A0A087Y6K4_POEFO Loading...

Dual specificity protein phosphatase 8

Has phosphatase activity with synthetic phosphatase substrates and negatively regulates mitogen-activated protein kinase activity, presumably by catalysing their dephosphorylation. Expected to display protein phosphatase activity toward phosphotyrosine, phosphoserine and phosphothreonine residues.

AlphaFold DB , UniProt , Accession A0A087Y6K4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 680 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
1M35.2Very low47.8Very low245 Ų245130.6 Ų130.6100%1.20774%0.735SS**  0116.70-65.1-173.4-175.600108.3
2A38.3Very low51.1Low104 Ų104124.4 Ų124.486%0.8671%0.712SS**  trans-83.4109.5164.100000107E4A2-E4 PolarHBondContact O-N 3.27Å
3G34.4Very low54.2Low69 Ų69115 Ų11571%0.71166%0.658SS**  trans-73.1114.4177.200000109.7K5G3-K5 PolarHBondContact O-N 3Å
4E37.3Very low56.9Low196 Ų196112 Ų11292%0.91664%0.639SS**  trans-58.7110.8169-69.9-170.8107.800108.9A2 A6A2-E4 PolarHBondContact O-N 3.27Å; E4-A6 PolarHBondContact O-N 3.38Å
5K39.3Very low59.3Low185 Ų185105.7 Ų105.780%0.80460%0.602SS**  trans-66.3106.7166.8-76.9-177.8177175.70107.1G3G3-K5 PolarHBondContact O-N 3Å
6A37.9Very low61.4Low76 Ų76108.3 Ų108.363%0.62861%0.605SS**  trans-46.1143165.200000109.5E4 N8E4-A6 PolarHBondContact O-N 3.38Å; A6-N8 PolarHBondContact O-N 2.83Å
7P43Very low63.2Low129 Ų129108.8 Ų108.884%0.83860%0.595SS**  trans-56.1112.1-172.322.1-33.7000109.8K9P7-K9 PolarHBondContact O-N 3.45Å
8N51Low64.9Low130 Ų130102.7 Ų102.770%0.69556%0.562SS**  trans-54108.4-175.1-99.7-3.8000109.2A6 R10A6-N8 PolarHBondContact O-N 2.83Å; N8-R10 VanDerWaalsContact C-N 3.34Å; N8-R10 PolarHBondContact O-N 3.44Å
9K56.9Low66.3Low202 Ų20297.4 Ų97.488%0.87853%0.533SS*.  trans-64.1100172.5-175175.8-178.3177.90106.9P7 S11P7-K9 PolarHBondContact O-N 3.45Å; K9-S11 PolarHBondContact O-N 2.94Å
10R71.4Confident67.6Low49 Ų4994.9 Ų94.919%0.18552%0.523CS..  trans-48.5129.3-172.5-76.8-165.6160.5140.22110.7N8 A98 H108 M111 E115N8-R10 VanDerWaalsContact C-N 3.34Å; N8-R10 PolarHBondContact O-N 3.44Å; R10-A98 HydrophobicContact CB-CB 3.46Å; R10-A98 VanDerWaalsContact CB-CB 3.46Å; R10-A98 HydrophobicContact CG-CB 4.45Å; R10-H108 PolarHBondContact NH1-CD2 2.96Å; R10-H108 VanDerWaalsContact NH1-CD2 3.29Å; R10-H108 PolarHBondContact NH1-CE1 3.38Å; R10-H108 PolarHBondContact NH1-ND1 3.06Å; R10-H108 VanDerWaalsContact NH1-ND1 3.16Å; R10-H108 PolarHBondContact NH1-NE2 3.34Å; R10-H108 PolarHBondContact NH1-O 3.02Å; R10-H108 PolarHBondContact NH2-O 3.05Å; R10-H108 VanDerWaalsContact NH2-O 3.11Å; R10-M111 HydrophobicContact CB-CE 4.33Å; R10-E115 WeakPolarHBondContact CD-OE1 3.21Å; R10-E115 WeakPolarHBondContact CG-OE1 3.44Å; R10-E115 IonicContact CZ-OE1 2.71Å; R10-E115 IonicContact CZ-OE2 3.17Å; R10-E115 IonicContact NE-OE1 3.99Å; R10-E115 PolarHBondContact NE-OE1 3.34Å; R10-E115 IonicContact NE-OE2 2.65Å; R10-E115 PolarHBondContact NE-OE2 3.21Å; R10-E115 VanDerWaalsContact NE-OE2 3.12Å; R10-E115 IonicContact NH2-OE2 2.75Å; R10-E115 PolarHBondContact NH2-OE2 2.87Å
11S81.3Confident68.7Low52 Ų5291.5 Ų91.536%0.36450%0.504SS..EExtended strand (participates in β ladder)trans-66.6141.2-174.6-153.30000110K9 V121 S122 L123K9-S11 PolarHBondContact O-N 2.94Å; S11-V121 WeakPolarHBondContact CB-O 3.29Å; S11-S122 WeakPolarHBondContact CB-OG 3.49Å; S11-S122 CarbonylContact O-C 3.06Å; S11-S122 VanDerWaalsContact O-CA 3.26Å; S11-S122 WeakPolarHBondContact O-CA 3.18Å; S11-L123 PolarHBondContact O-N 3.17Å
12A87.1Confident71.3Confident56 Ų5681 Ų8146%0.46345%0.452SS..EExtended strand (participates in β ladder)trans-117139.717300000108.5L123A12-L123 CarbonylContact C-O 3.54Å; A12-L123 WeakPolarHBondContact CA-O 3.39Å
13M91Very high73.7Confident2 Ų282.4 Ų82.41%0.0144%0.441CS..EExtended strand (participates in β ladder)trans-112.5128.4176-179.8167.6-5800109.5R17 L18 L21 E87 V89 L123 T125M13-R17 HydrophobicContact CE-CG 4.45Å; M13-R17 HydrophobicContact CG-CB 4.09Å; M13-R17 HydrophobicContact CG-CG 4.02Å; M13-R17 HydrophobicContact SD-CG 4.11Å; M13-L18 HydrophobicContact CG-CB 4.37Å; M13-L18 HydrophobicContact SD-CB 3.8Å; M13-L18 HydrophobicContact SD-CD1 4.2Å; M13-L21 HydrophobicContact CE-CD1 3.91Å; M13-L21 HydrophobicContact SD-CD1 4.07Å; M13-E87 HydrophobicContact CE-CG 4.07Å; M13-E87 WeakPolarHBondContact CE-OE1 3.42Å; M13-V89 HydrophobicContact CB-CG1 4.49Å; M13-V89 HydrophobicContact CE-CG2 3.44Å; M13-V89 VanDerWaalsContact CE-CG2 3.44Å; M13-V89 HydrophobicContact SD-CG1 4.13Å; M13-V89 HydrophobicContact SD-CG2 3.56Å; M13-V89 VanDerWaalsContact SD-CG2 3.56Å; M13-L123 PolarHBondContact N-O 3.42Å; M13-T125 WeakPolarHBondContact O-CB 3.16Å; M13-T125 PolarHBondContact O-N 2.78Å; M13-T125 PolarHBondContact O-OG1 3.32Å; M13-T125 VanDerWaalsContact O-OG1 3.1Å
14D91.9Very high76.2Confident73 Ų7388 Ų8839%0.3944%0.441SS..  trans-70.2147.7169.7173.653.8000111.9K16 R17 L18D14-K16 VanDerWaalsContact C-N 3.29Å; D14-K16 PolarHBondContact O-N 3.46Å; D14-K16 WeakPolarHBondContact OD2-CB 3.47Å; D14-K16 VanDerWaalsContact OD2-CG 3.27Å; D14-K16 WeakPolarHBondContact OD2-CG 3.49Å; D14-K16 PolarHBondContact OD2-N 3.03Å; D14-R17 HydrophobicContact CB-CB 4.49Å; D14-R17 WeakPolarHBondContact O-CB 3.37Å; D14-R17 PolarHBondContact O-N 3.44Å; D14-R17 VanDerWaalsContact O-N 3.11Å; D14-L18 PolarHBondContact O-N 3.45Å
15I93.1Very high78Confident17 Ų1781.8 Ų81.89%0.08743%0.43CS..Hα-helixtrans-59.2-36.3179.953.7172.9000112.8R17 L18 A19 L124 A130 F131 C134 F135I15-R17 VanDerWaalsContact C-N 3.32Å; I15-R17 PolarHBondContact O-N 3.22Å; I15-L18 PolarHBondContact O-N 3.09Å; I15-A19 WeakPolarHBondContact O-CB 3.44Å; I15-A19 PolarHBondContact O-N 2.9Å; I15-L124 HydrophobicContact CG2-CD1 3.92Å; I15-L124 HydrophobicContact CG2-CG 4.13Å; I15-A130 HydrophobicContact CD1-CB 4.31Å; I15-A130 WeakPolarHBondContact CD1-O 3.08Å; I15-A130 HydrophobicContact CG2-CB 4.24Å; I15-F131 HydrophobicContact CB-CD2 4.03Å; I15-F131 HydrophobicContact CG2-CB 4.03Å; I15-F131 HydrophobicContact CG2-CD2 4.14Å; I15-C134 HydrophobicContact CD1-CB 3.87Å; I15-C134 VanDerWaalsContact CD1-SG 3.57Å; I15-F135 HydrophobicContact CB-CD2 4.49Å; I15-F135 HydrophobicContact CB-CE2 4.16Å; I15-F135 HydrophobicContact CD1-CE2 4.38Å; I15-F135 HydrophobicContact CG1-CE2 4.18Å
16K93.2Very high79.3Confident147 Ų14775.3 Ų75.364%0.63941%0.405SS*.Hα-helixtrans-68.8-35.5178.4-47.8178.4178.6-179.40111D14 S20 F135D14-K16 VanDerWaalsContact C-N 3.29Å; D14-K16 PolarHBondContact O-N 3.46Å; D14-K16 WeakPolarHBondContact OD2-CB 3.47Å; D14-K16 VanDerWaalsContact OD2-CG 3.27Å; D14-K16 WeakPolarHBondContact OD2-CG 3.49Å; D14-K16 PolarHBondContact OD2-N 3.03Å; K16-S20 WeakPolarHBondContact O-CB 3.5Å; K16-S20 PolarHBondContact O-N 3.24Å; K16-F135 HydrophobicContact CB-CZ 4.15Å; K16-F135 HydrophobicContact CG-CE2 4.28Å; K16-F135 HydrophobicContact CG-CZ 4Å
17R92.8Very high80.6Confident117 Ų11775.6 Ų75.644%0.44242%0.416SS..Hα-helixtrans-64.7-46.7173.3177.2175.8172.2139.211.5111.1M13 D14 I15 S20 L21 E87M13-R17 HydrophobicContact CE-CG 4.45Å; M13-R17 HydrophobicContact CG-CB 4.09Å; M13-R17 HydrophobicContact CG-CG 4.02Å; M13-R17 HydrophobicContact SD-CG 4.11Å; D14-R17 HydrophobicContact CB-CB 4.49Å; D14-R17 WeakPolarHBondContact O-CB 3.37Å; D14-R17 PolarHBondContact O-N 3.44Å; D14-R17 VanDerWaalsContact O-N 3.11Å; I15-R17 VanDerWaalsContact C-N 3.32Å; I15-R17 PolarHBondContact O-N 3.22Å; R17-S20 PolarHBondContact O-N 3.22Å; R17-S20 PolarHBondContact O-OG 3.47Å; R17-L21 HydrophobicContact CG-CD1 4.28Å; R17-L21 WeakPolarHBondContact O-CG 3.34Å; R17-L21 PolarHBondContact O-N 3.48Å; R17-E87 IonicContact CZ-OE1 3.15Å; R17-E87 IonicContact NE-OE1 3.91Å; R17-E87 IonicContact NH2-OE1 3.88Å; R17-E87 PolarHBondContact NH2-OE1 2.93Å; R17-E87 IonicContact NH2-OE2 3.04Å
18L92.8Very high82.3Confident0 Ų077 Ų770%041%0.405CS..Hα-helixtrans-59.3-48.5176.7178.758.2000111.4M13 D14 I15 S20 L21 I22 L29 V31 V45 V89 L124 F131M13-L18 HydrophobicContact CG-CB 4.37Å; M13-L18 HydrophobicContact SD-CB 3.8Å; M13-L18 HydrophobicContact SD-CD1 4.2Å; D14-L18 PolarHBondContact O-N 3.45Å; I15-L18 PolarHBondContact O-N 3.09Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 2.93Å; L18-L21 PolarHBondContact O-N 3.04Å; L18-I22 HydrophobicContact CD1-CD1 3.97Å; L18-I22 HydrophobicContact CD1-CG1 4.21Å; L18-I22 HydrophobicContact CG-CD1 3.85Å; L18-I22 WeakPolarHBondContact O-CG1 3.36Å; L18-I22 PolarHBondContact O-N 3.4Å; L18-I22 VanDerWaalsContact O-N 3.08Å; L18-L29 HydrophobicContact CD1-CD1 4.18Å; L18-L29 HydrophobicContact CD1-CD2 4.04Å; L18-V31 HydrophobicContact CD1-CG2 4.03Å; L18-V45 HydrophobicContact CD2-CG1 4.33Å; L18-V89 HydrophobicContact CD1-CB 4.38Å; L18-V89 HydrophobicContact CD1-CG1 4.29Å; L18-V89 HydrophobicContact CD1-CG2 4.26Å; L18-V89 HydrophobicContact CD2-CG1 4.23Å; L18-L124 HydrophobicContact CB-CD1 3.9Å; L18-L124 HydrophobicContact CD2-CD1 3.6Å; L18-L124 HydrophobicContact CD2-CD2 3.58Å; L18-L124 HydrophobicContact CD2-CG 4.19Å; L18-L124 HydrophobicContact CG-CD1 4.39Å; L18-F131 HydrophobicContact CB-CD2 4.41Å; L18-F131 HydrophobicContact CB-CE2 3.97Å; L18-F131 HydrophobicContact CD2-CD2 3.9Å; L18-F131 HydrophobicContact CD2-CE2 3.79Å; L18-F131 HydrophobicContact CD2-CZ 4.49Å; L18-F131 HydrophobicContact CG-CD2 4.34Å; L18-F131 HydrophobicContact CG-CE2 3.78Å; L18-F131 HydrophobicContact CG-CZ 4.46Å
19A92.4Very high84Confident1 Ų172.4 Ų72.41%0.00838%0.38CS..Hα-helixtrans-54.8-44.8176.800000111.9I15 L21 I22 Q23 F131 F135 L138I15-A19 WeakPolarHBondContact O-CB 3.44Å; I15-A19 PolarHBondContact O-N 2.9Å; A19-L21 VanDerWaalsContact C-N 3.28Å; A19-L21 PolarHBondContact O-N 2.86Å; A19-I22 PolarHBondContact O-N 3.2Å; A19-Q23 WeakPolarHBondContact O-CB 3.34Å; A19-Q23 WeakPolarHBondContact O-CG 3.44Å; A19-Q23 PolarHBondContact O-N 3.3Å; A19-F131 HydrophobicContact CB-CE2 4.09Å; A19-F131 HydrophobicContact CB-CZ 4.33Å; A19-F135 HydrophobicContact CB-CD1 3.59Å; A19-F135 HydrophobicContact CB-CD2 3.87Å; A19-F135 HydrophobicContact CB-CE1 3.59Å; A19-F135 HydrophobicContact CB-CE2 3.87Å; A19-F135 HydrophobicContact CB-CG 3.73Å; A19-F135 HydrophobicContact CB-CZ 3.74Å; A19-L138 HydrophobicContact CB-CD1 3.57Å
20S91.8Very high85.6Confident47 Ų4763.2 Ų63.233%0.32934%0.34SS..Hα-helixtrans-65-25.4177.978.50000114.5K16 R17 L18 R24K16-S20 WeakPolarHBondContact O-CB 3.5Å; K16-S20 PolarHBondContact O-N 3.24Å; R17-S20 PolarHBondContact O-N 3.22Å; R17-S20 PolarHBondContact O-OG 3.47Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-S20 PolarHBondContact O-N 2.93Å; S20-R24 WeakPolarHBondContact O-CB 3.3Å; S20-R24 WeakPolarHBondContact O-CD 3.43Å; S20-R24 WeakPolarHBondContact O-CG 3.19Å; S20-R24 PolarHBondContact O-N 3.07Å
21L90.6Very high86.6Confident25 Ų2561.1 Ų61.113%0.13133%0.333CS..Hα-helixtrans-82.4-37.5177.4-68.7170000111.7M13 R17 L18 A19 T26 L29M13-L21 HydrophobicContact CE-CD1 3.91Å; M13-L21 HydrophobicContact SD-CD1 4.07Å; R17-L21 HydrophobicContact CG-CD1 4.28Å; R17-L21 WeakPolarHBondContact O-CG 3.34Å; R17-L21 PolarHBondContact O-N 3.48Å; L18-L21 PolarHBondContact O-N 3.04Å; A19-L21 VanDerWaalsContact C-N 3.28Å; A19-L21 PolarHBondContact O-N 2.86Å; L21-T26 PolarHBondContact O-N 2.85Å; L21-T26 PolarHBondContact O-OG1 3.11Å; L21-L29 HydrophobicContact CB-CD1 4.49Å; L21-L29 HydrophobicContact CB-CD2 4.01Å; L21-L29 HydrophobicContact CD1-CD1 4.31Å
