobicContact CG2-CD2 3.59Å; I488-F493 HydrophobicContact CG2-CE2 3.45Å; I488-F493 VanDerWaalsContact CG2-CE2 3.45Å; I488-F493 HydrophobicContact CG2-CZ 4.4Å
489S98.2Very high98Very high35 Ų3550.9 Ų50.925%0.24526%0.261CS..BIsolated β-bridgetrans-76.2157.4179.164.90000111.4S491 E492 F493S489-S491 PolarHBondContact O-N 2.94Å; S489-E492 PolarHBondContact N-OE1 2.67Å; S489-E492 WeakPolarHBondContact O-CB 3.4Å; S489-E492 PolarHBondContact O-N 2.67Å; S489-E492 VanDerWaalsContact O-N 3.12Å; S489-E492 WeakPolarHBondContact OG-CG 3.48Å; S489-E492 PolarHBondContact OG-N 3.01Å; S489-E492 PolarHBondContact OG-OE1 3.36Å; S489-F493 PolarHBondContact O-N 3.3Å
490L98Very high98.1Very high32 Ų3248.8 Ų48.817%0.16825%0.252CS..Hα-helixtrans-60.3-34.8175.8-176.164.2000112.3T392 I431 L433 V439 E492 F493 H494T392-L490 HydrophobicContact CG2-CD2 3.93Å; T392-L490 VanDerWaalsContact OG1-CD1 3.32Å; T392-L490 WeakPolarHBondContact OG1-CD1 3.42Å; T392-L490 WeakPolarHBondContact OG1-CD2 3.18Å; I431-L490 HydrophobicContact CD1-CD1 4.47Å; L433-L490 HydrophobicContact CD2-CB 4.5Å; V439-L490 HydrophobicContact CG2-CB 4.29Å; V439-L490 HydrophobicContact CG2-CD1 4.11Å; L490-E492 VanDerWaalsContact C-N 3.27Å; L490-E492 PolarHBondContact O-N 2.72Å; L490-F493 WeakPolarHBondContact O-CB 3.22Å; L490-F493 PolarHBondContact O-N 3.02Å; L490-F493 VanDerWaalsContact O-N 3.16Å; L490-H494 PolarHBondContact O-N 3.16Å
491S98.4Very high98.1Very high83 Ų8342 Ų4258%0.5822%0.215SC*.Hα-helixtrans-63.6-31.1176.6-57.90000113.1S489 T495S489-S491 PolarHBondContact O-N 2.94Å; S491-T495 PolarHBondContact O-N 2.89Å; S491-T495 PolarHBondContact O-OG1 3.5Å
492E98.6Very high98.1Very high52 Ų5240.3 Ų40.324%0.24321%0.208CC..Hα-helixtrans-69.8-41.5173.5-71.8168.8-88.200111.1M449 R486 I488 S489 L490 H494 T495 A496M449-E492 HydrophobicContact CE-CB 4.33Å; M449-E492 HydrophobicContact SD-CB 4.24Å; R486-E492 IonicContact CZ-OE2 3.91Å; R486-E492 IonicContact NH1-OE1 3.27Å; R486-E492 IonicContact NH1-OE2 3.69Å; R486-E492 PolarHBondContact NH1-OE2 3.29Å; R486-E492 IonicContact NH2-OE2 3.19Å; R486-E492 PolarHBondContact NH2-OE2 3.42Å; I488-E492 HydrophobicContact CG2-CB 3.72Å; S489-E492 PolarHBondContact N-OE1 2.67Å; S489-E492 WeakPolarHBondContact O-CB 3.4Å; S489-E492 PolarHBondContact O-N 2.67Å; S489-E492 VanDerWaalsContact O-N 3.12Å; S489-E492 WeakPolarHBondContact OG-CG 3.48Å; S489-E492 PolarHBondContact OG-N 3.01Å; S489-E492 PolarHBondContact OG-OE1 3.36Å; L490-E492 VanDerWaalsContact C-N 3.27Å; L490-E492 PolarHBondContact O-N 2.72Å; E492-H494 PolarHBondContact O-N 2.97Å; E492-T495 CarbonylContact O-C 3.48Å; E492-T495 PolarHBondContact O-N 3.46Å; E492-T495 PolarHBondContact O-OG1 3.48Å; E492-A496 PolarHBondContact O-N 2.94Å
493F98.6Very high97.9Very high0 Ų036.7 Ų36.70%019%0.193CC..Hα-helixtrans-62.7-40.4173-87-81.8000112.5V439 I447 M449 P458 I488 S489 L490 T495 A496 V499 I514 I519V439-F493 HydrophobicContact CB-CD2 3.81Å; V439-F493 HydrophobicContact CB-CE2 3.58Å; V439-F493 HydrophobicContact CG1-CD2 4.01Å; V439-F493 HydrophobicContact CG1-CE2 3.58Å; V439-F493 HydrophobicContact CG1-CZ 4.06Å; V439-F493 HydrophobicContact CG2-CD2 3.49Å; V439-F493 VanDerWaalsContact CG2-CD2 3.49Å; V439-F493 HydrophobicContact CG2-CE2 3.84Å; V439-F493 HydrophobicContact CG2-CG 4.34Å; I447-F493 HydrophobicContact CD1-CD1 4.03Å; I447-F493 HydrophobicContact CD1-CE1 3.73Å; I447-F493 HydrophobicContact CD1-CZ 4.38Å; I447-F493 HydrophobicContact CG1-CD1 4.47Å; I447-F493 HydrophobicContact CG1-CE1 3.73Å; I447-F493 HydrophobicContact CG1-CZ 4.27Å; I447-F493 HydrophobicContact CG2-CE1 4.16Å; I447-F493 HydrophobicContact CG2-CZ 3.81Å; M449-F493 HydrophobicContact CB-CD1 4.02Å; M449-F493 HydrophobicContact CB-CE1 3.74Å; M449-F493 HydrophobicContact CB-CZ 4.38Å; M449-F493 HydrophobicContact CG-CD1 4.48Å; M449-F493 HydrophobicContact CG-CE1 4.08Å; M449-F493 HydrophobicContact CG-CZ 4.23Å; M449-F493 HydrophobicContact SD-CD1 4.34Å; M449-F493 HydrophobicContact SD-CD2 4.28Å; M449-F493 HydrophobicContact SD-CE1 4.37Å; M449-F493 HydrophobicContact SD-CE2 4.34Å; M449-F493 HydrophobicContact SD-CG 4.29Å; M449-F493 HydrophobicContact SD-CZ 4.38Å; P458-F493 HydrophobicContact CG-CE2 4.4Å; P458-F493 HydrophobicContact CG-CZ 4.38Å; I488-F493 HydrophobicContact CB-CD2 4.36Å; I488-F493 HydrophobicContact CB-CE2 3.82Å; I488-F493 HydrophobicContact CD1-CE2 4.25Å; I488-F493 HydrophobicContact CD1-CZ 4.4Å; I488-F493 HydrophobicContact CG2-CD2 3.59Å; I488-F493 HydrophobicContact CG2-CE2 3.45Å; I488-F493 VanDerWaalsContact CG2-CE2 3.45Å; I488-F493 HydrophobicContact CG2-CZ 4.4Å; S489-F493 PolarHBondContact O-N 3.3Å; L490-F493 WeakPolarHBondContact O-CB 3.22Å; L490-F493 PolarHBondContact O-N 3.02Å; L490-F493 VanDerWaalsContact O-N 3.16Å; F493-T495 PolarHBondContact O-N 3Å; F493-A496 WeakPolarHBondContact O-CB 3.48Å; F493-A496 PolarHBondContact O-N 3.03Å; F493-V499 HydrophobicContact CD1-CG1 4.05Å; F493-V499 HydrophobicContact CD1-CG2 3.94Å; F493-V499 HydrophobicContact CE1-CG1 4.2Å; F493-I514 HydrophobicContact CB-CD1 4.26Å; F493-I519 WeakPolarHBondContact O-CD1 3.26Å
494H98.5Very high97.6Very high31 Ų3135.7 Ų35.714%0.14419%0.188CC..Hα-helixtrans-62-24.6175.8-67.8164.1000113.8L490 E492 D515 R517L490-H494 PolarHBondContact O-N 3.16Å; E492-H494 PolarHBondContact O-N 2.97Å; H494-D515 IonicContact CD2-OD2 2.77Å; H494-D515 IonicContact CE1-OD2 3.2Å; H494-D515 IonicContact NE2-OD2 2.75Å; H494-D515 PolarHBondContact NE2-OD2 2.97Å; H494-R517 PolarHBondContact CE1-NH1 3.45Å