22I90.2Very high87.2Confident24 Ų2458.7 Ų58.712%0.12332%0.315CS..Hα-helixtrans-63.9-53.8173.3-64166.6000109.8L18 A19 R24 G25 L29 V45 Q46 F131 L138L18-I22 HydrophobicContact CD1-CD1 3.97Å; L18-I22 HydrophobicContact CD1-CG1 4.21Å; L18-I22 HydrophobicContact CG-CD1 3.85Å; L18-I22 WeakPolarHBondContact O-CG1 3.36Å; L18-I22 PolarHBondContact O-N 3.4Å; L18-I22 VanDerWaalsContact O-N 3.08Å; A19-I22 PolarHBondContact O-N 3.2Å; I22-R24 PolarHBondContact O-N 3.37Å; I22-R24 VanDerWaalsContact O-N 3.16Å; I22-G25 PolarHBondContact O-N 3.25Å; I22-L29 HydrophobicContact CG1-CD2 3.73Å; I22-V45 HydrophobicContact CD1-CG1 3.4Å; I22-V45 VanDerWaalsContact CD1-CG1 3.4Å; I22-Q46 HydrophobicContact CG2-CB 4.36Å; I22-Q46 HydrophobicContact CG2-CG 4.26Å; I22-F131 HydrophobicContact CD1-CZ 3.93Å; I22-L138 HydrophobicContact CG2-CD2 4.25Å
23Q89Confident87.5Confident134 Ų13456 Ų5663%0.62629%0.293SS*.Hα-helixtrans-60-27.6180-73.1175.4-22.800113.8A19 G25 L138A19-Q23 WeakPolarHBondContact O-CB 3.34Å; A19-Q23 WeakPolarHBondContact O-CG 3.44Å; A19-Q23 PolarHBondContact O-N 3.3Å; Q23-G25 VanDerWaalsContact C-N 3.28Å; Q23-L138 HydrophobicContact CG-CD1 3.89Å; Q23-L138 HydrophobicContact CG-CD2 3.87Å
24R86.4Confident87.6Confident186 Ų18656.1 Ų56.170%0.70229%0.294SS*.THydrogen-bonded Turntrans-83.92.3176.1-73.9174.664.7-177.42.4113.9S20 I22 T26S20-R24 WeakPolarHBondContact O-CB 3.3Å; S20-R24 WeakPolarHBondContact O-CD 3.43Å; S20-R24 WeakPolarHBondContact O-CG 3.19Å; S20-R24 PolarHBondContact O-N 3.07Å; I22-R24 PolarHBondContact O-N 3.37Å; I22-R24 VanDerWaalsContact O-N 3.16Å; R24-T26 HydrophobicContact CB-CG2 4.02Å; R24-T26 PolarHBondContact O-N 2.89Å; R24-T26 VanDerWaalsContact O-N 3.16Å
25G74.6Confident87.6Confident66 Ų6653.3 Ų53.368%0.6828%0.278SS*.THydrogen-bonded Turntrans57.530.6177.800000113.6I22 Q23 G27I22-G25 PolarHBondContact O-N 3.25Å; Q23-G25 VanDerWaalsContact C-N 3.28Å; G25-G27 PolarHBondContact O-N 3.29Å
26T67Low87.4Confident48 Ų4855 Ų5529%0.29429%0.29SS..  trans-70.6102.1-172.456.40000110.8L21 R24 R28 L29L21-T26 PolarHBondContact O-N 2.85Å; L21-T26 PolarHBondContact O-OG1 3.11Å; R24-T26 HydrophobicContact CB-CG2 4.02Å; R24-T26 PolarHBondContact O-N 2.89Å; R24-T26 VanDerWaalsContact O-N 3.16Å; T26-R28 PolarHBondContact O-N 2.96Å; T26-L29 WeakPolarHBondContact O-CB 3.38Å; T26-L29 PolarHBondContact O-N 3.06Å
27G65.1Low87Confident82 Ų8254 Ų5485%0.84529%0.285SS*.THydrogen-bonded Turntrans-64.831.117500000115.7G25G25-G27 PolarHBondContact O-N 3.29Å
28R78Confident86.8Confident160 Ų16052.8 Ų52.860%0.60430%0.295SS*.THydrogen-bonded Turntrans-1326170.7-57.3-175-169.5174.14.4111.8T26 Q86 E87T26-R28 PolarHBondContact O-N 2.96Å; R28-Q86 CarbonylContact O-C 3.58Å; R28-Q86 VanDerWaalsContact O-CA 3.31Å; R28-Q86 WeakPolarHBondContact O-CA 3.45Å; R28-Q86 WeakPolarHBondContact O-CG 3.42Å; R28-E87 PolarHBondContact O-N 3.12Å
29L87.7Confident86.6Confident33 Ų3356.1 Ų56.117%0.17331%0.31CS..EExtended strand (participates in β ladder)trans-87.3137.2169.6-17967.2000109L18 L21 I22 T26 V31 E87 V89L18-L29 HydrophobicContact CD1-CD1 4.18Å; L18-L29 HydrophobicContact CD1-CD2 4.04Å; L21-L29 HydrophobicContact CB-CD1 4.49Å; L21-L29 HydrophobicContact CB-CD2 4.01Å; L21-L29 HydrophobicContact CD1-CD1 4.31Å; I22-L29 HydrophobicContact CG1-CD2 3.73Å; T26-L29 WeakPolarHBondContact O-CB 3.38Å; T26-L29 PolarHBondContact O-N 3.06Å; L29-V31 HydrophobicContact CD1-CG2 4.22Å; L29-V31 HydrophobicContact CD2-CG2 3.68Å; L29-V31 HydrophobicContact CG-CG2 3.74Å; L29-E87 WeakPolarHBondContact CA-O 3.39Å; L29-V89 HydrophobicContact CD1-CG2 3.75Å
30L89.4Confident86.6Confident8 Ų858.1 Ų58.14%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-126.1116.1164.4173.463000107.9I32 V49 L72 Q86 E87 V88 V89 F118L30-I32 HydrophobicContact CD2-CD1 4.22Å; L30-I32 HydrophobicContact CD2-CG1 4.47Å; L30-I32 HydrophobicContact CG-CD1 4.4Å; L30-I32 HydrophobicContact CG-CG1 4.16Å; L30-V49 HydrophobicContact CD1-CG2 4.04Å; L30-L72 HydrophobicContact CD2-CD1 3.98Å; L30-Q86 HydrophobicContact CB-CG 4.24Å; L30-E87 PolarHBondContact N-O 2.88Å; L30-V88 HydrophobicContact CB-CG2 4.32Å; L30-V88 HydrophobicContact CD2-CG1 4.35Å; L30-V88 HydrophobicContact CD2-CG2 4.25Å; L30-V88 HydrophobicContact CG-CG1 4.47Å; L30-V88 CarbonylContact O-C 3.49Å; L30-V88 WeakPolarHBondContact O-CA 3.32Å; L30-V89 PolarHBondContact O-N 3.07Å; L30-F118 HydrophobicContact CD2-CE1 4.42Å; L30-F118 HydrophobicContact CD2-CZ 4.34Å
31V92.6Very high86.5Confident6 Ų659.7 Ų59.74%0.03632%0.323CS..EExtended strand (participates in β ladder)trans-99.6134.3177.5-1650000108.9L18 L29 V45 A48 V49 V89 Y91L18-V31 HydrophobicContact CD1-CG2 4.03Å; L29-V31 HydrophobicContact CD1-CG2 4.22Å; L29-V31 HydrophobicContact CD2-CG2 3.68Å; L29-V31 HydrophobicContact CG-CG2 3.74Å; V31-V45 HydrophobicContact CG1-CB 4.38Å; V31-V45 HydrophobicContact CG1-CG1 4.31Å; V31-A48 HydrophobicContact CB-CB 4.02Å; V31-A48 HydrophobicContact CG1-CB 3.93Å; V31-A48 WeakPolarHBondContact O-CA 3.31Å; V31-V49 PolarHBondContact O-N 2.82Å; V31-V89 CarbonylContact C-O 3.54Å; V31-V89 WeakPolarHBondContact CA-O 3.28Å; V31-Y91 HydrophobicContact CG1-CD1 3.81Å; V31-Y91 HydrophobicContact CG1-CE1 3.62Å
32I93.6Very high86.4Confident0 Ų061.7 Ų61.70%034%0.343CS..EExtended strand (participates in β ladder)trans-125.1118.6-175.7-65175.5000109.4L30 V49 V51 L72 V88 V89 V90 Y91 L110 L114L30-I32 HydrophobicContact CD2-CD1 4.22Å; L30-I32 HydrophobicContact CD2-CG1 4.47Å; L30-I32 HydrophobicContact CG-CD1 4.4Å; L30-I32 HydrophobicContact CG-CG1 4.16Å; I32-V49 WeakPolarHBondContact CA-O 3.48Å; I32-V51 HydrophobicContact CG2-CB 3.85Å; I32-V51 HydrophobicContact CG2-CG2 3.53Å; I32-L72 HydrophobicContact CD1-CD1 4.42Å; I32-L72 HydrophobicContact CD1-CD2 3.87Å; I32-L72 HydrophobicContact CG1-CD2 4.03Å; I32-V88 HydrophobicContact CD1-CG1 3.52Å; I32-V88 HydrophobicContact CG1-CG1 4.25Å; I32-V89 PolarHBondContact N-O 3.39Å; I32-V90 HydrophobicContact CB-CG2 4.33Å; I32-V90 HydrophobicContact CD1-CG2 4.44Å; I32-V90 HydrophobicContact CG2-CG1 4.37Å; I32-V90 WeakPolarHBondContact O-CA 3.48Å; I32-Y91 PolarHBondContact O-N 3.39Å; I32-L110 HydrophobicContact CG2-CD2 4.22Å; I32-L114 HydrophobicContact CD1-CD1 3.76Å; I32-L114 HydrophobicContact CD1-CD2 3.86Å; I32-L114 HydrophobicContact CD1-CG 4.49Å
33D94Very high86.5Confident0 Ų062.2 Ų62.20%035%0.349CS..EExtended strand (participates in β ladder)trans-91.4113.1172.7-165.3-29.7000109.8R35 Y40 A48 V49 N50 V51 Y91D33-R35 WeakPolarHBondContact OD1-CB 3.44Å; D33-R35 WeakPolarHBondContact OD1-CG 3.34Å; D33-R35 IonicContact OD1-CZ 3.95Å; D33-R35 PolarHBondContact OD1-N 2.98Å; D33-R35 IonicContact OD1-NE 3.34Å; D33-R35 PolarHBondContact OD1-NE 3.28Å; D33-R35 IonicContact OD1-NH2 2.68Å; D33-R35 IonicContact OD2-CZ 2.9Å; D33-R35 IonicContact OD2-NE 2.83Å; D33-R35 PolarHBondContact OD2-NE 2.86Å; D33-R35 VanDerWaalsContact OD2-NE 3.15Å; D33-R35 IonicContact OD2-NH2 2.73Å; D33-R35 PolarHBondContact OD2-NH2 2.99Å; D33-Y40 HydrophobicContact CB-CD2 3.81Å; D33-Y40 HydrophobicContact CB-CE2 4.37Å; D33-A48 HydrophobicContact CB-CB 4.43Å; D33-V49 PolarHBondContact N-O 2.76Å; D33-N50 WeakPolarHBondContact O-CA 3.21Å; D33-N50 PolarHBondContact O-ND2 2.85Å; D33-V51 PolarHBondContact O-N 3.35Å; D33-Y91 HydrophobicContact CB-CE1 4.11Å; D33-Y91 HydrophobicContact CB-CE2 3.81Å; D33-Y91 WeakPolarHBondContact CB-OH 3.45Å; D33-Y91 WeakPolarHBondContact OD1-CE2 3.34Å; D33-Y91 WeakPolarHBondContact OD2-CE2 3.49Å; D33-Y91 PolarHBondContact OD2-OH 3.23Å
34S92.9Very high86.7Confident4 Ų456.9 Ų56.93%0.02832%0.324CS..  trans-92.75.9-179.466.50000114.5Y53 Y91S34-Y53 WeakPolarHBondContact O-CB 3.48Å; S34-Y91 WeakPolarHBondContact CB-O 3.45Å; S34-Y91 PolarHBondContact N-O 2.9Å; S34-Y91 PolarHBondContact OG-O 3.12Å
35R91.8Very high87.1Confident14 Ų1448 Ų485%0.05329%0.291CS..SBendtrans-76.6179.7178.6-57.8177.7-61.2152.97.1112D33 E39 S43 N50 Y53 Q93D33-R35 WeakPolarHBondContact OD1-CB 3.44Å; D33-R35 WeakPolarHBondContact OD1-CG 3.34Å; D33-R35 IonicContact OD1-CZ 3.95Å; D33-R35 PolarHBondContact OD1-N 2.98Å; D33-R35 IonicContact OD1-NE 3.34Å; D33-R35 PolarHBondContact OD1-NE 3.28Å; D33-R35 IonicContact OD1-NH2 2.68Å; D33-R35 IonicContact OD2-CZ 2.9Å; D33-R35 IonicContact OD2-NE 2.83Å; D33-R35 PolarHBondContact OD2-NE 2.86Å; D33-R35 VanDerWaalsContact OD2-NE 3.15Å; D33-R35 IonicContact OD2-NH2 2.73Å; D33-R35 PolarHBondContact OD2-NH2 2.99Å; R35-E39 HydrophobicContact CB-CB 3.97Å; R35-E39 PolarHBondContact NH2-O 3.22Å; R35-S43 PolarHBondContact NH2-O 2.91Å; R35-N50 PolarHBondContact O-ND2 2.85Å; R35-Y53 PolarHBondContact O-N 2.58Å; R35-Q93 HydrophobicContact CG-CB 4.4Å
36T88.7Confident87.9Confident53 Ų5348.7 Ų48.733%0.32528%0.276SS..  trans-70154.7174.967.60000111.7S38 E39 Y40T36-S38 PolarHBondContact O-N 3.11Å; T36-E39 VanDerWaalsContact CB-OE2 3.28Å; T36-E39 WeakPolarHBondContact CB-OE2 3.27Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.29Å; T36-E39 PolarHBondContact N-OE2 3.3Å; T36-E39 PolarHBondContact O-N 2.95Å; T36-E39 WeakPolarHBondContact OG1-CG 3.47Å; T36-E39 PolarHBondContact OG1-OE2 2.98Å; T36-Y40 PolarHBondContact O-N 3.32Å
37F86.3Confident88.9Confident126 Ų12649 Ų4955%0.55329%0.289SS*.Hα-helixtrans-52.8-37.2177.3-174.1-119.9000112.9N41 N50F37-N41 VanDerWaalsContact CD1-ND2 3.33Å; F37-N41 WeakPolarHBondContact CD1-ND2 3.45Å; F37-N41 WeakPolarHBondContact CE1-ND2 3.31Å; F37-N41 VanDerWaalsContact CE2-ND2 3.32Å; F37-N41 WeakPolarHBondContact CE2-ND2 3.28Å; F37-N41 WeakPolarHBondContact CZ-ND2 3.45Å; F37-N41 WeakPolarHBondContact O-CB 3.1Å; F37-N41 PolarHBondContact O-N 3.27Å; F37-N41 PolarHBondContact O-ND2 2.83Å; F37-N50 WeakPolarHBondContact CA-OD1 3.34Å
38S87.4Confident90.1Very high92 Ų9245.3 Ų45.364%0.64325%0.25SS*.Hα-helixtrans-68.3-37.9177.6-52.60000113.2T36 A42T36-S38 PolarHBondContact O-N 3.11Å; S38-A42 WeakPolarHBondContact O-CB 3.39Å; S38-A42 PolarHBondContact O-N 3.46Å; S38-A42 VanDerWaalsContact O-N 3.16Å
39E90Very high90.7Very high69 Ų6938.8 Ų38.832%0.32223%0.228SC..Hα-helixtrans-69.9-41.7176.6-69.8164.2104.400111.3R35 T36 A42 S43R35-E39 HydrophobicContact CB-CB 3.97Å; R35-E39 PolarHBondContact NH2-O 3.22Å; T36-E39 VanDerWaalsContact CB-OE2 3.28Å; T36-E39 WeakPolarHBondContact CB-OE2 3.27Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.29Å; T36-E39 PolarHBondContact N-OE2 3.3Å; T36-E39 PolarHBondContact O-N 2.95Å; T36-E39 WeakPolarHBondContact OG1-CG 3.47Å; T36-E39 PolarHBondContact OG1-OE2 2.98Å; E39-A42 PolarHBondContact O-N 3.44Å; E39-S43 PolarHBondContact O-N 3.21Å; E39-S43 VanDerWaalsContact O-O 3.08Å
40Y90.9Very high90.9Very high44 Ų4438.5 Ų38.517%0.17323%0.227CC..Hα-helixtrans-61.3-51.3174.5173-92.1000111.7D33 T36 A42 S43 H44 A48 N50D33-Y40 HydrophobicContact CB-CD2 3.81Å; D33-Y40 HydrophobicContact CB-CE2 4.37Å; T36-Y40 PolarHBondContact O-N 3.32Å; Y40-A42 PolarHBondContact O-N 2.84Å; Y40-S43 CarbonylContact O-C 3.55Å; Y40-S43 PolarHBondContact O-N 3.23Å; Y40-H44 HydrophobicContact CD2-CB 3.34Å; Y40-H44 AromaticContact CD2-CG 3.52Å; Y40-H44 AromaticContact CD2-ND1 3.87Å; Y40-H44 AromaticContact CE1-CE1 3.86Å; Y40-H44 AromaticContact CE1-ND1 3.94Å; Y40-H44 HydrophobicContact CE2-CB 3.59Å; Y40-H44 AromaticContact CE2-CD2 3.41Å; Y40-H44 VanDerWaalsContact CE2-CD2 3.41Å; Y40-H44 WeakPolarHBondContact CE2-CD2 3.38Å; Y40-H44 AromaticContact CE2-CG 3.33Å; Y40-H44 AromaticContact CE2-ND1 3.78Å; Y40-H44 AromaticContact CE2-NE2 3.91Å; Y40-H44 HydrophobicContact CG-CB 4.1Å; Y40-H44 AromaticContact CZ-CD2 3.63Å; Y40-H44 AromaticContact CZ-CE1 3.71Å; Y40-H44 AromaticContact CZ-CG 3.77Å; Y40-H44 AromaticContact CZ-ND1 3.8Å; Y40-H44 AromaticContact CZ-NE2 3.59Å; Y40-H44 PolarHBondContact O-ND1 3.24Å; Y40-H44 PolarHBondContact OH-NE2 2.75Å; Y40-A48 WeakPolarHBondContact CE2-O 3.48Å; Y40-A48 PolarHBondContact OH-O 2.88Å; Y40-A48 VanDerWaalsContact OH-O 3.04Å; Y40-N50 HydrophobicContact CD1-CB 3.86Å; Y40-N50 HydrophobicContact CD2-CB 3.54Å; Y40-N50 HydrophobicContact CE1-CB 4.11Å; Y40-N50 HydrophobicContact CE2-CB 3.77Å; Y40-N50 HydrophobicContact CG-CB 3.58Å
41N89.4Confident90.9Very high79 Ų7938.2 Ų38.242%0.42223%0.225SC..Hα-helixtrans-66.4-22.6-179.1-71.1-31.6000113.7F37F37-N41 VanDerWaalsContact CD1-ND2 3.33Å; F37-N41 WeakPolarHBondContact CD1-ND2 3.45Å; F37-N41 WeakPolarHBondContact CE1-ND2 3.31Å; F37-N41 VanDerWaalsContact CE2-ND2 3.32Å; F37-N41 WeakPolarHBondContact CE2-ND2 3.28Å; F37-N41 WeakPolarHBondContact CZ-ND2 3.45Å; F37-N41 WeakPolarHBondContact O-CB 3.1Å; F37-N41 PolarHBondContact O-N 3.27Å; F37-N41 PolarHBondContact O-ND2 2.83Å
42A88.6Confident90.2Very high68 Ų6840.3 Ų40.356%0.56224%0.24SC*.Hα-helixtrans-70.8-55.9172.100000110.8S38 E39 Y40S38-A42 WeakPolarHBondContact O-CB 3.39Å; S38-A42 PolarHBondContact O-N 3.46Å; S38-A42 VanDerWaalsContact O-N 3.16Å; E39-A42 PolarHBondContact O-N 3.44Å; Y40-A42 PolarHBondContact O-N 2.84Å
43S92.5Very high89.7Confident35 Ų3545.4 Ų45.425%0.24526%0.26CS..  trans-164.5142.5164.5-176.10000111.4R35 E39 Y40 F128 E140R35-S43 PolarHBondContact NH2-O 2.91Å; E39-S43 PolarHBondContact O-N 3.21Å; E39-S43 VanDerWaalsContact O-O 3.08Å; Y40-S43 CarbonylContact O-C 3.55Å; Y40-S43 PolarHBondContact O-N 3.23Å; S43-F128 VanDerWaalsContact O-CZ 3.24Å; S43-F128 WeakPolarHBondContact O-CZ 3.49Å; S43-E140 CarbonylContact C-O 3.6Å; S43-E140 WeakPolarHBondContact CA-O 3.41Å; S43-E140 PolarHBondContact OG-O 3.34Å
44H94.4Very high89.1Confident22 Ų2247.5 Ų47.510%0.10227%0.274CS..EExtended strand (participates in β ladder)trans-135.7168.9-179.350.8-83.1000111.2Y40 Y91 F128 C139 E140Y40-H44 HydrophobicContact CD2-CB 3.34Å; Y40-H44 AromaticContact CD2-CG 3.52Å; Y40-H44 AromaticContact CD2-ND1 3.87Å; Y40-H44 AromaticContact CE1-CE1 3.86Å; Y40-H44 AromaticContact CE1-ND1 3.94Å; Y40-H44 HydrophobicContact CE2-CB 3.59Å; Y40-H44 AromaticContact CE2-CD2 3.41Å; Y40-H44 VanDerWaalsContact CE2-CD2 3.41Å; Y40-H44 WeakPolarHBondContact CE2-CD2 3.38Å; Y40-H44 AromaticContact CE2-CG 3.33Å; Y40-H44 AromaticContact CE2-ND1 3.78Å; Y40-H44 AromaticContact CE2-NE2 3.91Å; Y40-H44 HydrophobicContact CG-CB 4.1Å; Y40-H44 AromaticContact CZ-CD2 3.63Å; Y40-H44 AromaticContact CZ-CE1 3.71Å; Y40-H44 AromaticContact CZ-CG 3.77Å; Y40-H44 AromaticContact CZ-ND1 3.8Å; Y40-H44 AromaticContact CZ-NE2 3.59Å; Y40-H44 PolarHBondContact O-ND1 3.24Å; Y40-H44 PolarHBondContact OH-NE2 2.75Å; H44-Y91 WeakPolarHBondContact CB-OH 3.01Å; H44-F128 VanDerWaalsContact C-CE2 3.48Å; H44-C139 CarbonylContact O-C 3.57Å; H44-C139 WeakPolarHBondContact O-CA 3.34Å; H44-C139 WeakPolarHBondContact O-CB 3.42Å; H44-E140 PolarHBondContact N-O 3Å; H44-E140 PolarHBondContact O-N 3.09Å
45V94.4Very high88.7Confident0 Ų055.6 Ų55.60%031%0.309CS..EExtended strand (participates in β ladder)trans-68.8139.4172.2-179.70000109.1L18 I22 V31 G47 A48 Y91 F128 F131L18-V45 HydrophobicContact CD2-CG1 4.33Å; I22-V45 HydrophobicContact CD1-CG1 3.4Å; I22-V45 VanDerWaalsContact CD1-CG1 3.4Å; V31-V45 HydrophobicContact CG1-CB 4.38Å; V31-V45 HydrophobicContact CG1-CG1 4.31Å; V45-G47 PolarHBondContact O-N 3Å; V45-A48 HydrophobicContact CB-CB 4.35Å; V45-A48 WeakPolarHBondContact O-CB 3.35Å; V45-A48 PolarHBondContact O-N 3.26Å; V45-Y91 HydrophobicContact CB-CE1 3.72Å; V45-Y91 HydrophobicContact CG2-CD1 4.14Å; V45-Y91 HydrophobicContact CG2-CE1 3.48Å; V45-Y91 VanDerWaalsContact CG2-CE1 3.48Å; V45-Y91 HydrophobicContact CG2-CE2 4.36Å; V45-Y91 PolarHBondContact N-OH 3.27Å; V45-F128 HydrophobicContact CG2-CD2 3.97Å; V45-F128 HydrophobicContact CG2-CE2 4.24Å; V45-F131 HydrophobicContact CB-CE1 4.37Å; V45-F131 HydrophobicContact CG1-CD1 4.33Å; V45-F131 HydrophobicContact CG1-CE1 3.78Å; V45-F131 HydrophobicContact CG1-CZ 3.97Å; V45-F131 HydrophobicContact CG2-CD1 3.61Å; V45-F131 HydrophobicContact CG2-CE1 3.93Å; V45-F131 HydrophobicContact CG2-CG 4.08Å
46Q90.9Very high88.4Confident79 Ų7960.5 Ų60.537%0.36934%0.336SS..THydrogen-bonded Turntrans-50.8128.2-179.7167.715473.800112.6I22 A48 L138 E140I22-Q46 HydrophobicContact CG2-CB 4.36Å; I22-Q46 HydrophobicContact CG2-CG 4.26Å; Q46-A48 VanDerWaalsContact C-N 3.26Å; Q46-A48 PolarHBondContact O-N 3.18Å; Q46-L138 WeakPolarHBondContact CB-O 3.41Å; Q46-L138 PolarHBondContact N-O 3.48Å; Q46-E140 WeakPolarHBondContact CA-OE2 3.32Å; Q46-E140 HydrophobicContact CB-CG 4.04Å; Q46-E140 HydrophobicContact CG-CG 4.3Å; Q46-E140 WeakPolarHBondContact CG-OE1 3.37Å; Q46-E140 PolarHBondContact NE2-OE1 3.19Å
47G87.2Confident88.2Confident55 Ų5559.6 Ų59.657%0.56733%0.33SS*.THydrogen-bonded Turntrans68.915.2179.900000115.4V45 E140V45-G47 PolarHBondContact O-N 3Å; G47-E140 PolarHBondContact N-OE2 3.21Å
48A91.9Very high88.3Confident4 Ų454.9 Ų54.93%0.03331%0.309CS..EExtended strand (participates in β ladder)trans-75144.2176.200000112.8V31 D33 Y40 V45 Q46 Y91V31-A48 HydrophobicContact CB-CB 4.02Å; V31-A48 HydrophobicContact CG1-CB 3.93Å; V31-A48 WeakPolarHBondContact O-CA 3.31Å; D33-A48 HydrophobicContact CB-CB 4.43Å; Y40-A48 WeakPolarHBondContact CE2-O 3.48Å; Y40-A48 PolarHBondContact OH-O 2.88Å; Y40-A48 VanDerWaalsContact OH-O 3.04Å; V45-A48 HydrophobicContact CB-CB 4.35Å; V45-A48 WeakPolarHBondContact O-CB 3.35Å; V45-A48 PolarHBondContact O-N 3.26Å; Q46-A48 VanDerWaalsContact C-N 3.26Å; Q46-A48 PolarHBondContact O-N 3.18Å; A48-Y91 HydrophobicContact CB-CE1 3.97Å
49V90.5Very high88.2Confident24 Ų2457.8 Ų57.815%0.14531%0.306CS..EExtended strand (participates in β ladder)trans-96.5123.9173.4-178.50000109.3L30 V31 I32 D33 V51 L72 V78L30-V49 HydrophobicContact CD1-CG2 4.04Å; V31-V49 PolarHBondContact O-N 2.82Å; I32-V49 WeakPolarHBondContact CA-O 3.48Å; D33-V49 PolarHBondContact N-O 2.76Å; V49-V51 PolarHBondContact O-N 3.28Å; V49-L72 HydrophobicContact CB-CD2 4.33Å; V49-L72 HydrophobicContact CG1-CD2 4Å; V49-V78 HydrophobicContact CG2-CG2 4.19Å
50N91.5Very high88Confident26 Ų2660.1 Ų60.114%0.13931%0.312CS..EExtended strand (participates in β ladder)trans-78.5117.8178.2-168.3-145.2000112.4D33 R35 F37 Y40 C52D33-N50 WeakPolarHBondContact O-CA 3.21Å; D33-N50 PolarHBondContact O-ND2 2.85Å; R35-N50 PolarHBondContact O-ND2 2.85Å; F37-N50 WeakPolarHBondContact CA-OD1 3.34Å; Y40-N50 HydrophobicContact CD1-CB 3.86Å; Y40-N50 HydrophobicContact CD2-CB 3.54Å; Y40-N50 HydrophobicContact CE1-CB 4.11Å; Y40-N50 HydrophobicContact CE2-CB 3.77Å; Y40-N50 HydrophobicContact CG-CB 3.58Å; N50-C52 PolarHBondContact O-N 3.24Å; N50-C52 PolarHBondContact OD1-SG 2.92Å
51V88.6Confident87.9Confident2 Ų258.1 Ų58.11%0.01231%0.305CS..  trans-10174.8172.3168.40000107.4I32 D33 V49 Y53 L71 L72 F106 L110I32-V51 HydrophobicContact CG2-CB 3.85Å; I32-V51 HydrophobicContact CG2-CG2 3.53Å; D33-V51 PolarHBondContact O-N 3.35Å; V49-V51 PolarHBondContact O-N 3.28Å; V51-Y53 PolarHBondContact O-N 2.86Å; V51-Y53 VanDerWaalsContact O-N 3.09Å; V51-L71 HydrophobicContact CB-CD2 3.93Å; V51-L71 HydrophobicContact CG1-CD2 3.43Å; V51-L71 VanDerWaalsContact CG1-CD2 3.43Å; V51-L71 HydrophobicContact CG2-CD2 3.58Å; V51-L72 HydrophobicContact CG2-CD2 3.97Å; V51-F106 HydrophobicContact CG1-CE1 4.19Å; V51-F106 HydrophobicContact CG1-CZ 3.7Å; V51-F106 WeakPolarHBondContact O-CE1 3.48Å; V51-L110 HydrophobicContact CB-CD2 4.25Å; V51-L110 HydrophobicContact CG1-CD1 3.83Å; V51-L110 HydrophobicContact CG1-CD2 3.55Å; V51-L110 HydrophobicContact CG1-CG 4.34Å
52C79.3Confident87.8Confident51 Ų5158.3 Ų58.335%0.34530%0.303SS..  trans-42.9111.7-173.7-65.30000113.2N50 S54N50-C52 PolarHBondContact O-N 3.24Å; N50-C52 PolarHBondContact OD1-SG 2.92Å; C52-S54 PolarHBondContact O-N 3.48Å; C52-S54 VanDerWaalsContact O-N 3.11Å
53Y82.3Confident87.7Confident106 Ų10659.1 Ų59.142%0.41630%0.295SS..  trans-63.6118.1172.9173.6-132000111.3S34 R35 V51 F106S34-Y53 WeakPolarHBondContact O-CB 3.48Å; R35-Y53 PolarHBondContact O-N 2.58Å; V51-Y53 PolarHBondContact O-N 2.86Å; V51-Y53 VanDerWaalsContact O-N 3.09Å; Y53-F106 HydrophobicContact CD2-CB 3.45Å; Y53-F106 VanDerWaalsContact CD2-CB 3.45Å; Y53-F106 AromaticContact CD2-CD1 3.5Å; Y53-F106 HydrophobicContact CD2-CD1 3.5Å; Y53-F106 AromaticContact CD2-CD2 3.83Å; Y53-F106 HydrophobicContact CD2-CD2 3.83Å; Y53-F106 HydrophobicContact CD2-CE1 4.12Å; Y53-F106 HydrophobicContact CD2-CE2 4.41Å; Y53-F106 AromaticContact CD2-CG 3.31Å; Y53-F106 HydrophobicContact CD2-CG 3.31Å; Y53-F106 HydrophobicContact CE2-CB 3.58Å; Y53-F106 HydrophobicContact CE2-CD1 4.48Å; Y53-F106 HydrophobicContact CE2-CD2 4.36Å; Y53-F106 AromaticContact CE2-CG 3.92Å; Y53-F106 HydrophobicContact CE2-CG 3.92Å; Y53-F106 HydrophobicContact CG-CB 4.3Å; Y53-F106 AromaticContact CG-CD1 3.85Å; Y53-F106 HydrophobicContact CG-CD1 3.85Å; Y53-F106 HydrophobicContact CG-CE1 4.35Å; Y53-F106 HydrophobicContact CG-CG 4.12Å
54S82.1Confident87.3Confident44 Ų4462.9 Ų62.931%0.30831%0.312SS..  trans-144.1156.7165.674.50000111.7C52 L56 V57 K58C52-S54 PolarHBondContact O-N 3.48Å; C52-S54 VanDerWaalsContact O-N 3.11Å; S54-L56 PolarHBondContact O-N 2.82Å; S54-V57 PolarHBondContact O-N 3.34Å; S54-V57 WeakPolarHBondContact OG-CB 3.46Å; S54-V57 VanDerWaalsContact OG-CG2 3.31Å; S54-V57 WeakPolarHBondContact OG-CG2 3.43Å; S54-V57 PolarHBondContact OG-N 3.07Å; S54-V57 VanDerWaalsContact OG-N 3.07Å; S54-K58 WeakPolarHBondContact O-CB 3.25Å; S54-K58 PolarHBondContact O-N 2.79Å
55K83.9Confident86.9Confident174 Ų17467.7 Ų67.776%0.75733%0.333SS*.Hα-helixtrans-60.2-32.1174.8-64.6-177.3-179.2179.80112.3R59K55-R59 WeakPolarHBondContact O-CB 3.49Å; K55-R59 PolarHBondContact O-N 2.67Å
56L84.8Confident86.4Confident118 Ų11868.7 Ų68.762%0.61834%0.339SS*.Hα-helixtrans-71.9-50.4178.1-179.760.7000111.5S54 K58 R59 R60S54-L56 PolarHBondContact O-N 2.82Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 3.38Å; L56-R59 PolarHBondContact O-N 2.72Å; L56-R60 HydrophobicContact CD1-CG 4.33Å; L56-R60 WeakPolarHBondContact O-CG 3.46Å; L56-R60 PolarHBondContact O-N 2.94Å
57V85.3Confident86Confident34 Ų3467.4 Ų67.421%0.20634%0.339CS..Hα-helixtrans-59.2-45.9176.3168.20000110.6S54 R59 R60 L61 L71 F106S54-V57 PolarHBondContact O-N 3.34Å; S54-V57 WeakPolarHBondContact OG-CB 3.46Å; S54-V57 VanDerWaalsContact OG-CG2 3.31Å; S54-V57 WeakPolarHBondContact OG-CG2 3.43Å; S54-V57 PolarHBondContact OG-N 3.07Å; S54-V57 VanDerWaalsContact OG-N 3.07Å; V57-R59 PolarHBondContact O-N 2.85Å; V57-R60 PolarHBondContact O-N 3.37Å; V57-L61 HydrophobicContact CG1-CD1 3.82Å; V57-L61 HydrophobicContact CG1-CG 4.4Å; V57-L61 WeakPolarHBondContact O-CB 3.48Å; V57-L61 WeakPolarHBondContact O-CG 3.48Å; V57-L61 PolarHBondContact O-N 3.19Å; V57-L71 HydrophobicContact CG1-CD1 3.49Å; V57-L71 VanDerWaalsContact CG1-CD1 3.49Å; V57-L71 HydrophobicContact CG2-CD1 4.45Å; V57-F106 HydrophobicContact CG1-CE2 3.93Å; V57-F106 HydrophobicContact CG1-CZ 4.2Å
58K87.6Confident85.8Confident26 Ų2665.2 Ų65.211%0.11331%0.314CS..Hα-helixtrans-54.9-50.6173.7180-174155.6179.10111.6S54 L56 R60 L61 Q62 D104 F106 I109S54-K58 WeakPolarHBondContact O-CB 3.25Å; S54-K58 PolarHBondContact O-N 2.79Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 3.38Å; K58-R60 PolarHBondContact O-N 3.14Å; K58-L61 PolarHBondContact O-N 3.12Å; K58-Q62 VanDerWaalsContact CE-OE1 3.22Å; K58-Q62 HydrophobicContact CG-CG 4.44Å; K58-Q62 WeakPolarHBondContact O-CB 3.29Å; K58-Q62 WeakPolarHBondContact O-CG 3.37Å; K58-Q62 PolarHBondContact O-N 3.23Å; K58-D104 VanDerWaalsContact CE-O 3.32Å; K58-D104 WeakPolarHBondContact CE-O 3.33Å; K58-D104 VanDerWaalsContact CE-OD1 3.25Å; K58-D104 WeakPolarHBondContact CE-OD1 3.39Å; K58-D104 PolarHBondContact NZ-O 2.7Å; K58-D104 IonicContact NZ-OD1 3.54Å; K58-D104 PolarHBondContact NZ-OD1 3.11Å; K58-D104 IonicContact NZ-OD2 3.12Å; K58-D104 PolarHBondContact NZ-OD2 3.2Å; K58-F106 HydrophobicContact CB-CD2 4.11Å; K58-I109 HydrophobicContact CD-CD1 4.08Å; K58-I109 HydrophobicContact CG-CD1 3.87Å