495T98.1Very high97.2Very high87 Ų8734.1 Ų34.153%0.53418%0.181SC..THydrogen-bonded Turntrans-112.611.8-17758.80000112.8K451 S491 E492 F493K451-T495 PolarHBondContact NZ-O 3.02Å; S491-T495 PolarHBondContact O-N 2.89Å; S491-T495 PolarHBondContact O-OG1 3.5Å; E492-T495 CarbonylContact O-C 3.48Å; E492-T495 PolarHBondContact O-N 3.46Å; E492-T495 PolarHBondContact O-OG1 3.48Å; F493-T495 PolarHBondContact O-N 3Å
496A98.6Very high96.6Very high4 Ų430.7 Ų30.73%0.03317%0.166CC..  trans-64.2151.1177.800000111.8M449 E492 F493 V499 I519 G520M449-A496 HydrophobicContact CB-CB 3.89Å; M449-A496 HydrophobicContact CE-CB 3.76Å; M449-A496 HydrophobicContact SD-CB 4.44Å; E492-A496 PolarHBondContact O-N 2.94Å; F493-A496 WeakPolarHBondContact O-CB 3.48Å; F493-A496 PolarHBondContact O-N 3.03Å; A496-V499 HydrophobicContact CB-CG2 3.54Å; A496-I519 HydrophobicContact CB-CG2 4.48Å; A496-G520 PolarHBondContact O-N 3.32Å
497D98.6Very high96.4Very high69 Ų6929.2 Ų29.237%0.36916%0.162SC..SBendtrans-78.5-35.2176.4-52.6-28.8000109.9V450 K451 K452 G520V450-D497 HydrophobicContact CG1-CB 4.45Å; V450-D497 PolarHBondContact O-N 2.9Å; K451-D497 WeakPolarHBondContact CA-OD2 3.4Å; K451-D497 IonicContact NZ-OD1 2.74Å; K451-D497 PolarHBondContact NZ-OD1 2.95Å; K452-D497 PolarHBondContact N-OD2 3.12Å; D497-G520 WeakPolarHBondContact O-CA 3.44Å
498E98.6Very high96.4Very high17 Ų1725 Ų258%0.07915%0.147CC..EExtended strand (participates in β ladder)trans-143.4153.1169.8-49.6-177.8-15600110.1M449 V450 G525 P526 V527 T528M449-E498 CarbonylContact C-O 3.54Å; M449-E498 VanDerWaalsContact CA-O 3.25Å; M449-E498 WeakPolarHBondContact CA-O 3.45Å; V450-E498 HydrophobicContact CB-CB 3.99Å; V450-E498 HydrophobicContact CB-CG 4.26Å; V450-E498 HydrophobicContact CG2-CB 4.26Å; V450-E498 PolarHBondContact N-O 3.22Å; E498-G525 VanDerWaalsContact CD-C 3.45Å; E498-G525 WeakPolarHBondContact OE1-CA 3.29Å; E498-G525 VanDerWaalsContact OE2-C 3.24Å; E498-G525 WeakPolarHBondContact OE2-CA 3.43Å; E498-P526 WeakPolarHBondContact OE1-CD 3.48Å; E498-P526 WeakPolarHBondContact OE1-CG 3.41Å; E498-P526 VanDerWaalsContact OE1-N 3.14Å; E498-V527 WeakPolarHBondContact OE1-CB 3.3Å; E498-V527 WeakPolarHBondContact OE1-CG2 3.48Å; E498-V527 PolarHBondContact OE1-N 3.29Å; E498-V527 PolarHBondContact OE2-N 2.94Å; E498-T528 VanDerWaalsContact OE2-CB 3.31Å; E498-T528 WeakPolarHBondContact OE2-CB 3.23Å; E498-T528 PolarHBondContact OE2-N 3.45Å; E498-T528 PolarHBondContact OE2-OG1 3.41Å
499V98.7Very high96.3Very high3 Ų325 Ų252%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-138.4142.4170.6176.10000108.6I447 F448 M449 F493 A496 V511 I514 I519I447-V499 HydrophobicContact CD1-CG1 3.93Å; I447-V499 HydrophobicContact CG1-CG1 3.99Å; F448-V499 WeakPolarHBondContact O-CA 3.34Å; F448-V499 WeakPolarHBondContact O-CG1 3.25Å; M449-V499 HydrophobicContact CB-CG2 4.04Å; F493-V499 HydrophobicContact CD1-CG1 4.05Å; F493-V499 HydrophobicContact CD1-CG2 3.94Å; F493-V499 HydrophobicContact CE1-CG1 4.2Å; A496-V499 HydrophobicContact CB-CG2 3.54Å; V499-V511 HydrophobicContact CB-CB 3.91Å; V499-V511 HydrophobicContact CB-CG1 4.48Å; V499-V511 HydrophobicContact CG1-CB 3.73Å; V499-V511 HydrophobicContact CG1-CG1 4.23Å; V499-V511 HydrophobicContact CG1-CG2 3.86Å; V499-V511 PolarHBondContact O-N 3.06Å; V499-I514 HydrophobicContact CG1-CD1 4.2Å; V499-I514 HydrophobicContact CG2-CD1 4.22Å; V499-I519 HydrophobicContact CB-CG2 4.13Å; V499-I519 HydrophobicContact CG2-CG2 3.74Å
500W98.3Very high96.3Very high0 Ų023.5 Ų23.50%014%0.136CC..EExtended strand (participates in β ladder)trans-144.6162.3168.270.594.7000111.4I447 F448 V450 V455 V472 S509 T528 L531I447-W500 WeakPolarHBondContact CG1-O 3.47Å; F448-W500 HydrophobicContact CB-CD2 3.7Å; F448-W500 HydrophobicContact CB-CE3 4.13Å; F448-W500 HydrophobicContact CB-CG 4.3Å; F448-W500 HydrophobicContact CB-CH2 3.86Å; F448-W500 HydrophobicContact CB-CZ2 3.36Å; F448-W500 HydrophobicContact CB-CZ3 4.21Å; F448-W500 AromaticContact CD1-CZ2 3.78Å; F448-W500 HydrophobicContact CD1-CZ2 3.78Å; F448-W500 HydrophobicContact CD2-CZ2 4.44Å; F448-W500 AromaticContact CD2-NE1 3.61Å; F448-W500 AromaticContact CG-CE2 3.65Å; F448-W500 HydrophobicContact CG-CH2 4.49Å; F448-W500 AromaticContact CG-CZ2 3.64Å; F448-W500 HydrophobicContact CG-CZ2 3.64Å; F448-W500 AromaticContact CG-NE1 3.66Å; F448-W500 PolarHBondContact N-O 3.22Å; F448-W500 PolarHBondContact O-N 3.42Å; F448-W500 VanDerWaalsContact O-N 3.08Å; V450-W500 HydrophobicContact CG2-CH2 4.07Å; V450-W500 HydrophobicContact CG2-CZ3 3.61Å; V455-W500 HydrophobicContact CB-CH2 4.43Å; V455-W500 HydrophobicContact CG1-CH2 3.57Å; V455-W500 HydrophobicContact CG1-CZ2 3.92Å; V455-W500 HydrophobicContact CG2-CH2 4.07Å; V472-W500 HydrophobicContact CG1-CZ2 4.29Å; W500-S509 CarbonylContact C-O 3.56Å; W500-S509 VanDerWaalsContact CA-O 3.24Å; W500-S509 WeakPolarHBondContact CA-O 3.23Å; W500-S509 WeakPolarHBondContact CB-O 3.27Å; W500-T528 HydrophobicContact CB-CG2 3.9Å; W500-T528 HydrophobicContact CD2-CG2 4.41Å; W500-T528 HydrophobicContact CE3-CG2 4.4Å; W500-T528 VanDerWaalsContact CE3-OG1 3.31Å; W500-T528 HydrophobicContact CG-CG2 4.22Å; W500-L531 HydrophobicContact CH2-CD1 3.84Å; W500-L531 HydrophobicContact CZ2-CD1 3.68Å
501T97.9Very high96.3Very high1 Ų122.2 Ų22.21%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-108.3158.9173.2600000111.3I388 L390 T442 T445 N446 I447 L508 S509 V511I388-T501 HydrophobicContact CD1-CG2 4.3Å; L390-T501 HydrophobicContact CD1-CG2 4.29Å; T442-T501 HydrophobicContact CG2-CG2 3.67Å; T445-T501 VanDerWaalsContact OG1-CB 3.22Å; T445-T501 WeakPolarHBondContact OG1-CB 3.29Å; T445-T501 WeakPolarHBondContact OG1-CG2 3.42Å; N446-T501 CarbonylContact O-C 3.58Å; N446-T501 VanDerWaalsContact O-CA 3.24Å; N446-T501 WeakPolarHBondContact O-CA 3.25Å; I447-T501 HydrophobicContact CG1-CG2 4.3Å; T501-L508 CarbonylContact O-C 3.49Å; T501-L508 VanDerWaalsContact O-CA 3.31Å; T501-L508 WeakPolarHBondContact O-CA 3.32Å; T501-S509 PolarHBondContact N-O 2.9Å; T501-S509 PolarHBondContact O-N 3.18Å; T501-S509 WeakPolarHBondContact OG1-CB 3.13Å; T501-S509 PolarHBondContact OG1-O 3.41Å; T501-V511 HydrophobicContact CG2-CG2 4.03Å
502T97Very high96.3Very high2 Ų219.3 Ų19.31%0.01211%0.108CC..EExtended strand (participates in β ladder)trans-132.4131.4179.558.20000113.2T445 N446 F448 V472 E507 L508T445-T502 WeakPolarHBondContact CA-O 3.4Å; T445-T502 VanDerWaalsContact CB-O 3.24Å; T445-T502 WeakPolarHBondContact CB-O 3.23Å; N446-T502 PolarHBondContact N-O 3.14Å; N446-T502 PolarHBondContact O-N 3Å; N446-T502 PolarHBondContact O-OG1 3.26Å; F448-T502 HydrophobicContact CD2-CG2 3.74Å; F448-T502 HydrophobicContact CE2-CG2 3.57Å; F448-T502 WeakPolarHBondContact CE2-OG1 3.4Å; V472-T502 HydrophobicContact CB-CG2 4.4Å; V472-T502 HydrophobicContact CG1-CG2 4.49Å; V472-T502 HydrophobicContact CG2-CG2 3.97Å; T502-E507 VanDerWaalsContact CA-O 3.22Å; T502-E507 WeakPolarHBondContact CA-O 3.21Å; T502-L508 HydrophobicContact CG2-CG 4.24Å
503G93.9Very high96.3Very high13 Ų1320.7 Ų20.713%0.13411%0.113CC..EExtended strand (participates in β ladder)trans-175.6165.6173.700000112.6M505 G506 E507G503-M505 VanDerWaalsContact C-N 3.27Å; G503-M505 PolarHBondContact O-N 3.29Å; G503-G506 PolarHBondContact O-N 2.96Å; G503-E507 PolarHBondContact N-O 3.11Å; G503-E507 VanDerWaalsContact O-CA 3.28Å; G503-E507 WeakPolarHBondContact O-CA 3.41Å; G503-E507 PolarHBondContact O-N 2.78Å
504T91Very high96.3Very high26 Ų2620.7 Ų20.716%0.1611%0.113CC..THydrogen-bonded Turntrans-56-37.3-174.3-53.40000113.8G291 R293G291-T504 VanDerWaalsContact O-CG2 3.23Å; G291-T504 WeakPolarHBondContact O-CG2 3.29Å; G291-T504 PolarHBondContact O-OG1 3.44Å; G291-T504 VanDerWaalsContact O-OG1 3.05Å; R293-T504 HydrophobicContact CB-CG2 3.73Å
505M88.4Confident96.3Very high30 Ų3021.3 Ų21.315%0.14812%0.118CC..THydrogen-bonded Turntrans-91.4-28.5-176-74.8-54.8-49.600114.9H345 K378 P379 P380 V381 G503H345-M505 HydrophobicContact CB-SD 3.54Å; H345-M505 VanDerWaalsContact CB-SD 3.54Å; K378-M505 HydrophobicContact CB-CE 4.09Å; K378-M505 HydrophobicContact CD-CE 3.53Å; K378-M505 HydrophobicContact CD-SD 3.93Å; K378-M505 HydrophobicContact CG-CE 3.51Å; K378-M505 HydrophobicContact CG-SD 4.44Å; P379-M505 WeakPolarHBondContact O-CE 3.34Å; P380-M505 WeakPolarHBondContact CA-O 3.29Å; V381-M505 HydrophobicContact CG2-CB 4.05Å; V381-M505 HydrophobicContact CG2-CE 3.72Å; V381-M505 PolarHBondContact N-O 3.39Å; G503-M505 VanDerWaalsContact C-N 3.27Å; G503-M505 PolarHBondContact O-N 3.29Å
506G86.6Confident96.2Very high3 Ų320 Ų203%0.03112%0.122CC..THydrogen-bonded Turntrans-94.7-17.917900000113.4N384 G503 L508 S509N384-G506 PolarHBondContact ND2-O 2.79Å; N384-G506 PolarHBondContact OD1-O 2.8Å; N384-G506 VanDerWaalsContact OD1-O 3.11Å; G503-G506 PolarHBondContact O-N 2.96Å; G506-L508 PolarHBondContact O-N 2.77Å; G506-L508 VanDerWaalsContact O-N 3.13Å; G506-S509 WeakPolarHBondContact CA-OG 3.47Å; G506-S509 PolarHBondContact O-OG 3.13Å
507E93.4Very high96.2Very high35 Ų3525.9 Ų25.916%0.16414%0.143CC..EExtended strand (participates in β ladder)trans57.5-107.7-169.3-54.7179.5164.200110.8Y295 T502 G503 Y535Y295-E507 WeakPolarHBondContact CE1-OE1 3.13Å; Y295-E507 PolarHBondContact OH-OE1 3.01Å; T502-E507 VanDerWaalsContact CA-O 3.22Å; T502-E507 WeakPolarHBondContact CA-O 3.21Å; G503-E507 PolarHBondContact N-O 3.11Å; G503-E507 VanDerWaalsContact O-CA 3.28Å; G503-E507 WeakPolarHBondContact O-CA 3.41Å; G503-E507 PolarHBondContact O-N 2.78Å; E507-Y535 HydrophobicContact CB-CD1 4.2Å; E507-Y535 HydrophobicContact CB-CE1 3.84Å; E507-Y535 HydrophobicContact CG-CD1 4.49Å; E507-Y535 HydrophobicContact CG-CE1 3.84Å
508L96.2Very high96.2Very high2 Ų226.5 Ų26.51%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-118.792.8173.6-7572000108.4N384 V472 T501 T502 G506 P510 L531 Q532 Y535N384-L508 PolarHBondContact OD1-O 2.81Å; V472-L508 HydrophobicContact CG1-CD2 4.36Å; V472-L508 HydrophobicContact CG2-CD1 3.61Å; V472-L508 HydrophobicContact CG2-CD2 3.92Å; V472-L508 HydrophobicContact CG2-CG 3.87Å; T501-L508 CarbonylContact O-C 3.49Å; T501-L508 VanDerWaalsContact O-CA 3.31Å; T501-L508 WeakPolarHBondContact O-CA 3.32Å; T502-L508 HydrophobicContact CG2-CG 4.24Å; G506-L508 PolarHBondContact O-N 2.77Å; G506-L508 VanDerWaalsContact O-N 3.13Å; L508-P510 WeakPolarHBondContact O-CD 3.49Å; L508-L531 HydrophobicContact CD2-CB 3.65Å; L508-Q532 HydrophobicContact CB-CG 3.87Å; L508-Q532 PolarHBondContact O-NE2 2.8Å; L508-Y535 HydrophobicContact CD1-CD1 4.01Å; L508-Y535 HydrophobicContact CD1-CD2 3.85Å; L508-Y535 HydrophobicContact CD1-CE2 4.36Å; L508-Y535 HydrophobicContact CD1-CG 3.65Å