59R86.6Confident85.1Confident153 Ų15367 Ų6758%0.57733%0.325SS*.Hα-helixtrans-60.4-41.5177.5-93.4-178.560.5127.1-6.2112.7K55 L56 V57 Q62 Q63K55-R59 WeakPolarHBondContact O-CB 3.49Å; K55-R59 PolarHBondContact O-N 2.67Å; L56-R59 PolarHBondContact O-N 2.72Å; V57-R59 PolarHBondContact O-N 2.85Å; R59-Q62 PolarHBondContact O-N 3.49Å; R59-Q63 WeakPolarHBondContact O-CB 3.37Å; R59-Q63 VanDerWaalsContact O-CG 3.31Å; R59-Q63 WeakPolarHBondContact O-CG 3.47Å; R59-Q63 PolarHBondContact O-N 3.37Å
60R86.3Confident84.6Confident119 Ų11970.9 Ų70.945%0.44934%0.341SS..Hα-helixtrans-69.2-39179.9-68.5-172.473.8136.3-0.1112L56 V57 K58 Q63 D64 K65 V66L56-R60 HydrophobicContact CD1-CG 4.33Å; L56-R60 WeakPolarHBondContact O-CG 3.46Å; L56-R60 PolarHBondContact O-N 2.94Å; V57-R60 PolarHBondContact O-N 3.37Å; K58-R60 PolarHBondContact O-N 3.14Å; R60-Q63 CarbonylContact O-C 3.45Å; R60-Q63 PolarHBondContact O-N 2.85Å; R60-D64 PolarHBondContact O-N 2.83Å; R60-D64 VanDerWaalsContact O-N 3.07Å; R60-K65 HydrophobicContact CB-CB 4.36Å; R60-K65 HydrophobicContact CG-CB 4.49Å; R60-K65 PolarHBondContact NE-O 3.34Å; R60-K65 PolarHBondContact NH2-O 3.1Å; R60-K65 PolarHBondContact O-N 3.37Å; R60-V66 HydrophobicContact CB-CB 4.11Å; R60-V66 HydrophobicContact CB-CG1 3.74Å
61L87.5Confident84Confident2 Ų271.2 Ų71.21%0.0134%0.343CS..Hα-helixtrans-66.2-38172-72.4169.3000112.5V57 K58 Q63 D64 V66 V68 F106 I109 K113V57-L61 HydrophobicContact CG1-CD1 3.82Å; V57-L61 HydrophobicContact CG1-CG 4.4Å; V57-L61 WeakPolarHBondContact O-CB 3.48Å; V57-L61 WeakPolarHBondContact O-CG 3.48Å; V57-L61 PolarHBondContact O-N 3.19Å; K58-L61 PolarHBondContact O-N 3.12Å; L61-Q63 VanDerWaalsContact C-N 3.29Å; L61-Q63 PolarHBondContact O-N 3.48Å; L61-D64 PolarHBondContact O-N 3.35Å; L61-V66 HydrophobicContact CD2-CG1 3.71Å; L61-V66 HydrophobicContact CG-CG1 3.81Å; L61-V68 HydrophobicContact CD2-CG2 4.07Å; L61-F106 HydrophobicContact CD1-CE2 3.99Å; L61-I109 HydrophobicContact CB-CG2 4.39Å; L61-K113 WeakPolarHBondContact O-CE 3.44Å
62Q87.4Confident83.6Confident82 Ų8271.2 Ų71.238%0.38334%0.343SS..Hα-helixtrans-68-26.9174.5-76.3178.1-55.300113.1K58 R59 D104 I109K58-Q62 VanDerWaalsContact CE-OE1 3.22Å; K58-Q62 HydrophobicContact CG-CG 4.44Å; K58-Q62 WeakPolarHBondContact O-CB 3.29Å; K58-Q62 WeakPolarHBondContact O-CG 3.37Å; K58-Q62 PolarHBondContact O-N 3.23Å; R59-Q62 PolarHBondContact O-N 3.49Å; Q62-D104 PolarHBondContact NE2-OD1 3.09Å; Q62-I109 HydrophobicContact CG-CD1 3.86Å; Q62-I109 HydrophobicContact CG-CG1 4.39Å; Q62-I109 HydrophobicContact CG-CG2 4.02Å
63Q86.9Confident83.2Confident86 Ų8672.4 Ų72.440%0.40234%0.343SS..THydrogen-bonded Turntrans-99.25.9178.9-67.3-175.4-1.900113.5R59 R60 L61 K65R59-Q63 WeakPolarHBondContact O-CB 3.37Å; R59-Q63 VanDerWaalsContact O-CG 3.31Å; R59-Q63 WeakPolarHBondContact O-CG 3.47Å; R59-Q63 PolarHBondContact O-N 3.37Å; R60-Q63 CarbonylContact O-C 3.45Å; R60-Q63 PolarHBondContact O-N 2.85Å; L61-Q63 VanDerWaalsContact C-N 3.29Å; L61-Q63 PolarHBondContact O-N 3.48Å; Q63-K65 HydrophobicContact CB-CD 4.02Å; Q63-K65 HydrophobicContact CB-CG 4.03Å; Q63-K65 PolarHBondContact O-N 3.12Å; Q63-K65 VanDerWaalsContact O-N 3.09Å
64D84.6Confident81.9Confident113 Ų11372.2 Ų72.260%0.60436%0.355SS*.THydrogen-bonded Turntrans5326.1-173.4-70.6-81000114.6R60 L61 V66 K113R60-D64 PolarHBondContact O-N 2.83Å; R60-D64 VanDerWaalsContact O-N 3.07Å; L61-D64 PolarHBondContact O-N 3.35Å; D64-V66 VanDerWaalsContact C-N 3.33Å; D64-K113 WeakPolarHBondContact OD1-CE 3.36Å; D64-K113 IonicContact OD1-NZ 2.97Å; D64-K113 PolarHBondContact OD1-NZ 3.19Å; D64-K113 IonicContact OD2-NZ 3.58Å; D64-K113 PolarHBondContact OD2-NZ 2.9Å
65K84.7Confident80.3Confident123 Ų12376.8 Ų76.854%0.53538%0.376SS..SBendtrans-92.415.7178-67.8178.5-175.8168.80113.7R60 Q63R60-K65 HydrophobicContact CB-CB 4.36Å; R60-K65 HydrophobicContact CG-CB 4.49Å; R60-K65 PolarHBondContact NE-O 3.34Å; R60-K65 PolarHBondContact NH2-O 3.1Å; R60-K65 PolarHBondContact O-N 3.37Å; Q63-K65 HydrophobicContact CB-CD 4.02Å; Q63-K65 HydrophobicContact CB-CG 4.03Å; Q63-K65 PolarHBondContact O-N 3.12Å; Q63-K65 VanDerWaalsContact O-N 3.09Å
66V83.6Confident78.7Confident22 Ų2271.1 Ų71.113%0.13337%0.367CS..SBendtrans-160.5135.116874.60000106.9R60 L61 D64 E70 L71R60-V66 HydrophobicContact CB-CB 4.11Å; R60-V66 HydrophobicContact CB-CG1 3.74Å; L61-V66 HydrophobicContact CD2-CG1 3.71Å; L61-V66 HydrophobicContact CG-CG1 3.81Å; D64-V66 VanDerWaalsContact C-N 3.33Å; V66-E70 WeakPolarHBondContact CA-OE2 3.4Å; V66-E70 VanDerWaalsContact CG2-CD 3.46Å; V66-E70 HydrophobicContact CG2-CG 4.13Å; V66-E70 WeakPolarHBondContact CG2-OE2 3.48Å; V66-L71 HydrophobicContact CG1-CD1 4.43Å
67S83.5Confident77Confident51 Ų5175.1 Ų75.136%0.35738%0.38SS..  trans-86.3153.8177.269.60000111.2T69 E70 L71S67-T69 WeakPolarHBondContact CB-OG1 3.44Å; S67-T69 PolarHBondContact O-N 2.93Å; S67-T69 PolarHBondContact OG-OG1 2.81Å; S67-E70 PolarHBondContact N-OE2 3.32Å; S67-E70 PolarHBondContact O-N 2.79Å; S67-E70 WeakPolarHBondContact OG-CB 3.37Å; S67-E70 PolarHBondContact OG-N 2.88Å; S67-E70 VanDerWaalsContact OG-N 3.11Å; S67-E70 PolarHBondContact OG-OE2 3.25Å; S67-L71 WeakPolarHBondContact O-CB 3.01Å; S67-L71 PolarHBondContact O-N 3.41Å
68V82.6Confident75.6Confident9 Ų976.3 Ų76.36%0.05539%0.387CS..Hα-helixtrans-68.9-29.5175.8-169.90000111.1L61 L71 L72 L110 K113 L114L61-V68 HydrophobicContact CD2-CG2 4.07Å; V68-L71 PolarHBondContact O-N 2.87Å; V68-L72 HydrophobicContact CG1-CD1 3.96Å; V68-L72 HydrophobicContact CG1-CG 4.3Å; V68-L72 WeakPolarHBondContact O-CB 3.48Å; V68-L72 VanDerWaalsContact O-CG 3.22Å; V68-L72 WeakPolarHBondContact O-CG 3.32Å; V68-L72 PolarHBondContact O-N 3Å; V68-L110 HydrophobicContact CG1-CD1 4.38Å; V68-K113 HydrophobicContact CG2-CB 3.47Å; V68-K113 VanDerWaalsContact CG2-CB 3.47Å; V68-K113 HydrophobicContact CG2-CG 4.47Å; V68-L114 HydrophobicContact CG1-CD2 3.49Å; V68-L114 VanDerWaalsContact CG1-CD2 3.49Å; V68-L114 HydrophobicContact CG1-CG 4.02Å
69T77.9Confident74Confident41 Ų4182.8 Ų82.825%0.25242%0.415SS..Hα-helixtrans-62-48.2173.131.20000113.2S67 L72 Q73 L82 T117S67-T69 WeakPolarHBondContact CB-OG1 3.44Å; S67-T69 PolarHBondContact O-N 2.93Å; S67-T69 PolarHBondContact OG-OG1 2.81Å; T69-L72 PolarHBondContact O-N 3.19Å; T69-Q73 WeakPolarHBondContact O-CG 3.49Å; T69-Q73 PolarHBondContact O-N 3.49Å; T69-L82 HydrophobicContact CG2-CD1 3.64Å; T69-L82 HydrophobicContact CG2-CD2 3.73Å; T69-L82 HydrophobicContact CG2-CG 4.33Å; T69-T117 HydrophobicContact CG2-CG2 4.37Å
70E80.1Confident72.7Confident107 Ų10776 Ų7650%0.539%0.391SS..Hα-helixtrans-60.6-45.6174173.1-172-177.900110.8V66 S67 L72 Q73V66-E70 WeakPolarHBondContact CA-OE2 3.4Å; V66-E70 VanDerWaalsContact CG2-CD 3.46Å; V66-E70 HydrophobicContact CG2-CG 4.13Å; V66-E70 WeakPolarHBondContact CG2-OE2 3.48Å; S67-E70 PolarHBondContact N-OE2 3.32Å; S67-E70 PolarHBondContact O-N 2.79Å; S67-E70 WeakPolarHBondContact OG-CB 3.37Å; S67-E70 PolarHBondContact OG-N 2.88Å; S67-E70 VanDerWaalsContact OG-N 3.11Å; S67-E70 PolarHBondContact OG-OE2 3.25Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 2.86Å; E70-Q73 CarbonylContact O-C 3.55Å; E70-Q73 PolarHBondContact O-N 3.44Å
71L79.4Confident71.4Confident32 Ų3273.7 Ų73.717%0.16839%0.385CS..Hα-helixtrans-69.9-22.3-178.8-168.7142.3000113.7V51 V57 V66 S67 V68V51-L71 HydrophobicContact CB-CD2 3.93Å; V51-L71 HydrophobicContact CG1-CD2 3.43Å; V51-L71 VanDerWaalsContact CG1-CD2 3.43Å; V51-L71 HydrophobicContact CG2-CD2 3.58Å; V57-L71 HydrophobicContact CG1-CD1 3.49Å; V57-L71 VanDerWaalsContact CG1-CD1 3.49Å; V57-L71 HydrophobicContact CG2-CD1 4.45Å; V66-L71 HydrophobicContact CG1-CD1 4.43Å; S67-L71 WeakPolarHBondContact O-CB 3.01Å; S67-L71 PolarHBondContact O-N 3.41Å; V68-L71 PolarHBondContact O-N 2.87Å
72L78.5Confident70Confident2 Ų278.6 Ų78.61%0.0141%0.411CS..THydrogen-bonded Turntrans-87.4-9.6171.3-72.5169.1000113.7L30 I32 V49 V51 V68 T69 E70 P74 V80 L114 F118L30-L72 HydrophobicContact CD2-CD1 3.98Å; I32-L72 HydrophobicContact CD1-CD1 4.42Å; I32-L72 HydrophobicContact CD1-CD2 3.87Å; I32-L72 HydrophobicContact CG1-CD2 4.03Å; V49-L72 HydrophobicContact CB-CD2 4.33Å; V49-L72 HydrophobicContact CG1-CD2 4Å; V51-L72 HydrophobicContact CG2-CD2 3.97Å; V68-L72 HydrophobicContact CG1-CD1 3.96Å; V68-L72 HydrophobicContact CG1-CG 4.3Å; V68-L72 WeakPolarHBondContact O-CB 3.48Å; V68-L72 VanDerWaalsContact O-CG 3.22Å; V68-L72 WeakPolarHBondContact O-CG 3.32Å; V68-L72 PolarHBondContact O-N 3Å; T69-L72 PolarHBondContact O-N 3.19Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 2.86Å; L72-P74 VanDerWaalsContact C-CD 3.45Å; L72-V80 HydrophobicContact CB-CG2 4.43Å; L72-L114 HydrophobicContact CD1-CD2 4.36Å; L72-F118 HydrophobicContact CD1-CE2 4.22Å; L72-F118 HydrophobicContact CD1-CZ 4.07Å
73Q70.6Confident68.3Low76 Ų7678.6 Ų78.636%0.35543%0.433SS..  trans-129.144.4-176.2-60.6-170.118.900114.7T69 E70 N75 V80T69-Q73 WeakPolarHBondContact O-CG 3.49Å; T69-Q73 PolarHBondContact O-N 3.49Å; E70-Q73 CarbonylContact O-C 3.55Å; E70-Q73 PolarHBondContact O-N 3.44Å; Q73-N75 PolarHBondContact O-N 3.04Å; Q73-N75 VanDerWaalsContact O-N 3.16Å; Q73-V80 HydrophobicContact CG-CG2 4.08Å; Q73-V80 VanDerWaalsContact NE2-CB 3.35Å
74P56.3Low67Low103 Ų10382.4 Ų82.467%0.66944%0.444SS*.THydrogen-bonded Turntrans-60-31.6-177.324.9-34.7000113.9L72L72-P74 VanDerWaalsContact C-CD 3.45Å
75N47.4Very low66.2Low139 Ų13984.4 Ų84.474%0.74345%0.447SS*.THydrogen-bonded Turntrans-128.823.1-172.9-68.7-20.6000113.7Q73 K77Q73-N75 PolarHBondContact O-N 3.04Å; Q73-N75 VanDerWaalsContact O-N 3.16Å; N75-K77 PolarHBondContact O-N 2.99Å
76G50.9Low66Low56 Ų5680 Ų8058%0.57743%0.428SS*.SBendtrans66.2-16.1173.300000118.6V78G76-V78 PolarHBondContact O-N 2.93Å; G76-V78 VanDerWaalsContact O-N 3.12Å
77K48.8Very low66.2Low201 Ų20180.6 Ų80.687%0.87443%0.43SS*.  trans-65.8-12.8-174.7-66.2-172.7179.5-175.50115.4N75N75-K77 PolarHBondContact O-N 2.99Å
78V55.6Low66.5Low60 Ų6078.2 Ų78.236%0.36441%0.413SS..SBendtrans-117.999.3178-176.30000109.7V49 G76 V80V49-V78 HydrophobicContact CG2-CG2 4.19Å; G76-V78 PolarHBondContact O-N 2.93Å; G76-V78 VanDerWaalsContact O-N 3.12Å; V78-V80 HydrophobicContact CG1-CG2 3.97Å; V78-V80 PolarHBondContact O-N 2.91Å
79K53.9Low67Low161 Ų16177.8 Ų77.870%0.741%0.41SS*.  trans-75.885178-167.2-166-175.1-161.20110.9E81K79-E81 HydrophobicContact CD-CG 4.15Å; K79-E81 WeakPolarHBondContact CE-OE1 3.24Å; K79-E81 HydrophobicContact CG-CG 4.25Å; K79-E81 IonicContact NZ-OE1 2.69Å; K79-E81 PolarHBondContact NZ-OE1 2.85Å; K79-E81 PolarHBondContact O-N 3.28Å
80V60.6Low67.8Low11 Ų1175.8 Ų75.87%0.06740%0.398CS..  trans-74.294176.1-1660000109.6L72 Q73 V78 L82 F118L72-V80 HydrophobicContact CB-CG2 4.43Å; Q73-V80 HydrophobicContact CG-CG2 4.08Å; Q73-V80 VanDerWaalsContact NE2-CB 3.35Å; V78-V80 HydrophobicContact CG1-CG2 3.97Å; V78-V80 PolarHBondContact O-N 2.91Å; V80-L82 HydrophobicContact CB-CD1 4.37Å; V80-L82 HydrophobicContact CG1-CD1 3.9Å; V80-L82 PolarHBondContact O-N 3.33Å; V80-F118 HydrophobicContact CG1-CE1 3.74Å; V80-F118 HydrophobicContact CG1-CZ 3.87Å
81E58.8Low68.5Low71 Ų7170.7 Ų70.733%0.33237%0.374SS..  trans-72.987.7177.1-67.5-165.6165.400111.8K79 G83 R84K79-E81 HydrophobicContact CD-CG 4.15Å; K79-E81 WeakPolarHBondContact CE-OE1 3.24Å; K79-E81 HydrophobicContact CG-CG 4.25Å; K79-E81 IonicContact NZ-OE1 2.69Å; K79-E81 PolarHBondContact NZ-OE1 2.85Å; K79-E81 PolarHBondContact O-N 3.28Å; E81-G83 PolarHBondContact O-N 3.36Å; E81-R84 PolarHBondContact O-N 3.29Å; E81-R84 IonicContact OE1-NH2 2.73Å; E81-R84 IonicContact OE2-CZ 3.51Å; E81-R84 IonicContact OE2-NE 3.71Å; E81-R84 PolarHBondContact OE2-NE 3.2Å; E81-R84 IonicContact OE2-NH2 2.67Å; E81-R84 PolarHBondContact OE2-NH2 3Å