509S96.8Very high96.2Very high0 Ų025.9 Ų25.90%015%0.146CC..EExtended strand (participates in β ladder)trans-94114.9-175.6-51.50000111.2Y382 N384 W500 T501 G506Y382-S509 WeakPolarHBondContact CB-OG 3.09Å; Y382-S509 WeakPolarHBondContact CD2-OG 3.47Å; N384-S509 VanDerWaalsContact OD1-CA 3.27Å; N384-S509 WeakPolarHBondContact OD1-CA 3.19Å; N384-S509 WeakPolarHBondContact OD1-CB 3.37Å; N384-S509 PolarHBondContact OD1-OG 3Å; W500-S509 CarbonylContact C-O 3.56Å; W500-S509 VanDerWaalsContact CA-O 3.24Å; W500-S509 WeakPolarHBondContact CA-O 3.23Å; W500-S509 WeakPolarHBondContact CB-O 3.27Å; T501-S509 PolarHBondContact N-O 2.9Å; T501-S509 PolarHBondContact O-N 3.18Å; T501-S509 WeakPolarHBondContact OG1-CB 3.13Å; T501-S509 PolarHBondContact OG1-O 3.41Å; G506-S509 WeakPolarHBondContact CA-OG 3.47Å; G506-S509 PolarHBondContact O-OG 3.13Å
510P97.8Very high96.2Very high3 Ų327.8 Ų27.82%0.01917%0.167CC..EExtended strand (participates in β ladder)trans-65.2145.7-178.3-18.532.2000111.4G387 I388 L508 V524 T528G387-P510 CarbonylContact C-O 3.43Å; G387-P510 WeakPolarHBondContact CA-O 3.37Å; I388-P510 WeakPolarHBondContact CG1-O 3.46Å; I388-P510 PolarHBondContact N-O 3.07Å; L508-P510 WeakPolarHBondContact O-CD 3.49Å; P510-V524 HydrophobicContact CB-CB 4.18Å; P510-V524 HydrophobicContact CB-CG1 3.92Å; P510-V524 HydrophobicContact CB-CG2 3.67Å; P510-V524 HydrophobicContact CG-CB 4.09Å; P510-V524 HydrophobicContact CG-CG1 3.54Å; P510-V524 HydrophobicContact CG-CG2 3.51Å; P510-T528 HydrophobicContact CB-CG2 4.24Å; P510-T528 HydrophobicContact CG-CG2 3.96Å
511V98.3Very high96.1Very high6 Ų635 Ų354%0.03620%0.2CC..EExtended strand (participates in β ladder)trans-112.6118.5177.6177.40000109.1I388 L390 V499 T501 I514I388-V511 HydrophobicContact CD1-CG2 4.21Å; I388-V511 HydrophobicContact CG1-CG2 3.86Å; I388-V511 WeakPolarHBondContact O-CA 3.49Å; L390-V511 HydrophobicContact CB-CG1 4.41Å; L390-V511 HydrophobicContact CD1-CB 4.37Å; L390-V511 HydrophobicContact CD1-CG1 3.81Å; L390-V511 HydrophobicContact CD1-CG2 3.6Å; L390-V511 HydrophobicContact CG-CG1 3.8Å; L390-V511 HydrophobicContact CG-CG2 4.07Å; V499-V511 HydrophobicContact CB-CB 3.91Å; V499-V511 HydrophobicContact CB-CG1 4.48Å; V499-V511 HydrophobicContact CG1-CB 3.73Å; V499-V511 HydrophobicContact CG1-CG1 4.23Å; V499-V511 HydrophobicContact CG1-CG2 3.86Å; V499-V511 PolarHBondContact O-N 3.06Å; T501-V511 HydrophobicContact CG2-CG2 4.03Å; V511-I514 HydrophobicContact CG1-CD1 4.07Å; V511-I514 HydrophobicContact CG1-CG1 3.6Å
512V98.1Very high96Very high21 Ų2136.6 Ų36.613%0.12722%0.217CC..EExtended strand (participates in β ladder)trans-98-18.6-175.3-64.80000113.4G386 I388 V389 I519 G522G386-V512 WeakPolarHBondContact O-CG1 3.41Å; I388-V512 PolarHBondContact O-N 2.99Å; V389-V512 HydrophobicContact CG2-CG2 4.23Å; V512-I519 PolarHBondContact O-N 3.43Å; V512-G522 WeakPolarHBondContact CG1-O 3.32Å
513K98.5Very high96Very high81 Ų8142.7 Ų42.735%0.35224%0.243SC..EExtended strand (participates in β ladder)trans-153137.2-179-178.9179.3-68.6177.90111.2V389 L390 R517V389-K513 WeakPolarHBondContact CA-O 3.43Å; V389-K513 HydrophobicContact CG1-CB 3.98Å; V389-K513 HydrophobicContact CG1-CD 4.15Å; V389-K513 HydrophobicContact CG1-CG 4.12Å; V389-K513 HydrophobicContact CG2-CB 4.21Å; L390-K513 PolarHBondContact N-O 3.49Å; K513-R517 CarbonylContact C-O 3.55Å; K513-R517 VanDerWaalsContact CA-O 3.22Å; K513-R517 WeakPolarHBondContact CA-O 3.37Å; K513-R517 WeakPolarHBondContact CG-O 3.4Å
514I98.7Very high96.1Very high0 Ų043 Ų430%024%0.243CC..EExtended strand (participates in β ladder)trans-129.4125.7175.7-57.9175000108.6L390 I431 F493 V499 V511 G516 R517 I519L390-I514 HydrophobicContact CB-CG1 4.37Å; L390-I514 WeakPolarHBondContact O-CA 3.42Å; I431-I514 HydrophobicContact CD1-CD1 3.99Å; I431-I514 HydrophobicContact CD1-CG1 4.26Å; I431-I514 HydrophobicContact CD1-CG2 3.56Å; F493-I514 HydrophobicContact CB-CD1 4.26Å; V499-I514 HydrophobicContact CG1-CD1 4.2Å; V499-I514 HydrophobicContact CG2-CD1 4.22Å; V511-I514 HydrophobicContact CG1-CD1 4.07Å; V511-I514 HydrophobicContact CG1-CG1 3.6Å; I514-G516 PolarHBondContact O-N 3.06Å; I514-G516 VanDerWaalsContact O-N 3.16Å; I514-R517 PolarHBondContact N-O 3.35Å; I514-R517 WeakPolarHBondContact O-CB 3.29Å; I514-R517 PolarHBondContact O-N 2.94Å; I514-I519 HydrophobicContact CB-CD1 4.11Å; I514-I519 HydrophobicContact CB-CG1 4.41Å; I514-I519 HydrophobicContact CD1-CD1 3.83Å; I514-I519 HydrophobicContact CD1-CG1 3.94Å; I514-I519 HydrophobicContact CG1-CD1 3.9Å; I514-I519 HydrophobicContact CG1-CG1 3.8Å
515D98.3Very high96.4Very high45 Ų4542.3 Ų42.324%0.24124%0.24CC..THydrogen-bonded Turntrans52.739176.6-61.9-41.5000113.2L390 V391 T392 H494 R517L390-D515 PolarHBondContact O-N 2.75Å; V391-D515 WeakPolarHBondContact CA-OD1 3.31Å; T392-D515 PolarHBondContact N-OD1 3Å; T392-D515 PolarHBondContact OG1-OD1 3.16Å; T392-D515 PolarHBondContact OG1-OD2 3.38Å; H494-D515 IonicContact CD2-OD2 2.77Å; H494-D515 IonicContact CE1-OD2 3.2Å; H494-D515 IonicContact NE2-OD2 2.75Å; H494-D515 PolarHBondContact NE2-OD2 2.97Å; D515-R517 VanDerWaalsContact C-N 3.26Å; D515-R517 PolarHBondContact O-N 3.49Å; D515-R517 PolarHBondContact O-NH1 2.97Å
516G97.6Very high96.8Very high60 Ų6045.9 Ų45.962%0.61927%0.265SS*.THydrogen-bonded Turntrans81.5-9.4-177.200000115.5I514I514-G516 PolarHBondContact O-N 3.06Å; I514-G516 VanDerWaalsContact O-N 3.16Å
517R98.4Very high97.3Very high126 Ų12646.2 Ų46.248%0.47527%0.267SS..EExtended strand (participates in β ladder)trans-93.3128.8-178.1-58.5169.6-174.783.92.5110.7H494 K513 I514 D515H494-R517 PolarHBondContact CE1-NH1 3.45Å; K513-R517 CarbonylContact C-O 3.55Å; K513-R517 VanDerWaalsContact CA-O 3.22Å; K513-R517 WeakPolarHBondContact CA-O 3.37Å; K513-R517 WeakPolarHBondContact CG-O 3.4Å; I514-R517 PolarHBondContact N-O 3.35Å; I514-R517 WeakPolarHBondContact O-CB 3.29Å; I514-R517 PolarHBondContact O-N 2.94Å; D515-R517 VanDerWaalsContact C-N 3.26Å; D515-R517 PolarHBondContact O-N 3.49Å; D515-R517 PolarHBondContact O-NH1 2.97Å
518V98.5Very high97.5Very high83 Ų8344.6 Ų44.650%0.50326%0.259SS..EExtended strand (participates in β ladder)trans-67.4131.2175.7177.90000109.3G522V518-G522 VanDerWaalsContact CG1-CA 3.42Å; V518-G522 VanDerWaalsContact CG1-N 3.34Å
519I98.5Very high97.5Very high4 Ų448 Ų482%0.02127%0.272CS..PPolyproline II helixtrans-91.5130.9175.5-58.7-49.7000109F493 A496 V499 V512 I514 E521 G522F493-I519 WeakPolarHBondContact O-CD1 3.26Å; A496-I519 HydrophobicContact CB-CG2 4.48Å; V499-I519 HydrophobicContact CB-CG2 4.13Å; V499-I519 HydrophobicContact CG2-CG2 3.74Å; V512-I519 PolarHBondContact O-N 3.43Å; I514-I519 HydrophobicContact CB-CD1 4.11Å; I514-I519 HydrophobicContact CB-CG1 4.41Å; I514-I519 HydrophobicContact CD1-CD1 3.83Å; I514-I519 HydrophobicContact CD1-CG1 3.94Å; I514-I519 HydrophobicContact CG1-CD1 3.9Å; I514-I519 HydrophobicContact CG1-CG1 3.8Å; I519-E521 PolarHBondContact O-N 3.47Å; I519-E521 VanDerWaalsContact O-N 3.12Å; I519-G522 PolarHBondContact O-N 2.97Å
520G97.2Very high97.6Very high43 Ų4353 Ų5344%0.44329%0.291SS..THydrogen-bonded Turntrans50-118.5-173.700000111.7A496 D497A496-G520 PolarHBondContact O-N 3.32Å; D497-G520 WeakPolarHBondContact O-CA 3.44Å
521E96.3Very high97.6Very high151 Ų15152.9 Ų52.971%0.70629%0.29SS*.THydrogen-bonded Turntrans-100.311.2177.5-63.4-178.3-169.100113.5I519 K523I519-E521 PolarHBondContact O-N 3.47Å; I519-E521 VanDerWaalsContact O-N 3.12Å; E521-K523 VanDerWaalsContact C-N 3.28Å; E521-K523 HydrophobicContact CB-CD 4.4Å; E521-K523 HydrophobicContact CB-CG 4.2Å; E521-K523 PolarHBondContact O-N 2.91Å; E521-K523 WeakPolarHBondContact OE2-CE 3.46Å; E521-K523 IonicContact OE2-NZ 2.95Å; E521-K523 PolarHBondContact OE2-NZ 2.95Å
522G96.6Very high97.5Very high34 Ų3453.6 Ų53.635%0.35129%0.293SS..SBendtrans71.122-178.700000114.2V512 V518 I519V512-G522 WeakPolarHBondContact CG1-O 3.32Å; V518-G522 VanDerWaalsContact CG1-CA 3.42Å; V518-G522 VanDerWaalsContact CG1-N 3.34Å; I519-G522 PolarHBondContact O-N 2.97Å
523K96.4Very high97.4Very high130 Ų13056.8 Ų56.857%0.56531%0.309SS*.SBendtrans-138.4164.6178.368.8-173.6-179.5-164.10109.8E521 G525E521-K523 VanDerWaalsContact C-N 3.28Å; E521-K523 HydrophobicContact CB-CD 4.4Å; E521-K523 HydrophobicContact CB-CG 4.2Å; E521-K523 PolarHBondContact O-N 2.91Å; E521-K523 WeakPolarHBondContact OE2-CE 3.46Å; E521-K523 IonicContact OE2-NZ 2.95Å; E521-K523 PolarHBondContact OE2-NZ 2.95Å; K523-G525 PolarHBondContact O-N 3.44Å
524V96.9Very high97.4Very high21 Ų2153.4 Ų53.413%0.12730%0.297CS..  trans-61.1123.7175.8-170.50000110.3D385 P510 T528 R529D385-V524 WeakPolarHBondContact O-CG2 3.47Å; P510-V524 HydrophobicContact CB-CB 4.18Å; P510-V524 HydrophobicContact CB-CG1 3.92Å; P510-V524 HydrophobicContact CB-CG2 3.67Å; P510-V524 HydrophobicContact CG-CB 4.09Å; P510-V524 HydrophobicContact CG-CG1 3.54Å; P510-V524 HydrophobicContact CG-CG2 3.51Å; V524-T528 HydrophobicContact CG1-CG2 4.07Å; V524-R529 HydrophobicContact CG1-CB 4.49Å
525G96.3Very high97.3Very high10 Ų1053.5 Ų53.510%0.10330%0.297CS..  trans-83.1165.6-17900000114E498 K523 V527 T528 R529E498-G525 VanDerWaalsContact CD-C 3.45Å; E498-G525 WeakPolarHBondContact OE1-CA 3.29Å; E498-G525 VanDerWaalsContact OE2-C 3.24Å; E498-G525 WeakPolarHBondContact OE2-CA 3.43Å; K523-G525 PolarHBondContact O-N 3.44Å; G525-V527 PolarHBondContact O-N 3.27Å; G525-T528 PolarHBondContact O-N 3.03Å; G525-R529 WeakPolarHBondContact O-CB 3.47Å; G525-R529 PolarHBondContact O-N 3.17Å
526P96.9Very high97.1Very high105 Ų10557.5 Ų57.568%0.68231%0.312SS*.Hα-helixtrans-62.9-35.7-175.324.7-35.7000114.1E498 R530E498-P526 WeakPolarHBondContact OE1-CD 3.48Å; E498-P526 WeakPolarHBondContact OE1-CG 3.41Å; E498-P526 VanDerWaalsContact OE1-N 3.14Å; P526-R530 WeakPolarHBondContact O-CB 3.22Å; P526-R530 PolarHBondContact O-N 3.18Å
527V97.5Very high97Very high10 Ų1062.4 Ų62.46%0.06132%0.317CS..Hα-helixtrans-67.8-48.7179.4179.20000109.8V450 V455 F481 E498 G525 R529 R530 L531V450-V527 HydrophobicContact CG1-CG2 4.34Å; V450-V527 HydrophobicContact CG2-CB 3.9Å; V450-V527 HydrophobicContact CG2-CG1 3.77Å; V450-V527 HydrophobicContact CG2-CG2 4.17Å; V455-V527 HydrophobicContact CG2-CG1 3.98Å; F481-V527 HydrophobicContact CD1-CG1 4.4Å; F481-V527 HydrophobicContact CD1-CG2 4.5Å; F481-V527 HydrophobicContact CD2-CG1 4.34Å; F481-V527 HydrophobicContact CE1-CB 4.47Å; F481-V527 HydrophobicContact CE1-CG1 4.1Å; F481-V527 HydrophobicContact CE1-CG2 3.74Å; F481-V527 HydrophobicContact CE2-CG1 4.03Å; F481-V527 HydrophobicContact CZ-CB 4.29Å; F481-V527 HydrophobicContact CZ-CG1 3.89Å; F481-V527 HydrophobicContact CZ-CG2 3.95Å; E498-V527 WeakPolarHBondContact OE1-CB 3.3Å; E498-V527 WeakPolarHBondContact OE1-CG2 3.48Å; E498-V527 PolarHBondContact OE1-N 3.29Å; E498-V527 PolarHBondContact OE2-N 2.94Å; G525-V527 PolarHBondContact O-N 3.27Å; V527-R529 VanDerWaalsContact C-N 3.34Å; V527-R529 PolarHBondContact O-N 2.91Å; V527-R530 PolarHBondContact O-N 2.67Å; V527-L531 HydrophobicContact CG1-CD1 4.04Å; V527-L531 WeakPolarHBondContact O-CG 3.44Å; V527-L531 PolarHBondContact O-N 3.14Å