82L57Low69.1Low105 Ų10570.5 Ų70.555%0.5537%0.373SS..THydrogen-bonded Turntrans-58.6106.1169.1-91.470.7000109.6T69 V80 T117T69-L82 HydrophobicContact CG2-CD1 3.64Å; T69-L82 HydrophobicContact CG2-CD2 3.73Å; T69-L82 HydrophobicContact CG2-CG 4.33Å; V80-L82 HydrophobicContact CB-CD1 4.37Å; V80-L82 HydrophobicContact CG1-CD1 3.9Å; V80-L82 PolarHBondContact O-N 3.33Å; L82-T117 HydrophobicContact CD2-CG2 3.94Å; L82-T117 HydrophobicContact CG-CG2 4.35Å
83G51.7Low69.7Low82 Ų8273.9 Ų73.985%0.84539%0.389SS*.THydrogen-bonded Turntrans147.5-25-178.500000113.9E81E81-G83 PolarHBondContact O-N 3.36Å
84R59.7Low70.6Confident166 Ų16673.9 Ų73.963%0.62640%0.397SS*.SBendtrans-90.9155.4173.9-55.9-165.5-159.8-122.25.9111.7E81 Q86E81-R84 PolarHBondContact O-N 3.29Å; E81-R84 IonicContact OE1-NH2 2.73Å; E81-R84 IonicContact OE2-CZ 3.51Å; E81-R84 IonicContact OE2-NE 3.71Å; E81-R84 PolarHBondContact OE2-NE 3.2Å; E81-R84 IonicContact OE2-NH2 2.67Å; E81-R84 PolarHBondContact OE2-NH2 3Å; R84-Q86 VanDerWaalsContact C-N 3.27Å; R84-Q86 PolarHBondContact O-N 2.92Å
85K69.6Low72.1Confident155 Ų15570.3 Ų70.367%0.67438%0.375SS*.  trans-68.980.5171.1-70.2-177-179.5178.10110.7H119K85-H119 VanDerWaalsContact C-CE1 3.49Å
86Q79.6Confident73.5Confident31 Ų3171.2 Ų71.215%0.14537%0.372CS..  trans-90.4129.1177.2-160.117440.900110.6R28 L30 R84 H119R28-Q86 CarbonylContact O-C 3.58Å; R28-Q86 VanDerWaalsContact O-CA 3.31Å; R28-Q86 WeakPolarHBondContact O-CA 3.45Å; R28-Q86 WeakPolarHBondContact O-CG 3.42Å; L30-Q86 HydrophobicContact CB-CG 4.24Å; R84-Q86 VanDerWaalsContact C-N 3.27Å; R84-Q86 PolarHBondContact O-N 2.92Å; Q86-H119 PolarHBondContact N-ND1 2.85Å; Q86-H119 PolarHBondContact O-CE1 3.41Å; Q86-H119 PolarHBondContact O-ND1 2.66Å
87E87.3Confident74.7Confident34 Ų3473.8 Ų73.816%0.15937%0.369CS..EExtended strand (participates in β ladder)trans-91.8111.4177.2-177.4154.1166.900108.5M13 R17 R28 L29 L30 K120M13-E87 HydrophobicContact CE-CG 4.07Å; M13-E87 WeakPolarHBondContact CE-OE1 3.42Å; R17-E87 IonicContact CZ-OE1 3.15Å; R17-E87 IonicContact NE-OE1 3.91Å; R17-E87 IonicContact NH2-OE1 3.88Å; R17-E87 PolarHBondContact NH2-OE1 2.93Å; R17-E87 IonicContact NH2-OE2 3.04Å; R28-E87 PolarHBondContact O-N 3.12Å; L29-E87 WeakPolarHBondContact CA-O 3.39Å; L30-E87 PolarHBondContact N-O 2.88Å; E87-K120 HydrophobicContact CB-CD 4.49Å; E87-K120 HydrophobicContact CG-CD 3.92Å; E87-K120 HydrophobicContact CG-CG 4.41Å; E87-K120 WeakPolarHBondContact OE1-CE 3.19Å; E87-K120 IonicContact OE1-NZ 2.65Å; E87-K120 PolarHBondContact OE1-NZ 3.31Å; E87-K120 WeakPolarHBondContact OE2-CE 3.31Å; E87-K120 IonicContact OE2-NZ 2.87Å; E87-K120 PolarHBondContact OE2-NZ 3.44Å
88V90.7Very high75.8Confident0 Ų064.5 Ų64.50%033%0.33CS..EExtended strand (participates in β ladder)trans-98131.6-177.1-174.10000110.1L30 I32 L114 F118 K120 V121 S122L30-V88 HydrophobicContact CB-CG2 4.32Å; L30-V88 HydrophobicContact CD2-CG1 4.35Å; L30-V88 HydrophobicContact CD2-CG2 4.25Å; L30-V88 HydrophobicContact CG-CG1 4.47Å; L30-V88 CarbonylContact O-C 3.49Å; L30-V88 WeakPolarHBondContact O-CA 3.32Å; I32-V88 HydrophobicContact CD1-CG1 3.52Å; I32-V88 HydrophobicContact CG1-CG1 4.25Å; V88-L114 HydrophobicContact CG1-CD1 4.33Å; V88-L114 HydrophobicContact CG1-CD2 4.35Å; V88-F118 HydrophobicContact CG2-CB 3.72Å; V88-F118 HydrophobicContact CG2-CD1 3.61Å; V88-F118 HydrophobicContact CG2-CD2 4.1Å; V88-F118 HydrophobicContact CG2-CE1 4.23Å; V88-F118 HydrophobicContact CG2-CG 3.53Å; V88-K120 PolarHBondContact N-O 2.86Å; V88-V121 HydrophobicContact CB-CG2 4.36Å; V88-V121 CarbonylContact O-C 3.3Å; V88-V121 WeakPolarHBondContact O-CA 3.49Å; V88-S122 PolarHBondContact O-N 3.46Å
89V93.3Very high76.4Confident0 Ų064.9 Ų64.90%035%0.346CS..EExtended strand (participates in β ladder)trans-124112.1179.9-172.80000109.2M13 L18 L29 L30 V31 I32 S122 L124M13-V89 HydrophobicContact CB-CG1 4.49Å; M13-V89 HydrophobicContact CE-CG2 3.44Å; M13-V89 VanDerWaalsContact CE-CG2 3.44Å; M13-V89 HydrophobicContact SD-CG1 4.13Å; M13-V89 HydrophobicContact SD-CG2 3.56Å; M13-V89 VanDerWaalsContact SD-CG2 3.56Å; L18-V89 HydrophobicContact CD1-CB 4.38Å; L18-V89 HydrophobicContact CD1-CG1 4.29Å; L18-V89 HydrophobicContact CD1-CG2 4.26Å; L18-V89 HydrophobicContact CD2-CG1 4.23Å; L29-V89 HydrophobicContact CD1-CG2 3.75Å; L30-V89 PolarHBondContact O-N 3.07Å; V31-V89 CarbonylContact C-O 3.54Å; V31-V89 WeakPolarHBondContact CA-O 3.28Å; I32-V89 PolarHBondContact N-O 3.39Å; V89-S122 CarbonylContact C-O 3.57Å; V89-S122 WeakPolarHBondContact CA-O 3.33Å; V89-L124 HydrophobicContact CG1-CB 4.18Å; V89-L124 HydrophobicContact CG1-CD1 4.46Å
90V94.3Very high77.3Confident0 Ų064.7 Ų64.70%035%0.347CS..EExtended strand (participates in β ladder)trans-95.6137.3175.9-1730000108.7I32 V107 L110 M111 L114 V121 S122 L123 L124I32-V90 HydrophobicContact CB-CG2 4.33Å; I32-V90 HydrophobicContact CD1-CG2 4.44Å; I32-V90 HydrophobicContact CG2-CG1 4.37Å; I32-V90 WeakPolarHBondContact O-CA 3.48Å; V90-V107 HydrophobicContact CG1-CG1 4.1Å; V90-L110 HydrophobicContact CG1-CD2 4.13Å; V90-M111 HydrophobicContact CB-CG 4.43Å; V90-M111 HydrophobicContact CG2-CG 4.25Å; V90-L114 HydrophobicContact CG2-CD1 3.4Å; V90-V121 HydrophobicContact CG2-CG1 4.15Å; V90-S122 PolarHBondContact N-O 3.39Å; V90-L123 CarbonylContact O-C 3.49Å; V90-L123 WeakPolarHBondContact O-CA 3.43Å; V90-L124 PolarHBondContact O-N 2.87Å
91Y94.3Very high78.3Confident0 Ų065.1 Ų65.10%035%0.349CS..EExtended strand (participates in β ladder)trans-134.1153.2169.970.7-100.7000112.3V31 I32 D33 S34 H44 V45 A48 L124 F128V31-Y91 HydrophobicContact CG1-CD1 3.81Å; V31-Y91 HydrophobicContact CG1-CE1 3.62Å; I32-Y91 PolarHBondContact O-N 3.39Å; D33-Y91 HydrophobicContact CB-CE1 4.11Å; D33-Y91 HydrophobicContact CB-CE2 3.81Å; D33-Y91 WeakPolarHBondContact CB-OH 3.45Å; D33-Y91 WeakPolarHBondContact OD1-CE2 3.34Å; D33-Y91 WeakPolarHBondContact OD2-CE2 3.49Å; D33-Y91 PolarHBondContact OD2-OH 3.23Å; S34-Y91 WeakPolarHBondContact CB-O 3.45Å; S34-Y91 PolarHBondContact N-O 2.9Å; S34-Y91 PolarHBondContact OG-O 3.12Å; H44-Y91 WeakPolarHBondContact CB-OH 3.01Å; V45-Y91 HydrophobicContact CB-CE1 3.72Å; V45-Y91 HydrophobicContact CG2-CD1 4.14Å; V45-Y91 HydrophobicContact CG2-CE1 3.48Å; V45-Y91 VanDerWaalsContact CG2-CE1 3.48Å; V45-Y91 HydrophobicContact CG2-CE2 4.36Å; V45-Y91 PolarHBondContact N-OH 3.27Å; A48-Y91 HydrophobicContact CB-CE1 3.97Å; Y91-L124 HydrophobicContact CD1-CD2 4.28Å; Y91-L124 HydrophobicContact CG-CD2 4.14Å; Y91-F128 HydrophobicContact CD2-CB 3.88Å; Y91-F128 HydrophobicContact CE2-CB 3.83Å; Y91-F128 AromaticContact CE2-CD2 3.88Å; Y91-F128 HydrophobicContact CE2-CD2 3.88Å; Y91-F128 HydrophobicContact CE2-CG 4.21Å
92D91.9Very high79.5Confident27 Ų2765.6 Ų65.614%0.14436%0.36CS..  trans-117.7-160.7165.9711.8000108.8S94 S95 V107 G127 F128D92-S94 PolarHBondContact OD1-N 3.01Å; D92-S95 VanDerWaalsContact OD1-CB 3.29Å; D92-S95 WeakPolarHBondContact OD1-CB 3.4Å; D92-S95 PolarHBondContact OD1-N 2.83Å; D92-S95 VanDerWaalsContact OD2-CB 3.23Å; D92-S95 WeakPolarHBondContact OD2-CB 3.27Å; D92-S95 PolarHBondContact OD2-OG 3.27Å; D92-V107 HydrophobicContact CB-CG2 4.06Å; D92-G127 CarbonylContact O-C 3.6Å; D92-G127 VanDerWaalsContact O-CA 3.29Å; D92-G127 WeakPolarHBondContact O-CA 3.32Å; D92-F128 PolarHBondContact O-N 2.73Å
93Q91.5Very high80.7Confident74 Ų7469.1 Ų69.135%0.34637%0.371SS..SBendtrans-71.5-30.8-178.3-17258.91600114.4R35 A129R35-Q93 HydrophobicContact CG-CB 4.4Å; Q93-A129 VanDerWaalsContact O-CB 3.24Å; Q93-A129 WeakPolarHBondContact O-CB 3.49Å; Q93-A129 PolarHBondContact O-N 2.82Å
94S90.1Very high82.2Confident75 Ų7569.5 Ų69.552%0.52435%0.354SS..SBendtrans-163.34.6-168.862.10000118.2D92 K96 G126D92-S94 PolarHBondContact OD1-N 3.01Å; S94-K96 PolarHBondContact O-N 3.37Å; S94-G126 WeakPolarHBondContact CA-O 3.19Å
95S86.7Confident83.5Confident28 Ų2862.7 Ų62.720%0.19634%0.335CS..  trans-62126.3-176.5-79.10000112.3D92 L101 G126D92-S95 VanDerWaalsContact OD1-CB 3.29Å; D92-S95 WeakPolarHBondContact OD1-CB 3.4Å; D92-S95 PolarHBondContact OD1-N 2.83Å; D92-S95 VanDerWaalsContact OD2-CB 3.23Å; D92-S95 WeakPolarHBondContact OD2-CB 3.27Å; D92-S95 PolarHBondContact OD2-OG 3.27Å; S95-L101 WeakPolarHBondContact OG-CD2 3.46Å; S95-G126 WeakPolarHBondContact O-CA 3.34Å; S95-G126 PolarHBondContact O-N 3.05Å
96K76.9Confident84.4Confident159 Ų15955.9 Ų55.969%0.69131%0.305SS*.  trans-86.2-36.4-176.4-62-174.3-179.4-177.10113.6S94S94-K96 PolarHBondContact O-N 3.37Å
97E77.1Confident84.9Confident109 Ų10955.1 Ų55.151%0.50930%0.303SS..  trans-141.1134.8-175.3-71.7-169-133.300113G99 H100E97-G99 PolarHBondContact O-N 3.21Å; E97-H100 PolarHBondContact O-N 3.44Å; E97-H100 VanDerWaalsContact O-N 3.09Å
98A72.3Confident85Confident7 Ų755.6 Ų55.66%0.05831%0.305CS..THydrogen-bonded Turntrans-66-17.6178.700000114.1R10 M111 L123R10-A98 HydrophobicContact CB-CB 3.46Å; R10-A98 VanDerWaalsContact CB-CB 3.46Å; R10-A98 HydrophobicContact CG-CB 4.45Å; A98-M111 HydrophobicContact CB-CE 4.32Å; A98-M111 HydrophobicContact CB-SD 4.5Å; A98-L123 HydrophobicContact CB-CB 3.92Å; A98-L123 HydrophobicContact CB-CD2 4.01Å
99G67.8Low85Confident67 Ų6756.5 Ų56.569%0.69131%0.31SS*.THydrogen-bonded Turntrans-77.3-22.3173.300000114.4E97E97-G99 PolarHBondContact O-N 3.21Å
100H73.5Confident84.8Confident158 Ų15856.5 Ų56.573%0.73131%0.31SS*.SBendtrans-92.9-1.4179-66.8173000113.2E97 S102E97-H100 PolarHBondContact O-N 3.44Å; E97-H100 VanDerWaalsContact O-N 3.09Å; H100-S102 PolarHBondContact O-N 3.17Å
101L81.2Confident84.6Confident20 Ų2056.5 Ų56.511%0.10531%0.31CS..SBendtrans-67.6116.7173.6-64.6178.1000110.7S95 K103 V107 H108 M111 L123S95-L101 WeakPolarHBondContact OG-CD2 3.46Å; L101-K103 PolarHBondContact O-N 3.33Å; L101-V107 HydrophobicContact CD1-CB 4.16Å; L101-V107 HydrophobicContact CD1-CG1 3.81Å; L101-V107 HydrophobicContact CD2-CB 4.24Å; L101-V107 HydrophobicContact CD2-CG1 4.36Å; L101-H108 HydrophobicContact CB-CB 4.13Å; L101-H108 PolarHBondContact O-ND1 2.67Å; L101-M111 HydrophobicContact CD1-SD 3.82Å; L101-L123 HydrophobicContact CD1-CD1 4.35Å; L101-L123 HydrophobicContact CD1-CD2 4.1Å; L101-L123 HydrophobicContact CD2-CD2 4.44Å; L101-L123 HydrophobicContact CG-CD2 4.36Å
102S82.6Confident84.4Confident80 Ų8058.1 Ų58.156%0.55933%0.326SS*.  trans-46.9137.3172.3175.30000111.7H100 D104 G105 H108H100-S102 PolarHBondContact O-N 3.17Å; S102-D104 PolarHBondContact O-N 3.15Å; S102-G105 WeakPolarHBondContact O-CA 3.4Å; S102-G105 PolarHBondContact O-N 3.39Å; S102-H108 WeakPolarHBondContact O-CB 3.27Å; S102-H108 PolarHBondContact O-ND1 3.08Å
103K82.9Confident84.2Confident179 Ų17959.8 Ų59.878%0.77833%0.332SS*.THydrogen-bonded Turntrans-61-26.7-178.4-66.9-178.3178-179.70113.6L101L101-K103 PolarHBondContact O-N 3.33Å
104D83.6Confident84.1Confident91 Ų9156.2 Ų56.249%0.48732%0.315SS..THydrogen-bonded Turntrans-96.43.4173.8-173.152.6000112.7K58 Q62 S102K58-D104 VanDerWaalsContact CE-O 3.32Å; K58-D104 WeakPolarHBondContact CE-O 3.33Å; K58-D104 VanDerWaalsContact CE-OD1 3.25Å; K58-D104 WeakPolarHBondContact CE-OD1 3.39Å; K58-D104 PolarHBondContact NZ-O 2.7Å; K58-D104 IonicContact NZ-OD1 3.54Å; K58-D104 PolarHBondContact NZ-OD1 3.11Å; K58-D104 IonicContact NZ-OD2 3.12Å; K58-D104 PolarHBondContact NZ-OD2 3.2Å; Q62-D104 PolarHBondContact NE2-OD1 3.09Å; S102-D104 PolarHBondContact O-N 3.15Å
105G86.3Confident84Confident23 Ų2356 Ų5624%0.23731%0.306CS..SBendtrans-68.4140.4174.900000111.9S102 V107 H108 I109S102-G105 WeakPolarHBondContact O-CA 3.4Å; S102-G105 PolarHBondContact O-N 3.39Å; G105-V107 VanDerWaalsContact C-N 3.35Å; G105-V107 PolarHBondContact O-N 3.31Å; G105-H108 VanDerWaalsContact O-CB 3.3Å; G105-H108 WeakPolarHBondContact O-CB 3.18Å; G105-H108 PolarHBondContact O-N 3.02Å; G105-H108 VanDerWaalsContact O-N 3.08Å; G105-I109 WeakPolarHBondContact O-CD1 3.5Å; G105-I109 WeakPolarHBondContact O-CG1 3.36Å; G105-I109 PolarHBondContact O-N 3.08Å; G105-I109 VanDerWaalsContact O-N 3.13Å