528T97.4Very high96.9Very high1 Ų159 Ų591%0.00631%0.307CS..Hα-helixtrans-57.3-47.4177.1-53.70000110.8E498 W500 P510 V524 G525 R530 L531 Q532E498-T528 VanDerWaalsContact OE2-CB 3.31Å; E498-T528 WeakPolarHBondContact OE2-CB 3.23Å; E498-T528 PolarHBondContact OE2-N 3.45Å; E498-T528 PolarHBondContact OE2-OG1 3.41Å; W500-T528 HydrophobicContact CB-CG2 3.9Å; W500-T528 HydrophobicContact CD2-CG2 4.41Å; W500-T528 HydrophobicContact CE3-CG2 4.4Å; W500-T528 VanDerWaalsContact CE3-OG1 3.31Å; W500-T528 HydrophobicContact CG-CG2 4.22Å; P510-T528 HydrophobicContact CB-CG2 4.24Å; P510-T528 HydrophobicContact CG-CG2 3.96Å; V524-T528 HydrophobicContact CG1-CG2 4.07Å; G525-T528 PolarHBondContact O-N 3.03Å; T528-R530 VanDerWaalsContact C-N 3.34Å; T528-R530 PolarHBondContact O-N 3.48Å; T528-L531 PolarHBondContact O-N 2.91Å; T528-Q532 WeakPolarHBondContact O-CG 3.2Å; T528-Q532 PolarHBondContact O-N 3.35Å
529R97.1Very high96.7Very high73 Ų7355.1 Ų55.128%0.27528%0.284SS..Hα-helixtrans-62.5-40.2179.7-167.264.160.4177.315.8112.6N384 D385 V524 G525 V527 Q532 N533N384-R529 PolarHBondContact O-NH1 2.78Å; D385-R529 PolarHBondContact O-NH2 2.85Å; D385-R529 IonicContact OD1-CZ 2.81Å; D385-R529 IonicContact OD1-NH1 3.15Å; D385-R529 PolarHBondContact OD1-NH1 2.92Å; D385-R529 IonicContact OD1-NH2 2.73Å; V524-R529 HydrophobicContact CG1-CB 4.49Å; G525-R529 WeakPolarHBondContact O-CB 3.47Å; G525-R529 PolarHBondContact O-N 3.17Å; V527-R529 VanDerWaalsContact C-N 3.34Å; V527-R529 PolarHBondContact O-N 2.91Å; R529-Q532 PolarHBondContact O-N 2.97Å; R529-N533 PolarHBondContact O-N 3.06Å; R529-N533 VanDerWaalsContact O-N 3.09Å; R529-N533 PolarHBondContact O-ND2 2.79Å
530R97.6Very high96.4Very high107 Ų10757.3 Ų57.340%0.40430%0.296SS..Hα-helixtrans-63.5-44176.4-176.4170174.4-164.3-9.1111.3E479 P526 V527 T528 N533 A534E479-R530 PolarHBondContact O-NH2 3.48Å; E479-R530 IonicContact OE2-CZ 3.5Å; E479-R530 IonicContact OE2-NE 3.41Å; E479-R530 PolarHBondContact OE2-NE 3.24Å; E479-R530 IonicContact OE2-NH2 3.67Å; E479-R530 PolarHBondContact OE2-NH2 2.97Å; P526-R530 WeakPolarHBondContact O-CB 3.22Å; P526-R530 PolarHBondContact O-N 3.18Å; V527-R530 PolarHBondContact O-N 2.67Å; T528-R530 VanDerWaalsContact C-N 3.34Å; T528-R530 PolarHBondContact O-N 3.48Å; R530-N533 PolarHBondContact O-N 2.73Å; R530-A534 PolarHBondContact O-N 2.77Å
531L97.9Very high96.1Very high0 Ų058.1 Ų58.10%030%0.304CS..Hα-helixtrans-68.2-39.1177.5-67.4171.8000112.6L475 V476 E479 W500 L508 V527 T528 N533 A534 Y535L475-L531 HydrophobicContact CB-CD2 4.13Å; V476-L531 HydrophobicContact CG2-CD1 3.76Å; V476-L531 HydrophobicContact CG2-CD2 3.96Å; E479-L531 HydrophobicContact CG-CD2 4.28Å; W500-L531 HydrophobicContact CH2-CD1 3.84Å; W500-L531 HydrophobicContact CZ2-CD1 3.68Å; L508-L531 HydrophobicContact CD2-CB 3.65Å; V527-L531 HydrophobicContact CG1-CD1 4.04Å; V527-L531 WeakPolarHBondContact O-CG 3.44Å; V527-L531 PolarHBondContact O-N 3.14Å; T528-L531 PolarHBondContact O-N 2.91Å; L531-N533 VanDerWaalsContact C-N 3.34Å; L531-N533 PolarHBondContact O-N 3.11Å; L531-A534 PolarHBondContact O-N 3Å; L531-Y535 VanDerWaalsContact O-CB 3.31Å; L531-Y535 WeakPolarHBondContact O-CB 3.42Å; L531-Y535 PolarHBondContact O-N 2.97Å
532Q96.7Very high96Very high20 Ų2052.5 Ų52.59%0.09328%0.282CS..Hα-helixtrans-56.5-47.6172.2-78.1177.8-26.900111.3N384 L508 T528 R529 A534 Y535 K536N384-Q532 PolarHBondContact O-NE2 3.36Å; L508-Q532 HydrophobicContact CB-CG 3.87Å; L508-Q532 PolarHBondContact O-NE2 2.8Å; T528-Q532 WeakPolarHBondContact O-CG 3.2Å; T528-Q532 PolarHBondContact O-N 3.35Å; R529-Q532 PolarHBondContact O-N 2.97Å; Q532-A534 PolarHBondContact O-N 2.63Å; Q532-Y535 PolarHBondContact O-N 2.9Å; Q532-K536 WeakPolarHBondContact O-CB 3.16Å; Q532-K536 PolarHBondContact O-N 3.4Å
533N96.8Very high95.9Very high88 Ų8852.4 Ų52.447%0.47128%0.28SS..Hα-helixtrans-63.6-40.1177.9-73.7-32.2000112.3R529 R530 L531 K537R529-N533 PolarHBondContact O-N 3.06Å; R529-N533 VanDerWaalsContact O-N 3.09Å; R529-N533 PolarHBondContact O-ND2 2.79Å; R530-N533 PolarHBondContact O-N 2.73Å; L531-N533 VanDerWaalsContact C-N 3.34Å; L531-N533 PolarHBondContact O-N 3.11Å; N533-K537 WeakPolarHBondContact O-CG 3.39Å; N533-K537 PolarHBondContact O-N 3.29Å
534A97.4Very high96Very high10 Ų1048 Ų488%0.08326%0.264CS..Hα-helixtrans-66.4-41.9176.200000111.7L475 E479 R530 L531 Q532 K537 L538L475-A534 HydrophobicContact CD1-CB 4.47Å; L475-A534 HydrophobicContact CD2-CB 4.23Å; E479-A534 HydrophobicContact CG-CB 4.35Å; R530-A534 PolarHBondContact O-N 2.77Å; L531-A534 PolarHBondContact O-N 3Å; Q532-A534 PolarHBondContact O-N 2.63Å; A534-K537 PolarHBondContact O-N 2.79Å; A534-L538 PolarHBondContact O-N 3.25Å; A534-L538 VanDerWaalsContact O-N 3.08Å