106F89Confident83.8Confident12 Ų1258 Ų585%0.05333%0.331CS..Hα-helixtrans-56.3-47-179.2175.2-121000112.8V51 Y53 V57 K58 L61 H108 I109 L110V51-F106 HydrophobicContact CG1-CE1 4.19Å; V51-F106 HydrophobicContact CG1-CZ 3.7Å; V51-F106 WeakPolarHBondContact O-CE1 3.48Å; Y53-F106 HydrophobicContact CD2-CB 3.45Å; Y53-F106 VanDerWaalsContact CD2-CB 3.45Å; Y53-F106 AromaticContact CD2-CD1 3.5Å; Y53-F106 HydrophobicContact CD2-CD1 3.5Å; Y53-F106 AromaticContact CD2-CD2 3.83Å; Y53-F106 HydrophobicContact CD2-CD2 3.83Å; Y53-F106 HydrophobicContact CD2-CE1 4.12Å; Y53-F106 HydrophobicContact CD2-CE2 4.41Å; Y53-F106 AromaticContact CD2-CG 3.31Å; Y53-F106 HydrophobicContact CD2-CG 3.31Å; Y53-F106 HydrophobicContact CE2-CB 3.58Å; Y53-F106 HydrophobicContact CE2-CD1 4.48Å; Y53-F106 HydrophobicContact CE2-CD2 4.36Å; Y53-F106 AromaticContact CE2-CG 3.92Å; Y53-F106 HydrophobicContact CE2-CG 3.92Å; Y53-F106 HydrophobicContact CG-CB 4.3Å; Y53-F106 AromaticContact CG-CD1 3.85Å; Y53-F106 HydrophobicContact CG-CD1 3.85Å; Y53-F106 HydrophobicContact CG-CE1 4.35Å; Y53-F106 HydrophobicContact CG-CG 4.12Å; V57-F106 HydrophobicContact CG1-CE2 3.93Å; V57-F106 HydrophobicContact CG1-CZ 4.2Å; K58-F106 HydrophobicContact CB-CD2 4.11Å; L61-F106 HydrophobicContact CD1-CE2 3.99Å; F106-H108 VanDerWaalsContact C-N 3.27Å; F106-H108 PolarHBondContact O-N 3.48Å; F106-I109 PolarHBondContact O-N 3.01Å; F106-L110 HydrophobicContact CE1-CD2 4.34Å; F106-L110 HydrophobicContact CZ-CD2 4.43Å; F106-L110 VanDerWaalsContact O-CB 3.32Å; F106-L110 WeakPolarHBondContact O-CB 3.49Å; F106-L110 PolarHBondContact O-N 3.19Å
107V89.9Confident84Confident15 Ų1553.4 Ų53.49%0.09132%0.317CS..Hα-helixtrans-58.5-39.2176.9-168.30000111.5V90 D92 L101 G105 I109 L110 M111 L123V90-V107 HydrophobicContact CG1-CG1 4.1Å; D92-V107 HydrophobicContact CB-CG2 4.06Å; L101-V107 HydrophobicContact CD1-CB 4.16Å; L101-V107 HydrophobicContact CD1-CG1 3.81Å; L101-V107 HydrophobicContact CD2-CB 4.24Å; L101-V107 HydrophobicContact CD2-CG1 4.36Å; G105-V107 VanDerWaalsContact C-N 3.35Å; G105-V107 PolarHBondContact O-N 3.31Å; V107-I109 PolarHBondContact O-N 3.49Å; V107-L110 PolarHBondContact O-N 3.44Å; V107-M111 HydrophobicContact CG1-CG 4.39Å; V107-M111 HydrophobicContact CG1-SD 4.33Å; V107-M111 WeakPolarHBondContact O-CB 3.45Å; V107-M111 VanDerWaalsContact O-CG 3.27Å; V107-M111 WeakPolarHBondContact O-CG 3.32Å; V107-M111 PolarHBondContact O-N 3.31Å; V107-L123 HydrophobicContact CG1-CD1 3.69Å
108H89.8Confident84.3Confident43 Ų4349.1 Ų49.120%0.19930%0.296CS..Hα-helixtrans-63.9-41.9178.4-170114.6000112.2R10 L101 S102 G105 F106 G112R10-H108 PolarHBondContact NH1-CD2 2.96Å; R10-H108 VanDerWaalsContact NH1-CD2 3.29Å; R10-H108 PolarHBondContact NH1-CE1 3.38Å; R10-H108 PolarHBondContact NH1-ND1 3.06Å; R10-H108 VanDerWaalsContact NH1-ND1 3.16Å; R10-H108 PolarHBondContact NH1-NE2 3.34Å; R10-H108 PolarHBondContact NH1-O 3.02Å; R10-H108 PolarHBondContact NH2-O 3.05Å; R10-H108 VanDerWaalsContact NH2-O 3.11Å; L101-H108 HydrophobicContact CB-CB 4.13Å; L101-H108 PolarHBondContact O-ND1 2.67Å; S102-H108 WeakPolarHBondContact O-CB 3.27Å; S102-H108 PolarHBondContact O-ND1 3.08Å; G105-H108 VanDerWaalsContact O-CB 3.3Å; G105-H108 WeakPolarHBondContact O-CB 3.18Å; G105-H108 PolarHBondContact O-N 3.02Å; G105-H108 VanDerWaalsContact O-N 3.08Å; F106-H108 VanDerWaalsContact C-N 3.27Å; F106-H108 PolarHBondContact O-N 3.48Å; H108-G112 PolarHBondContact O-N 2.88Å; H108-G112 VanDerWaalsContact O-N 3.08Å
109I89.9Confident84.7Confident20 Ų2054 Ų5410%0.10332%0.318CS..Hα-helixtrans-71.6-46179.1-63.8156000110K58 L61 Q62 G105 F106 V107 G112 K113K58-I109 HydrophobicContact CD-CD1 4.08Å; K58-I109 HydrophobicContact CG-CD1 3.87Å; L61-I109 HydrophobicContact CB-CG2 4.39Å; Q62-I109 HydrophobicContact CG-CD1 3.86Å; Q62-I109 HydrophobicContact CG-CG1 4.39Å; Q62-I109 HydrophobicContact CG-CG2 4.02Å; G105-I109 WeakPolarHBondContact O-CD1 3.5Å; G105-I109 WeakPolarHBondContact O-CG1 3.36Å; G105-I109 PolarHBondContact O-N 3.08Å; G105-I109 VanDerWaalsContact O-N 3.13Å; F106-I109 PolarHBondContact O-N 3.01Å; V107-I109 PolarHBondContact O-N 3.49Å; I109-G112 PolarHBondContact O-N 2.7Å; I109-K113 PolarHBondContact O-N 3.09Å
110L90.3Very high85.6Confident0 Ų053.4 Ų53.40%030%0.296CS..Hα-helixtrans-59.9-48.4177.6178.361.7000111.5I32 V51 V68 V90 F106 V107 G112 K113 L114I32-L110 HydrophobicContact CG2-CD2 4.22Å; V51-L110 HydrophobicContact CB-CD2 4.25Å; V51-L110 HydrophobicContact CG1-CD1 3.83Å; V51-L110 HydrophobicContact CG1-CD2 3.55Å; V51-L110 HydrophobicContact CG1-CG 4.34Å; V68-L110 HydrophobicContact CG1-CD1 4.38Å; V90-L110 HydrophobicContact CG1-CD2 4.13Å; F106-L110 HydrophobicContact CE1-CD2 4.34Å; F106-L110 HydrophobicContact CZ-CD2 4.43Å; F106-L110 VanDerWaalsContact O-CB 3.32Å; F106-L110 WeakPolarHBondContact O-CB 3.49Å; F106-L110 PolarHBondContact O-N 3.19Å; V107-L110 PolarHBondContact O-N 3.44Å; L110-G112 VanDerWaalsContact C-N 3.34Å; L110-G112 PolarHBondContact O-N 3.26Å; L110-K113 PolarHBondContact O-N 2.93Å; L110-L114 HydrophobicContact CD1-CD1 4.14Å; L110-L114 HydrophobicContact CD1-CG 4.36Å; L110-L114 HydrophobicContact CG-CD1 3.92Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 VanDerWaalsContact O-CG 3.29Å; L110-L114 WeakPolarHBondContact O-CG 3.48Å; L110-L114 PolarHBondContact O-N 3.39Å
111M90.1Very high86.4Confident0 Ų046.3 Ų46.30%026%0.264CS..Hα-helixtrans-58.2-45.4173-74.2-174.27900111.3R10 V90 A98 L101 V107 K113 L114 E115 V121 L123R10-M111 HydrophobicContact CB-CE 4.33Å; V90-M111 HydrophobicContact CB-CG 4.43Å; V90-M111 HydrophobicContact CG2-CG 4.25Å; A98-M111 HydrophobicContact CB-CE 4.32Å; A98-M111 HydrophobicContact CB-SD 4.5Å; L101-M111 HydrophobicContact CD1-SD 3.82Å; V107-M111 HydrophobicContact CG1-CG 4.39Å; V107-M111 HydrophobicContact CG1-SD 4.33Å; V107-M111 WeakPolarHBondContact O-CB 3.45Å; V107-M111 VanDerWaalsContact O-CG 3.27Å; V107-M111 WeakPolarHBondContact O-CG 3.32Å; V107-M111 PolarHBondContact O-N 3.31Å; M111-K113 VanDerWaalsContact C-N 3.31Å; M111-K113 PolarHBondContact O-N 2.81Å; M111-L114 PolarHBondContact O-N 2.86Å; M111-E115 VanDerWaalsContact O-CB 3.27Å; M111-E115 WeakPolarHBondContact O-CB 3.45Å; M111-E115 VanDerWaalsContact O-CD 3.31Å; M111-E115 WeakPolarHBondContact O-CG 3.4Å; M111-E115 PolarHBondContact O-N 3.04Å; M111-V121 HydrophobicContact CE-CG1 4.3Å; M111-V121 HydrophobicContact CG-CG1 4.45Å; M111-L123 HydrophobicContact CE-CB 4.01Å; M111-L123 HydrophobicContact SD-CB 4.01Å; M111-L123 HydrophobicContact SD-CD1 4.1Å
112G88.8Confident87Confident33 Ų3345.5 Ų45.534%0.3426%0.26SS..Hα-helixtrans-60.4-35.7178.800000114.2H108 I109 L110 E115H108-G112 PolarHBondContact O-N 2.88Å; H108-G112 VanDerWaalsContact O-N 3.08Å; I109-G112 PolarHBondContact O-N 2.7Å; L110-G112 VanDerWaalsContact C-N 3.34Å; L110-G112 PolarHBondContact O-N 3.26Å; G112-E115 WeakPolarHBondContact CA-OE2 3.25Å
113K88.9Confident87.5Confident62 Ų6241.8 Ų41.827%0.2723%0.234SC..Hα-helixtrans-76.2-41.5174.2-64.2-64.1-173177.50112L61 D64 V68 I109 L110 M111 E115 G116 T117L61-K113 WeakPolarHBondContact O-CE 3.44Å; D64-K113 WeakPolarHBondContact OD1-CE 3.36Å; D64-K113 IonicContact OD1-NZ 2.97Å; D64-K113 PolarHBondContact OD1-NZ 3.19Å; D64-K113 IonicContact OD2-NZ 3.58Å; D64-K113 PolarHBondContact OD2-NZ 2.9Å; V68-K113 HydrophobicContact CG2-CB 3.47Å; V68-K113 VanDerWaalsContact CG2-CB 3.47Å; V68-K113 HydrophobicContact CG2-CG 4.47Å; I109-K113 PolarHBondContact O-N 3.09Å; L110-K113 PolarHBondContact O-N 2.93Å; M111-K113 VanDerWaalsContact C-N 3.31Å; M111-K113 PolarHBondContact O-N 2.81Å; K113-E115 VanDerWaalsContact C-N 3.3Å; K113-E115 PolarHBondContact O-N 3.22Å; K113-G116 PolarHBondContact O-N 2.84Å; K113-G116 VanDerWaalsContact O-N 3.13Å; K113-T117 PolarHBondContact O-OG1 3.31Å
114L88.3Confident88.1Confident0 Ų033.2 Ų33.20%020%0.196CC..Hα-helixtrans-59.6-39.4173.2-73.3165.9000112.1I32 V68 L72 V88 V90 L110 M111 G116 T117 F118 V121I32-L114 HydrophobicContact CD1-CD1 3.76Å; I32-L114 HydrophobicContact CD1-CD2 3.86Å; I32-L114 HydrophobicContact CD1-CG 4.49Å; V68-L114 HydrophobicContact CG1-CD2 3.49Å; V68-L114 VanDerWaalsContact CG1-CD2 3.49Å; V68-L114 HydrophobicContact CG1-CG 4.02Å; L72-L114 HydrophobicContact CD1-CD2 4.36Å; V88-L114 HydrophobicContact CG1-CD1 4.33Å; V88-L114 HydrophobicContact CG1-CD2 4.35Å; V90-L114 HydrophobicContact CG2-CD1 3.4Å; L110-L114 HydrophobicContact CD1-CD1 4.14Å; L110-L114 HydrophobicContact CD1-CG 4.36Å; L110-L114 HydrophobicContact CG-CD1 3.92Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 VanDerWaalsContact O-CG 3.29Å; L110-L114 WeakPolarHBondContact O-CG 3.48Å; L110-L114 PolarHBondContact O-N 3.39Å; M111-L114 PolarHBondContact O-N 2.86Å; L114-G116 PolarHBondContact O-N 3.48Å; L114-T117 PolarHBondContact O-N 3.23Å; L114-F118 HydrophobicContact CB-CD2 4.38Å; L114-F118 HydrophobicContact CD2-CD2 3.63Å; L114-F118 HydrophobicContact CD2-CE2 3.53Å; L114-F118 PolarHBondContact O-N 3.38Å; L114-V121 HydrophobicContact CB-CG1 3.99Å; L114-V121 HydrophobicContact CB-CG2 3.76Å; L114-V121 HydrophobicContact CD1-CG1 4.25Å
115E87.9Confident88.5Confident70 Ų7031.3 Ų31.333%0.32719%0.188SC..Hα-helixtrans-62.7-20.1177.6-76.8159.5179.900112.6R10 M111 G112 K113 V121R10-E115 WeakPolarHBondContact CD-OE1 3.21Å; R10-E115 WeakPolarHBondContact CG-OE1 3.44Å; R10-E115 IonicContact CZ-OE1 2.71Å; R10-E115 IonicContact CZ-OE2 3.17Å; R10-E115 IonicContact NE-OE1 3.99Å; R10-E115 PolarHBondContact NE-OE1 3.34Å; R10-E115 IonicContact NE-OE2 2.65Å; R10-E115 PolarHBondContact NE-OE2 3.21Å; R10-E115 VanDerWaalsContact NE-OE2 3.12Å; R10-E115 IonicContact NH2-OE2 2.75Å; R10-E115 PolarHBondContact NH2-OE2 2.87Å; M111-E115 VanDerWaalsContact O-CB 3.27Å; M111-E115 WeakPolarHBondContact O-CB 3.45Å; M111-E115 VanDerWaalsContact O-CD 3.31Å; M111-E115 WeakPolarHBondContact O-CG 3.4Å; M111-E115 PolarHBondContact O-N 3.04Å; G112-E115 WeakPolarHBondContact CA-OE2 3.25Å; K113-E115 VanDerWaalsContact C-N 3.3Å; K113-E115 PolarHBondContact O-N 3.22Å; E115-V121 HydrophobicContact CG-CB 4.05Å; E115-V121 HydrophobicContact CG-CG2 4.16Å
116G82.7Confident88.5Confident71 Ų7130.7 Ų30.773%0.73218%0.182SC*.Hα-helixtrans-87-16.1171.300000114.9K113 L114K113-G116 PolarHBondContact O-N 2.84Å; K113-G116 VanDerWaalsContact O-N 3.13Å; L114-G116 PolarHBondContact O-N 3.48Å
117T81.3Confident88.7Confident62 Ų6230.1 Ų30.138%0.3818%0.179SC..Hα-helixtrans-111-30-175.5-510000113.2T69 L82 K113 L114T69-T117 HydrophobicContact CG2-CG2 4.37Å; L82-T117 HydrophobicContact CD2-CG2 3.94Å; L82-T117 HydrophobicContact CG-CG2 4.35Å; K113-T117 PolarHBondContact O-OG1 3.31Å; L114-T117 PolarHBondContact O-N 3.23Å
118F83.9Confident89Confident19 Ų1930.2 Ų30.28%0.08318%0.178CC..SBendtrans-120.9142.5-170.7-63.8-86.2000112.8L30 L72 V80 V88 L114 K120 V121L30-F118 HydrophobicContact CD2-CE1 4.42Å; L30-F118 HydrophobicContact CD2-CZ 4.34Å; L72-F118 HydrophobicContact CD1-CE2 4.22Å; L72-F118 HydrophobicContact CD1-CZ 4.07Å; V80-F118 HydrophobicContact CG1-CE1 3.74Å; V80-F118 HydrophobicContact CG1-CZ 3.87Å; V88-F118 HydrophobicContact CG2-CB 3.72Å; V88-F118 HydrophobicContact CG2-CD1 3.61Å; V88-F118 HydrophobicContact CG2-CD2 4.1Å; V88-F118 HydrophobicContact CG2-CE1 4.23Å; V88-F118 HydrophobicContact CG2-CG 3.53Å; L114-F118 HydrophobicContact CB-CD2 4.38Å; L114-F118 HydrophobicContact CD2-CD2 3.63Å; L114-F118 HydrophobicContact CD2-CE2 3.53Å; L114-F118 PolarHBondContact O-N 3.38Å; F118-K120 PolarHBondContact O-N 3.31Å; F118-K120 VanDerWaalsContact O-N 3.11Å; F118-V121 HydrophobicContact CB-CG2 4.08Å
119H79.8Confident89.1Confident109 Ų10930.1 Ų30.151%0.50519%0.185SC..SBendtrans-63.9-22-173.995.3-65.9000114.6K85 Q86K85-H119 VanDerWaalsContact C-CE1 3.49Å; Q86-H119 PolarHBondContact N-ND1 2.85Å; Q86-H119 PolarHBondContact O-CE1 3.41Å; Q86-H119 PolarHBondContact O-ND1 2.66Å
120K86.9Confident89.2Confident54 Ų5430.6 Ų30.624%0.23519%0.192CC..EExtended strand (participates in β ladder)trans-157.4115.8-175-177.4177.1174.9-175.50109.8E87 V88 F118E87-K120 HydrophobicContact CB-CD 4.49Å; E87-K120 HydrophobicContact CG-CD 3.92Å; E87-K120 HydrophobicContact CG-CG 4.41Å; E87-K120 WeakPolarHBondContact OE1-CE 3.19Å; E87-K120 IonicContact OE1-NZ 2.65Å; E87-K120 PolarHBondContact OE1-NZ 3.31Å; E87-K120 WeakPolarHBondContact OE2-CE 3.31Å; E87-K120 IonicContact OE2-NZ 2.87Å; E87-K120 PolarHBondContact OE2-NZ 3.44Å; V88-K120 PolarHBondContact N-O 2.86Å; F118-K120 PolarHBondContact O-N 3.31Å; F118-K120 VanDerWaalsContact O-N 3.11Å
121V90.9Very high89.4Confident10 Ų1030.6 Ų30.66%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-120.2135.7175.7-173.40000107.7S11 V88 V90 M111 L114 E115 F118S11-V121 WeakPolarHBondContact CB-O 3.29Å; V88-V121 HydrophobicContact CB-CG2 4.36Å; V88-V121 CarbonylContact O-C 3.3Å; V88-V121 WeakPolarHBondContact O-CA 3.49Å; V90-V121 HydrophobicContact CG2-CG1 4.15Å; M111-V121 HydrophobicContact CE-CG1 4.3Å; M111-V121 HydrophobicContact CG-CG1 4.45Å; L114-V121 HydrophobicContact CB-CG1 3.99Å; L114-V121 HydrophobicContact CB-CG2 3.76Å; L114-V121 HydrophobicContact CD1-CG1 4.25Å; E115-V121 HydrophobicContact CG-CB 4.05Å; E115-V121 HydrophobicContact CG-CG2 4.16Å; F118-V121 HydrophobicContact CB-CG2 4.08Å
122S93Very high89.6Confident2 Ų232 Ų321%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-134143.4179.2-55.60000111S11 V88 V89 V90S11-S122 WeakPolarHBondContact CB-OG 3.49Å; S11-S122 CarbonylContact O-C 3.06Å; S11-S122 VanDerWaalsContact O-CA 3.26Å; S11-S122 WeakPolarHBondContact O-CA 3.18Å; V88-S122 PolarHBondContact O-N 3.46Å; V89-S122 CarbonylContact C-O 3.57Å; V89-S122 WeakPolarHBondContact CA-O 3.33Å; V90-S122 PolarHBondContact N-O 3.39Å
123L93.9Very high89.6Confident2 Ų234.8 Ų34.81%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-84.5138.7165.6-172.673.8000109.6S11 A12 M13 V90 A98 L101 V107 M111 T125S11-L123 PolarHBondContact O-N 3.17Å; A12-L123 CarbonylContact C-O 3.54Å; A12-L123 WeakPolarHBondContact CA-O 3.39Å; M13-L123 PolarHBondContact N-O 3.42Å; V90-L123 CarbonylContact O-C 3.49Å; V90-L123 WeakPolarHBondContact O-CA 3.43Å; A98-L123 HydrophobicContact CB-CB 3.92Å; A98-L123 HydrophobicContact CB-CD2 4.01Å; L101-L123 HydrophobicContact CD1-CD1 4.35Å; L101-L123 HydrophobicContact CD1-CD2 4.1Å; L101-L123 HydrophobicContact CD2-CD2 4.44Å; L101-L123 HydrophobicContact CG-CD2 4.36Å; V107-L123 HydrophobicContact CG1-CD1 3.69Å; M111-L123 HydrophobicContact CE-CB 4.01Å; M111-L123 HydrophobicContact SD-CB 4.01Å; M111-L123 HydrophobicContact SD-CD1 4.1Å; L123-T125 PolarHBondContact O-N 2.78Å
124L94.3Very high89.8Confident0 Ų035.3 Ų35.30%023%0.227CC..EExtended strand (participates in β ladder)trans-75117.8171.3-171.160.6000111.4I15 L18 V89 V90 Y91 G126 G127 F131I15-L124 HydrophobicContact CG2-CD1 3.92Å; I15-L124 HydrophobicContact CG2-CG 4.13Å; L18-L124 HydrophobicContact CB-CD1 3.9Å; L18-L124 HydrophobicContact CD2-CD1 3.6Å; L18-L124 HydrophobicContact CD2-CD2 3.58Å; L18-L124 HydrophobicContact CD2-CG 4.19Å; L18-L124 HydrophobicContact CG-CD1 4.39Å; V89-L124 HydrophobicContact CG1-CB 4.18Å; V89-L124 HydrophobicContact CG1-CD1 4.46Å; V90-L124 PolarHBondContact O-N 2.87Å; Y91-L124 HydrophobicContact CD1-CD2 4.28Å; Y91-L124 HydrophobicContact CG-CD2 4.14Å; L124-G126 PolarHBondContact O-N 2.92Å; L124-G126 VanDerWaalsContact O-N 3.16Å; L124-G127 PolarHBondContact O-N 2.89Å; L124-G127 VanDerWaalsContact O-N 3.08Å; L124-F131 HydrophobicContact CD2-CB 4.05Å; L124-F131 HydrophobicContact CD2-CD2 4.26Å; L124-F131 HydrophobicContact CD2-CG 4.37Å
125T91.8Very high90Very high51 Ų5137.5 Ų37.531%0.31324%0.237SC..THydrogen-bonded Turntrans-62.7111.2-179.6-57.70000111.1M13 L123M13-T125 WeakPolarHBondContact O-CB 3.16Å; M13-T125 PolarHBondContact O-N 2.78Å; M13-T125 PolarHBondContact O-OG1 3.32Å; M13-T125 VanDerWaalsContact O-OG1 3.1Å; L123-T125 PolarHBondContact O-N 2.78Å
126G87.9Confident90.1Very high10 Ų1038.5 Ų38.510%0.10325%0.249CC..THydrogen-bonded Turntrans87.46.3-179.700000114.5S94 S95 L124 A130S94-G126 WeakPolarHBondContact CA-O 3.19Å; S95-G126 WeakPolarHBondContact O-CA 3.34Å; S95-G126 PolarHBondContact O-N 3.05Å; L124-G126 PolarHBondContact O-N 2.92Å; L124-G126 VanDerWaalsContact O-N 3.16Å; G126-A130 VanDerWaalsContact O-CB 3.28Å; G126-A130 WeakPolarHBondContact O-CB 3.39Å; G126-A130 PolarHBondContact O-N 3.32Å
127G93.3Very high90.3Very high0 Ų038.7 Ų38.70%025%0.251CS..Hα-helixtrans57.3-158.9174.300000115D92 L124 A129 A130 F131D92-G127 CarbonylContact O-C 3.6Å; D92-G127 VanDerWaalsContact O-CA 3.29Å; D92-G127 WeakPolarHBondContact O-CA 3.32Å; L124-G127 PolarHBondContact O-N 2.89Å; L124-G127 VanDerWaalsContact O-N 3.08Å; G127-A129 VanDerWaalsContact C-N 3.33Å; G127-A129 PolarHBondContact O-N 2.87Å; G127-A130 PolarHBondContact O-N 2.75Å; G127-F131 PolarHBondContact O-N 2.56Å
128F94.6Very high90.9Very high16 Ų1636.5 Ų36.57%0.0724%0.237CC..Hα-helixtrans-62.4-37.2-179.3-176-103.7000113S43 H44 V45 Y91 D92 A130 F131 S132S43-F128 VanDerWaalsContact O-CZ 3.24Å; S43-F128 WeakPolarHBondContact O-CZ 3.49Å; H44-F128 VanDerWaalsContact C-CE2 3.48Å; V45-F128 HydrophobicContact CG2-CD2 3.97Å; V45-F128 HydrophobicContact CG2-CE2 4.24Å; Y91-F128 HydrophobicContact CD2-CB 3.88Å; Y91-F128 HydrophobicContact CE2-CB 3.83Å; Y91-F128 AromaticContact CE2-CD2 3.88Å; Y91-F128 HydrophobicContact CE2-CD2 3.88Å; Y91-F128 HydrophobicContact CE2-CG 4.21Å; D92-F128 PolarHBondContact O-N 2.73Å; F128-A130 PolarHBondContact O-N 2.7Å; F128-F131 PolarHBondContact O-N 3.03Å; F128-S132 WeakPolarHBondContact O-CB 3.38Å; F128-S132 PolarHBondContact O-N 3.33Å; F128-S132 PolarHBondContact O-OG 3.44Å
129A91.9Very high91.3Very high42 Ų4237 Ų3735%0.34724%0.242SC..Hα-helixtrans-64.6-39.1-177.800000112.6Q93 G127 S133Q93-A129 VanDerWaalsContact O-CB 3.24Å; Q93-A129 WeakPolarHBondContact O-CB 3.49Å; Q93-A129 PolarHBondContact O-N 2.82Å; G127-A129 VanDerWaalsContact C-N 3.33Å; G127-A129 PolarHBondContact O-N 2.87Å; A129-S133 WeakPolarHBondContact O-CB 3.44Å; A129-S133 PolarHBondContact O-N 2.76Å; A129-S133 PolarHBondContact O-OG 2.77Å
130A92.4Very high91.7Very high30 Ų3035.2 Ų35.225%0.24823%0.234CC..Hα-helixtrans-72.6-36.2174.200000112.1I15 G126 G127 F128 S133 C134I15-A130 HydrophobicContact CD1-CB 4.31Å; I15-A130 WeakPolarHBondContact CD1-O 3.08Å; I15-A130 HydrophobicContact CG2-CB 4.24Å; G126-A130 VanDerWaalsContact O-CB 3.28Å; G126-A130 WeakPolarHBondContact O-CB 3.39Å; G126-A130 PolarHBondContact O-N 3.32Å; G127-A130 PolarHBondContact O-N 2.75Å; F128-A130 PolarHBondContact O-N 2.7Å; A130-S133 PolarHBondContact O-OG 3.02Å; A130-C134 PolarHBondContact O-N 2.85Å; A130-C134 PolarHBondContact O-SG 2.8Å
131F94.6Very high91.3Very high0 Ų034.4 Ų34.40%024%0.241CC..Hα-helixtrans-69-54.2179.7-171.6-87.5000112.4I15 L18 A19 I22 V45 L124 G127 F128 S133 C134 F135 L138I15-F131 HydrophobicContact CB-CD2 4.03Å; I15-F131 HydrophobicContact CG2-CB 4.03Å; I15-F131 HydrophobicContact CG2-CD2 4.14Å; L18-F131 HydrophobicContact CB-CD2 4.41Å; L18-F131 HydrophobicContact CB-CE2 3.97Å; L18-F131 HydrophobicContact CD2-CD2 3.9Å; L18-F131 HydrophobicContact CD2-CE2 3.79Å; L18-F131 HydrophobicContact CD2-CZ 4.49Å; L18-F131 HydrophobicContact CG-CD2 4.34Å; L18-F131 HydrophobicContact CG-CE2 3.78Å; L18-F131 HydrophobicContact CG-CZ 4.46Å; A19-F131 HydrophobicContact CB-CE2 4.09Å; A19-F131 HydrophobicContact CB-CZ 4.33Å; I22-F131 HydrophobicContact CD1-CZ 3.93Å; V45-F131 HydrophobicContact CB-CE1 4.37Å; V45-F131 HydrophobicContact CG1-CD1 4.33Å; V45-F131 HydrophobicContact CG1-CE1 3.78Å; V45-F131 HydrophobicContact CG1-CZ 3.97Å; V45-F131 HydrophobicContact CG2-CD1 3.61Å; V45-F131 HydrophobicContact CG2-CE1 3.93Å; V45-F131 HydrophobicContact CG2-CG 4.08Å; L124-F131 HydrophobicContact CD2-CB 4.05Å; L124-F131 HydrophobicContact CD2-CD2 4.26Å; L124-F131 HydrophobicContact CD2-CG 4.37Å; G127-F131 PolarHBondContact O-N 2.56Å; F128-F131 PolarHBondContact O-N 3.03Å; F131-S133 VanDerWaalsContact C-N 3.3Å; F131-S133 PolarHBondContact O-N 3.4Å; F131-C134 PolarHBondContact O-N 3.26Å; F131-C134 VanDerWaalsContact O-N 3.11Å; F131-F135 HydrophobicContact CD1-CB 4.34Å; F131-F135 HydrophobicContact CD2-CD2 4.14Å; F131-F135 HydrophobicContact CE1-CB 3.91Å; F131-F135 HydrophobicContact CE2-CB 4.4Å; F131-F135 HydrophobicContact CE2-CD2 4.04Å; F131-F135 HydrophobicContact CE2-CG 4.45Å; F131-F135 HydrophobicContact CZ-CB 3.95Å; F131-F135 HydrophobicContact CZ-CD2 4.43Å; F131-F135 HydrophobicContact CZ-CG 4.41Å; F131-F135 PolarHBondContact O-N 2.86Å; F131-L138 HydrophobicContact CE1-CB 3.93Å; F131-L138 HydrophobicContact CZ-CB 3.96Å; F131-L138 HydrophobicContact CZ-CD1 4.23Å
132S93.7Very high89.6Confident30 Ų3043.3 Ų43.321%0.2128%0.279CS..Hα-helixtrans-65.3-28.9-176.152.70000114F128 P136F128-S132 WeakPolarHBondContact O-CB 3.38Å; F128-S132 PolarHBondContact O-N 3.33Å; F128-S132 PolarHBondContact O-OG 3.44Å; S132-P136 WeakPolarHBondContact O-CA 3.45Å; S132-P136 WeakPolarHBondContact O-CB 3.38Å; S132-P136 WeakPolarHBondContact O-CD 3.48Å
133S90.5Very high87.4Confident90 Ų9048.5 Ų48.563%0.62931%0.312SS*.Hα-helixtrans-73.8-27.1173.752.30000113.6A129 A130 F131A129-S133 WeakPolarHBondContact O-CB 3.44Å; A129-S133 PolarHBondContact O-N 2.76Å; A129-S133 PolarHBondContact O-OG 2.77Å; A130-S133 PolarHBondContact O-OG 3.02Å; F131-S133 VanDerWaalsContact C-N 3.3Å; F131-S133 PolarHBondContact O-N 3.4Å
134C91.9Very high85.1Confident73 Ų7353 Ų5349%0.49335%0.35SS..Hα-helixtrans-96.5-26.6177.7-65.30000113.6I15 A130 F131I15-C134 HydrophobicContact CD1-CB 3.87Å; I15-C134 VanDerWaalsContact CD1-SG 3.57Å; A130-C134 PolarHBondContact O-N 2.85Å; A130-C134 PolarHBondContact O-SG 2.8Å; F131-C134 PolarHBondContact O-N 3.26Å; F131-C134 VanDerWaalsContact O-N 3.11Å
135F93Very high82.4Confident47 Ų4758.8 Ų58.821%0.20639%0.386CS..  trans-136.853.8-173.2-58.3-73.7000112.6I15 K16 A19 F131 G137 L138I15-F135 HydrophobicContact CB-CD2 4.49Å; I15-F135 HydrophobicContact CB-CE2 4.16Å; I15-F135 HydrophobicContact CD1-CE2 4.38Å; I15-F135 HydrophobicContact CG1-CE2 4.18Å; K16-F135 HydrophobicContact CB-CZ 4.15Å; K16-F135 HydrophobicContact CG-CE2 4.28Å; K16-F135 HydrophobicContact CG-CZ 4Å; A19-F135 HydrophobicContact CB-CD1 3.59Å; A19-F135 HydrophobicContact CB-CD2 3.87Å; A19-F135 HydrophobicContact CB-CE1 3.59Å; A19-F135 HydrophobicContact CB-CE2 3.87Å; A19-F135 HydrophobicContact CB-CG 3.73Å; A19-F135 HydrophobicContact CB-CZ 3.74Å; F131-F135 HydrophobicContact CD1-CB 4.34Å; F131-F135 HydrophobicContact CD2-CD2 4.14Å; F131-F135 HydrophobicContact CE1-CB 3.91Å; F131-F135 HydrophobicContact CE2-CB 4.4Å; F131-F135 HydrophobicContact CE2-CD2 4.04Å; F131-F135 HydrophobicContact CE2-CG 4.45Å; F131-F135 HydrophobicContact CZ-CB 3.95Å; F131-F135 HydrophobicContact CZ-CD2 4.43Å; F131-F135 HydrophobicContact CZ-CG 4.41Å; F131-F135 PolarHBondContact O-N 2.86Å; F135-G137 PolarHBondContact O-N 3.42Å; F135-L138 HydrophobicContact CB-CB 4.29Å; F135-L138 HydrophobicContact CB-CD1 4.2Å; F135-L138 HydrophobicContact CB-CG 4.41Å; F135-L138 HydrophobicContact CD1-CD1 4.36Å; F135-L138 HydrophobicContact CG-CD1 4.48Å; F135-L138 PolarHBondContact O-N 3.2Å