535Y96.7Very high96Very high3 Ų351.1 Ų51.11%0.01229%0.285CS..Hα-helixtrans-62.9-47.6177.1-173.9-95.6000111.6F300 T468 T471 L475 E507 L508 L531 Q532 K537 L538 T539F300-Y535 HydrophobicContact CE1-CE2 4.22Å; F300-Y535 HydrophobicContact CZ-CE2 4.29Å; T468-Y535 HydrophobicContact CG2-CE2 4Å; T471-Y535 HydrophobicContact CG2-CD2 4.27Å; T471-Y535 HydrophobicContact CG2-CE2 4.09Å; L475-Y535 HydrophobicContact CD1-CD2 4.03Å; E507-Y535 HydrophobicContact CB-CD1 4.2Å; E507-Y535 HydrophobicContact CB-CE1 3.84Å; E507-Y535 HydrophobicContact CG-CD1 4.49Å; E507-Y535 HydrophobicContact CG-CE1 3.84Å; L508-Y535 HydrophobicContact CD1-CD1 4.01Å; L508-Y535 HydrophobicContact CD1-CD2 3.85Å; L508-Y535 HydrophobicContact CD1-CE2 4.36Å; L508-Y535 HydrophobicContact CD1-CG 3.65Å; L531-Y535 VanDerWaalsContact O-CB 3.31Å; L531-Y535 WeakPolarHBondContact O-CB 3.42Å; L531-Y535 PolarHBondContact O-N 2.97Å; Q532-Y535 PolarHBondContact O-N 2.9Å; Y535-K537 VanDerWaalsContact C-N 3.33Å; Y535-K537 PolarHBondContact O-N 2.9Å; Y535-L538 WeakPolarHBondContact O-CA 3.37Å; Y535-L538 WeakPolarHBondContact O-CB 3.03Å; Y535-L538 PolarHBondContact O-N 3.36Å; Y535-T539 HydrophobicContact CD1-CG2 3.9Å; Y535-T539 HydrophobicContact CE1-CG2 3.43Å; Y535-T539 VanDerWaalsContact CE1-CG2 3.43Å; Y535-T539 HydrophobicContact CE2-CG2 4.25Å; Y535-T539 HydrophobicContact CG-CG2 4.48Å; Y535-T539 PolarHBondContact O-N 3.15Å; Y535-T539 PolarHBondContact O-OG1 3.18Å
536K94.6Very high96.1Very high129 Ų12950.8 Ų50.856%0.56128%0.281SS*.Hα-helixtrans-57.5-43176.6-176.5174.6-177.91740112.7Q532 L538 T539 D540Q532-K536 WeakPolarHBondContact O-CB 3.16Å; Q532-K536 PolarHBondContact O-N 3.4Å; K536-L538 VanDerWaalsContact C-N 3.29Å; K536-L538 PolarHBondContact O-N 3.12Å; K536-T539 PolarHBondContact O-OG1 3.26Å; K536-T539 VanDerWaalsContact O-OG1 3.09Å; K536-D540 WeakPolarHBondContact O-CB 3.36Å; K536-D540 PolarHBondContact O-N 3.27Å; K536-D540 VanDerWaalsContact O-N 3.15Å
537K95.7Very high96Very high163 Ų16350.1 Ų50.171%0.70928%0.277SS*.Hα-helixtrans-62.5-37.9175.2-72.4173.6-175179.30112N533 A534 Y535N533-K537 WeakPolarHBondContact O-CG 3.39Å; N533-K537 PolarHBondContact O-N 3.29Å; A534-K537 PolarHBondContact O-N 2.79Å; Y535-K537 VanDerWaalsContact C-N 3.33Å; Y535-K537 PolarHBondContact O-N 2.9Å
538L96.6Very high95.6Very high53 Ų5353.5 Ų53.528%0.27730%0.297SS..Hα-helixtrans-68.5-49.2178.817865000111.4F300 T471 L475 A534 Y535 K536 D540 G541 S542F300-L538 HydrophobicContact CE2-CD2 4.44Å; F300-L538 HydrophobicContact CE2-CG 4.19Å; F300-L538 HydrophobicContact CZ-CD2 4.3Å; T471-L538 HydrophobicContact CG2-CD2 3.49Å; T471-L538 VanDerWaalsContact CG2-CD2 3.49Å; L475-L538 HydrophobicContact CD1-CD2 4.44Å; L475-L538 HydrophobicContact CD2-CD2 4.38Å; A534-L538 PolarHBondContact O-N 3.25Å; A534-L538 VanDerWaalsContact O-N 3.08Å; Y535-L538 WeakPolarHBondContact O-CA 3.37Å; Y535-L538 WeakPolarHBondContact O-CB 3.03Å; Y535-L538 PolarHBondContact O-N 3.36Å; K536-L538 VanDerWaalsContact C-N 3.29Å; K536-L538 PolarHBondContact O-N 3.12Å; L538-D540 VanDerWaalsContact C-N 3.3Å; L538-D540 PolarHBondContact O-N 2.92Å; L538-G541 PolarHBondContact O-N 3.17Å; L538-G541 VanDerWaalsContact O-N 3.16Å; L538-S542 WeakPolarHBondContact O-CB 3.27Å; L538-S542 PolarHBondContact O-N 3Å; L538-S542 VanDerWaalsContact O-N 3.11Å; L538-S542 PolarHBondContact O-OG 2.77Å
539T95Very high95.2Very high2 Ų257 Ų571%0.01231%0.311CS..Hα-helixtrans-64.6-33.8-177.952.70000112.6Y295 F300 Y535 K536 G541Y295-T539 HydrophobicContact CD2-CG2 4.25Å; Y295-T539 HydrophobicContact CE2-CG2 3.75Å; F300-T539 HydrophobicContact CD1-CG2 4.3Å; F300-T539 HydrophobicContact CD2-CG2 4.03Å; F300-T539 HydrophobicContact CE1-CG2 4.11Å; F300-T539 HydrophobicContact CE2-CG2 3.85Å; F300-T539 HydrophobicContact CG-CG2 4.25Å; F300-T539 HydrophobicContact CZ-CG2 3.88Å; Y535-T539 HydrophobicContact CD1-CG2 3.9Å; Y535-T539 HydrophobicContact CE1-CG2 3.43Å; Y535-T539 VanDerWaalsContact CE1-CG2 3.43Å; Y535-T539 HydrophobicContact CE2-CG2 4.25Å; Y535-T539 HydrophobicContact CG-CG2 4.48Å; Y535-T539 PolarHBondContact O-N 3.15Å; Y535-T539 PolarHBondContact O-OG1 3.18Å; K536-T539 PolarHBondContact O-OG1 3.26Å; K536-T539 VanDerWaalsContact O-OG1 3.09Å; T539-G541 VanDerWaalsContact C-N 3.27Å; T539-G541 PolarHBondContact O-N 3.21Å
540D90.3Very high94.3Very high51 Ų5161.5 Ų61.527%0.27334%0.335SS..Hα-helixtrans-62.2-33.8174.9-85.80.5000113.2K296 K536 L538K296-D540 HydrophobicContact CD-CB 4.38Å; K296-D540 VanDerWaalsContact CE-CG 3.44Å; K296-D540 VanDerWaalsContact CE-OD1 3.28Å; K296-D540 WeakPolarHBondContact CE-OD1 3.32Å; K296-D540 WeakPolarHBondContact CE-OD2 3.31Å; K296-D540 IonicContact NZ-OD1 2.61Å; K296-D540 PolarHBondContact NZ-OD1 2.86Å; K296-D540 IonicContact NZ-OD2 3.47Å; K296-D540 PolarHBondContact NZ-OD2 3.49Å; K536-D540 WeakPolarHBondContact O-CB 3.36Å; K536-D540 PolarHBondContact O-N 3.27Å; K536-D540 VanDerWaalsContact O-N 3.15Å; L538-D540 VanDerWaalsContact C-N 3.3Å; L538-D540 PolarHBondContact O-N 2.92Å
541G90.9Very high93.1Very high60 Ų6062.8 Ų62.862%0.61935%0.346SS*.Hα-helixtrans-103.5-7.4-17100000115.6L538 T539L538-G541 PolarHBondContact O-N 3.17Å; L538-G541 VanDerWaalsContact O-N 3.16Å; T539-G541 VanDerWaalsContact C-N 3.27Å; T539-G541 PolarHBondContact O-N 3.21Å
542S94Very high91.5Very high33 Ų3368.6 Ų68.623%0.23138%0.381CS..  trans-132.6156-168.865.50000113.6F300 L538F300-S542 WeakPolarHBondContact CD2-OG 3.41Å; F300-S542 VanDerWaalsContact CE2-OG 3.24Å; F300-S542 WeakPolarHBondContact CE2-OG 3.44Å; L538-S542 WeakPolarHBondContact O-CB 3.27Å; L538-S542 PolarHBondContact O-N 3Å; L538-S542 VanDerWaalsContact O-N 3.11Å; L538-S542 PolarHBondContact O-OG 2.77Å
543G96.4Very high89.3Confident31 Ų3176.5 Ų76.532%0.3242%0.415SS..SBendtrans127.1169.7-177.600000112.2V299 P545V299-G543 CarbonylContact O-C 3.46Å; V299-G543 WeakPolarHBondContact O-CA 3.35Å; G543-P545 WeakPolarHBondContact O-CD 3.34Å
544V97.9Very high86.9Confident37 Ų3779.4 Ų79.422%0.22443%0.43CS..EExtended strand (participates in β ladder)trans-80.9121.8177.7-178.60000108.9K298 V299 L302 E303 F332K298-V544 CarbonylContact C-O 3.51Å; K298-V544 VanDerWaalsContact CA-O 3.32Å; K298-V544 WeakPolarHBondContact CA-O 3.49Å; V299-V544 PolarHBondContact N-O 3.37Å; V299-V544 PolarHBondContact O-N 3.41Å; L302-V544 HydrophobicContact CB-CB 4.22Å; L302-V544 HydrophobicContact CB-CG2 3.82Å; L302-V544 HydrophobicContact CD2-CB 3.9Å; L302-V544 HydrophobicContact CD2-CG1 4.2Å; L302-V544 HydrophobicContact CD2-CG2 4.07Å; L302-V544 HydrophobicContact CG-CG2 4.4Å; E303-V544 HydrophobicContact CG-CG2 4.35Å; F332-V544 HydrophobicContact CZ-CG1 3.76Å
545P97.3Very high84.3Confident87 Ų8787 Ų8757%0.56547%0.469SS*.EExtended strand (participates in β ladder)trans-63138.3-179.7-21.633.3000112.7G543G543-P545 WeakPolarHBondContact O-CD 3.34Å
546I97.6Very high81.7Confident3 Ų395 Ų952%0.01551%0.506CS..PPolyproline II helixtrans-74.2123.8170.9-59.5166.8000107.9I294 G297 V299 F332 L335 I336 F341 T548 Y549I294-I546 HydrophobicContact CG2-CD1 3.93Å; G297-I546 WeakPolarHBondContact O-CB 3.33Å; G297-I546 WeakPolarHBondContact O-CG1 3.46Å; G297-I546 PolarHBondContact O-N 2.96Å; V299-I546 HydrophobicContact CG2-CG1 4.25Å; F332-I546 HydrophobicContact CD1-CG1 4.42Å; L335-I546 HydrophobicContact CD1-CD1 3.82Å; L335-I546 HydrophobicContact CD1-CG1 4.15Å; I336-I546 HydrophobicContact CD1-CG2 4.05Å; I336-I546 HydrophobicContact CG1-CG2 3.67Å; F341-I546 HydrophobicContact CD1-CB 4.41Å; F341-I546 HydrophobicContact CD1-CD1 4Å; F341-I546 HydrophobicContact CD1-CG2 4.1Å; F341-I546 HydrophobicContact CE1-CG2 3.86Å; I546-T548 VanDerWaalsContact C-N 3.33Å; I546-T548 PolarHBondContact O-N 3.49Å; I546-T548 VanDerWaalsContact O-N 3.09Å; I546-Y549 WeakPolarHBondContact O-CB 3.39Å; I546-Y549 PolarHBondContact O-N 2.97Å
547P95Very high79.4Confident92 Ų9294.3 Ų94.360%0.59752%0.515SS*.THydrogen-bonded Turntrans-53.9-36.1-165.5-32.135.5000117.2F332F332-P547 HydrophobicContact CD2-CG 4.03Å; F332-P547 HydrophobicContact CE2-CG 4.48Å; F332-P547 HydrophobicContact CG-CG 4.26Å
548T89.4Confident76.9Confident81 Ų8192.9 Ų92.950%0.49752%0.524SS..THydrogen-bonded Turntrans-98.33.1-177.263.80000113.5I336 I546 Q550I336-T548 HydrophobicContact CD1-CG2 3.9Å; I336-T548 WeakPolarHBondContact CD1-OG1 3.44Å; I336-T548 WeakPolarHBondContact CG1-OG1 3.33Å; I336-T548 HydrophobicContact CG2-CG2 4.37Å; I546-T548 VanDerWaalsContact C-N 3.33Å; I546-T548 PolarHBondContact O-N 3.49Å; I546-T548 VanDerWaalsContact O-N 3.09Å; T548-Q550 PolarHBondContact O-N 3.34Å
549Y88.3Confident74.8Confident73 Ų73100.4 Ų100.429%0.28657%0.572SS.*  trans-70121.3-179.5178.8-109.3000110.4K296 F341 I546 E551K296-Y549 WeakPolarHBondContact O-CE1 3.31Å; F341-Y549 HydrophobicContact CB-CD2 3.51Å; F341-Y549 HydrophobicContact CB-CE2 3.66Å; F341-Y549 AromaticContact CD1-CD2 3.62Å; F341-Y549 HydrophobicContact CD1-CD2 3.62Å; F341-Y549 HydrophobicContact CD1-CG 4.17Å; F341-Y549 HydrophobicContact CD2-CD2 4.37Å; F341-Y549 HydrophobicContact CE1-CD2 4.43Å; F341-Y549 AromaticContact CG-CD2 3.58Å; F341-Y549 HydrophobicContact CG-CD2 3.58Å; F341-Y549 HydrophobicContact CG-CE2 4.17Å; I546-Y549 WeakPolarHBondContact O-CB 3.39Å; I546-Y549 PolarHBondContact O-N 2.97Å; Y549-E551 HydrophobicContact CE1-CB 4.22Å
550Q79.2Confident73.8Confident169 Ų169105.3 Ų105.379%0.7960%0.599SS**  trans-106.5123.7166.8-65.3-176.5-8.800107.6T548 V552T548-Q550 PolarHBondContact O-N 3.34Å; Q550-V552 PolarHBondContact O-N 2.86Å
551E72.2Confident72.9Confident134 Ų134108.2 Ų108.263%0.62662%0.617SS**  trans-61.8126.8173.2-165.1168.6-15000108.2Y549 K553Y549-E551 HydrophobicContact CE1-CB 4.22Å; E551-K553 PolarHBondContact O-N 3.2Å
552V63.7Low71.9Confident122 Ų122110.8 Ų110.874%0.73962%0.617SS**  trans-66.392.2172.4-1770000106.3Q550 N554Q550-V552 PolarHBondContact O-N 2.86Å; V552-N554 PolarHBondContact O-N 3.27Å
553K51.5Low70.6Confident185 Ų185115.4 Ų115.480%0.80464%0.639SS**  trans-59.9113.8161.5-73.2-175.1178.4-179.20104.9E551 L555E551-K553 PolarHBondContact O-N 3.2Å; K553-L555 PolarHBondContact O-N 2.9Å
554N45.6Very low69Low149 Ų149120.7 Ų120.780%0.79766%0.659SS**  trans-40.8112.3171-75.8-28.1000107.7V552 E556V552-N554 PolarHBondContact O-N 3.27Å; N554-E556 VanDerWaalsContact C-N 3.29Å; N554-E556 PolarHBondContact O-N 2.79Å
555L42.4Very low67.1Low169 Ų169126.3 Ų126.389%0.88569%0.688SS**  trans-61.1103.5164.2-76.5159.4000104.1K553K553-L555 PolarHBondContact O-N 2.9Å
556E41.5Very low64.9Low172 Ų172129.1 Ų129.180%0.80470%0.697SS**  trans-52.2127.1166.2-81.6-177159.600106.6N554 C558N554-E556 VanDerWaalsContact C-N 3.29Å; N554-E556 PolarHBondContact O-N 2.79Å; E556-C558 PolarHBondContact O-N 3.39Å; E556-C558 VanDerWaalsContact O-N 3.09Å
557P46.9Very low62.4Low114 Ų114138.8 Ų138.874%0.7475%0.749SS**  trans-58.6122.4179.222.7-31000107.9V559P557-V559 PolarHBondContact O-N 2.69Å
558C43.2Very low59.7Low133 Ų133142.7 Ų142.790%0.89976%0.762SS**  trans-54.7114170.3-65.30000107.8E556E556-C558 PolarHBondContact O-N 3.39Å; E556-C558 VanDerWaalsContact O-N 3.09Å
559V52.4Low57Low211 Ų211148.3 Ų148.3100%1.27979%0.786SS**  trans-65.90176-178.30000110.4P557P557-V559 PolarHBondContact O-N 2.69Å

Retrieved 559 of 559 residues in 2308.3 ms (Link to these results)

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