136P88.9Confident80Confident91 Ų9161.2 Ų61.259%0.59141%0.411SS*.G310 helixtrans-60.3-30.7-176.724.6-34.3000113.1S132 L138 C139S132-P136 WeakPolarHBondContact O-CA 3.45Å; S132-P136 WeakPolarHBondContact O-CB 3.38Å; S132-P136 WeakPolarHBondContact O-CD 3.48Å; P136-L138 PolarHBondContact O-N 2.91Å; P136-C139 PolarHBondContact O-N 3.32Å
137G88.8Confident77.4Confident74 Ų7467.5 Ų67.576%0.76344%0.441SS*.G310 helixtrans-73.30.6174.300000115.5F135F135-G137 PolarHBondContact O-N 3.42Å
138L92.3Very high74.7Confident17 Ų1773.3 Ų73.39%0.08948%0.479CS..G310 helixtrans-114.723.6171.2-58.7180000111.4A19 I22 Q23 Q46 F131 F135 P136A19-L138 HydrophobicContact CB-CD1 3.57Å; I22-L138 HydrophobicContact CG2-CD2 4.25Å; Q23-L138 HydrophobicContact CG-CD1 3.89Å; Q23-L138 HydrophobicContact CG-CD2 3.87Å; Q46-L138 WeakPolarHBondContact CB-O 3.41Å; Q46-L138 PolarHBondContact N-O 3.48Å; F131-L138 HydrophobicContact CE1-CB 3.93Å; F131-L138 HydrophobicContact CZ-CB 3.96Å; F131-L138 HydrophobicContact CZ-CD1 4.23Å; F135-L138 HydrophobicContact CB-CB 4.29Å; F135-L138 HydrophobicContact CB-CD1 4.2Å; F135-L138 HydrophobicContact CB-CG 4.41Å; F135-L138 HydrophobicContact CD1-CD1 4.36Å; F135-L138 HydrophobicContact CG-CD1 4.48Å; F135-L138 PolarHBondContact O-N 3.2Å; P136-L138 PolarHBondContact O-N 2.91Å
139C92.4Very high72.1Confident28 Ų2880.4 Ų80.419%0.18951%0.514CS..EExtended strand (participates in β ladder)trans-115.2136.6174.6-66.70000110.7H44 P136H44-C139 CarbonylContact O-C 3.57Å; H44-C139 WeakPolarHBondContact O-CA 3.34Å; H44-C139 WeakPolarHBondContact O-CB 3.42Å; P136-C139 PolarHBondContact O-N 3.32Å
140E88.1Confident69.2Low72 Ų7283.8 Ų83.834%0.33654%0.535SS..EExtended strand (participates in β ladder)trans-101151.8175.5-75.4170.716200109.7S43 H44 Q46 G47S43-E140 CarbonylContact C-O 3.6Å; S43-E140 WeakPolarHBondContact CA-O 3.41Å; S43-E140 PolarHBondContact OG-O 3.34Å; H44-E140 PolarHBondContact N-O 3Å; H44-E140 PolarHBondContact O-N 3.09Å; Q46-E140 WeakPolarHBondContact CA-OE2 3.32Å; Q46-E140 HydrophobicContact CB-CG 4.04Å; Q46-E140 HydrophobicContact CG-CG 4.3Å; Q46-E140 WeakPolarHBondContact CG-OE1 3.37Å; Q46-E140 PolarHBondContact NE2-OE1 3.19Å; G47-E140 PolarHBondContact N-OE2 3.21Å
141G78.8Confident67.1Low38 Ų3891 Ų9139%0.39257%0.569SS.*SBendtrans144.5168.4-169.300000111P143G141-P143 WeakPolarHBondContact O-CD 3.49Å
142K55.3Low64.8Low197 Ų19796 Ų9686%0.85760%0.604SS**PPolyproline II helixtrans-74.2118.9173.5-74.7-174.3176.8-177.40108.9A144K142-A144 PolarHBondContact O-N 3.34Å
143P46.5Very low62.4Low110 Ų110103.2 Ų103.271%0.71463%0.634SS**PPolyproline II helixtrans-65.7123.5172.827.4-32.8000109G141 T145G141-P143 WeakPolarHBondContact O-CD 3.49Å; P143-T145 PolarHBondContact O-N 3.35Å
144A45.5Very low60.3Low97 Ų97103.8 Ų103.880%0.80264%0.635SS**PPolyproline II helixtrans-61.9118.9153.100000106.2K142 A146K142-A144 PolarHBondContact O-N 3.34Å; A144-A146 PolarHBondContact O-N 3.38Å
145T37.5Very low57.8Low122 Ų122106.4 Ų106.475%0.74865%0.653SS**  trans-65.399.1-160.7-5.20000111.9P143 L147P143-T145 PolarHBondContact O-N 3.35Å; T145-L147 VanDerWaalsContact C-N 3.29Å; T145-L147 PolarHBondContact O-N 2.93Å
146A42.5Very low55.2Low101 Ų101110.5 Ų110.584%0.83568%0.677SS**  trans-74.880.6177.100000110.5A144A144-A146 PolarHBondContact O-N 3.38Å
147L32.3Very low52.8Low143 Ų143112.3 Ų112.375%0.74969%0.688SS**  trans-76.2149.2167.2-66.2-179.1000110.3T145T145-L147 VanDerWaalsContact C-N 3.29Å; T145-L147 PolarHBondContact O-N 2.93Å
148P36.7Very low50.6Low121 Ų121114 Ų11479%0.78668%0.684SS**  trans-64.9147.2-174.326.1-34.9000112.4S150P148-S150 PolarHBondContact O-N 3.29Å
149M39.8Very low48.3Very low166 Ų166117 Ų11782%0.81871%0.711SS**  trans-68.6114.2-175.5-6816856.800112.4
150S32.1Very low46.5Very low112 Ų112118.5 Ų118.578%0.78372%0.717SS**  trans-94.3147155.8-74.10000110.3P148 S152P148-S150 PolarHBondContact O-N 3.29Å; S150-S152 PolarHBondContact O-N 3.04Å
151L47.3Very low45.5Very low183 Ų183121.8 Ų121.896%0.95874%0.741SS**SBendtrans-79.577.1-166-77.9161.8000114.1
152S46Very low45.9Very low104 Ų104120.4 Ų120.473%0.72773%0.727SS**SBendtrans-149.481.2161.763.40000111.7S150S150-S152 PolarHBondContact O-N 3.04Å
153Q44.4Very low47.9Very low182 Ų182111.7 Ų111.785%0.8569%0.691SS**  trans48.5105.2175-68.1-172.1-17.400116.8C155Q153-C155 PolarHBondContact O-N 3.48Å
154P45.3Very low50.3Low101 Ų101107.4 Ų107.466%0.65666%0.663SS**  trans-67.4119168.729.1-32.4000109.8L156P154-L156 PolarHBondContact O-N 3.46Å
155C40.7Very low52.8Low128 Ų128110.3 Ų110.387%0.86565%0.653SS**  trans-61.298.5165.6-67.40000108.9Q153Q153-C155 PolarHBondContact O-N 3.48Å
156L38.3Very low55.6Low134 Ų134104.8 Ų104.870%0.70262%0.619SS**  trans-51.6158.2167-67.1173.9000109.8P154 V158P154-L156 PolarHBondContact O-N 3.46Å; L156-V158 PolarHBondContact O-N 3.45Å
157P37.7Very low58.3Low128 Ų128101.3 Ų101.383%0.83159%0.586SS**  trans-56.1105.3163.7-17.530.4000107.7A159P157-A159 VanDerWaalsContact C-N 3.27Å; P157-A159 PolarHBondContact O-N 3.08Å
158V43.8Very low61.3Low111 Ų11199.2 Ų99.267%0.67358%0.581SS**  trans-68.194179.9178.80000106.8L156 N160L156-V158 PolarHBondContact O-N 3.45Å; V158-N160 PolarHBondContact O-N 3.44Å
159A44.2Very low64.2Low80 Ų8094.6 Ų94.666%0.66155%0.549SS*.  trans-50.8114.7153.300000105.3P157 V161P157-A159 VanDerWaalsContact C-N 3.27Å; P157-A159 PolarHBondContact O-N 3.08Å; A159-V161 VanDerWaalsContact C-N 3.33Å; A159-V161 VanDerWaalsContact O-CG2 3.29Å; A159-V161 WeakPolarHBondContact O-CG2 3.46Å; A159-V161 PolarHBondContact O-N 3.41Å
160N52.6Low67Low58 Ų5886.7 Ų86.731%0.3151%0.51SS..  trans-60.497.6-176.5-75.6-46.3000108.5V158 G162 S284V158-N160 PolarHBondContact O-N 3.44Å; N160-G162 PolarHBondContact O-N 3.35Å; N160-S284 PolarHBondContact ND2-OG 2.97Å
161V68.3Low70.2Confident141 Ų14181.8 Ų81.886%0.85547%0.474SS*.  trans-77.174.8177.4-171.50000107.3A159A159-V161 VanDerWaalsContact C-N 3.33Å; A159-V161 VanDerWaalsContact O-CG2 3.29Å; A159-V161 WeakPolarHBondContact O-CG2 3.46Å; A159-V161 PolarHBondContact O-N 3.41Å
162G87.9Confident72.6Confident9 Ų973.1 Ų73.19%0.09343%0.429CS..SBendtrans92.4-158.2-178.200000115.7N160 D177 R282N160-G162 PolarHBondContact O-N 3.35Å; G162-D177 VanDerWaalsContact CA-OD1 3.28Å; G162-D177 WeakPolarHBondContact CA-OD1 3.15Å; G162-R282 PolarHBondContact O-NH1 2.85Å
163P95.5Very high75.1Confident14 Ų1468.1 Ų68.19%0.09139%0.394CS..PPolyproline II helixtrans-84.6140.6-175.934.9-32.9000111.2Y171 L172 D177 L183 I189 I245P163-Y171 HydrophobicContact CB-CD1 4.43Å; P163-Y171 HydrophobicContact CG-CD1 4.23Å; P163-L172 CarbonylContact C-O 3.6Å; P163-L172 WeakPolarHBondContact CA-O 3.43Å; P163-D177 HydrophobicContact CB-CB 4.15Å; P163-D177 HydrophobicContact CG-CB 4.34Å; P163-L183 HydrophobicContact CG-CD2 3.75Å; P163-I189 HydrophobicContact CG-CD1 4.22Å; P163-I245 HydrophobicContact CB-CD1 3.39Å; P163-I245 HydrophobicContact CB-CG1 4.41Å; P163-I245 HydrophobicContact CG-CD1 3.89Å
164T97.4Very high77.6Confident21 Ų2160.1 Ų60.113%0.12936%0.358CS..EExtended strand (participates in β ladder)trans-81.5125.3179.2-52.60000110I166 Y171 L172 R281 R282T164-I166 HydrophobicContact CG2-CD1 3.84Å; T164-I166 PolarHBondContact O-N 3.09Å; T164-Y171 CarbonylContact O-C 3.59Å; T164-Y171 WeakPolarHBondContact O-CA 3.1Å; T164-L172 PolarHBondContact N-O 3.06Å; T164-L172 PolarHBondContact O-N 3.27Å; T164-R281 HydrophobicContact CG2-CB 3.84Å; T164-R281 WeakPolarHBondContact CG2-O 3.33Å; T164-R282 HydrophobicContact CG2-CB 4.03Å; T164-R282 WeakPolarHBondContact OG1-CD 3.47Å; T164-R282 WeakPolarHBondContact OG1-CG 3.38Å; T164-R282 PolarHBondContact OG1-NH1 3.26Å
165R97.8Very high80Confident158 Ų15857.6 Ų57.660%0.59634%0.338SS*.EExtended strand (participates in β ladder)trans-70118168-170.1177.768.7-1800.2110L167 Y171R165-L167 WeakPolarHBondContact CG-O 3.44Å; R165-Y171 HydrophobicContact CB-CD1 3.99Å; R165-Y171 HydrophobicContact CB-CE1 3.66Å; R165-Y171 HydrophobicContact CB-CE2 4.47Å; R165-Y171 HydrophobicContact CG-CD1 4.47Å; R165-Y171 HydrophobicContact CG-CD2 4.45Å; R165-Y171 HydrophobicContact CG-CE1 4.03Å; R165-Y171 HydrophobicContact CG-CE2 3.96Å
166I98Very high82.7Confident5 Ų560 Ų603%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-92.8-48.8178.5-55.6-53.6000110.5T164 L170 L172 I263 F277 V278 R281T164-I166 HydrophobicContact CG2-CD1 3.84Å; T164-I166 PolarHBondContact O-N 3.09Å; I166-L170 HydrophobicContact CB-CD2 4.39Å; I166-L170 HydrophobicContact CB-CG 4.29Å; I166-L170 HydrophobicContact CG2-CD2 4.37Å; I166-L170 PolarHBondContact N-O 3.14Å; I166-L172 HydrophobicContact CD1-CB 4.03Å; I166-L172 HydrophobicContact CD1-CD2 4.31Å; I166-L172 HydrophobicContact CG1-CB 3.68Å; I166-I263 HydrophobicContact CG2-CD1 4.06Å; I166-I263 HydrophobicContact CG2-CG1 4.22Å; I166-F277 HydrophobicContact CG2-CD1 4.44Å; I166-F277 HydrophobicContact CG2-CE1 4.02Å; I166-V278 HydrophobicContact CD1-CG1 3.96Å; I166-V278 HydrophobicContact CG2-CG2 4.16Å; I166-R281 HydrophobicContact CD1-CB 4Å; I166-R281 PolarHBondContact O-NE 3.4Å
167L97.4Very high85.4Confident28 Ų2854.3 Ų54.315%0.14730%0.304CS..EExtended strand (participates in β ladder)trans-131169.2170.9-59.2175.7000109.1R165 H169 L170 Y262 I263 M267 F277R165-L167 WeakPolarHBondContact CG-O 3.44Å; L167-H169 PolarHBondContact O-N 2.89Å; L167-H169 VanDerWaalsContact O-N 3.11Å; L167-L170 HydrophobicContact CB-CB 4.04Å; L167-L170 HydrophobicContact CD1-CD2 4.44Å; L167-L170 PolarHBondContact N-O 3.13Å; L167-L170 VanDerWaalsContact N-O 3.12Å; L167-L170 PolarHBondContact O-N 2.96Å; L167-L170 VanDerWaalsContact O-O 3.08Å; L167-Y262 HydrophobicContact CD1-CD1 4.24Å; L167-Y262 HydrophobicContact CD1-CE1 3.8Å; L167-I263 HydrophobicContact CD1-CD1 3.72Å; L167-I263 HydrophobicContact CD2-CD1 3.92Å; L167-I263 HydrophobicContact CG-CD1 3.83Å; L167-M267 HydrophobicContact CD2-SD 4.32Å; L167-F277 HydrophobicContact CD2-CE1 4.11Å; L167-F277 HydrophobicContact CD2-CZ 3.89Å
168P97Very high88.2Confident99 Ų9948.3 Ų48.364%0.64326%0.264SS*.THydrogen-bonded Turntrans-53.6-33.3-180-28.937.5000114.8
169H97.6Very high90.7Very high24 Ų2446.9 Ų46.911%0.11125%0.253CS..THydrogen-bonded Turntrans-100.2-7.5177.965.7-70.5000114.7L167 R243 V244 Y262L167-H169 PolarHBondContact O-N 2.89Å; L167-H169 VanDerWaalsContact O-N 3.11Å; H169-R243 CarbonylContact O-C 3.53Å; H169-R243 WeakPolarHBondContact O-CA 3.21Å; H169-V244 WeakPolarHBondContact O-CG1 3.5Å; H169-V244 PolarHBondContact O-N 2.97Å; H169-Y262 AromaticContact NE2-CE1 3.57Å; H169-Y262 AromaticContact NE2-CZ 3.57Å; H169-Y262 PolarHBondContact NE2-OH 3.49Å
170L98.5Very high93.1Very high0 Ų046.3 Ų46.30%024%0.238CC..EExtended strand (participates in β ladder)trans-124.7121.4-169.3177.862.5000112.2I166 L167 I234 V244 V246 Y262I166-L170 HydrophobicContact CB-CD2 4.39Å; I166-L170 HydrophobicContact CB-CG 4.29Å; I166-L170 HydrophobicContact CG2-CD2 4.37Å; I166-L170 PolarHBondContact N-O 3.14Å; L167-L170 HydrophobicContact CB-CB 4.04Å; L167-L170 HydrophobicContact CD1-CD2 4.44Å; L167-L170 PolarHBondContact N-O 3.13Å; L167-L170 VanDerWaalsContact N-O 3.12Å; L167-L170 PolarHBondContact O-N 2.96Å; L167-L170 VanDerWaalsContact O-O 3.08Å; L170-I234 HydrophobicContact CD1-CD1 4.2Å; L170-I234 HydrophobicContact CD1-CG1 4.4Å; L170-I234 HydrophobicContact CD1-CG2 4.2Å; L170-V244 HydrophobicContact CD1-CG1 4.02Å; L170-V246 HydrophobicContact CD1-CG2 3.54Å; L170-Y262 HydrophobicContact CD2-CD1 3.57Å; L170-Y262 HydrophobicContact CD2-CE1 4.16Å; L170-Y262 HydrophobicContact CD2-CG 4.28Å
171Y98.6Very high95.1Very high10 Ų1049.3 Ų49.34%0.03925%0.249CC..EExtended strand (participates in β ladder)trans-115.9148.7176.2-72.5-109000111.1P163 T164 R165 N187 I189 R243 V244 I245 V246P163-Y171 HydrophobicContact CB-CD1 4.43Å; P163-Y171 HydrophobicContact CG-CD1 4.23Å; T164-Y171 CarbonylContact O-C 3.59Å; T164-Y171 WeakPolarHBondContact O-CA 3.1Å; R165-Y171 HydrophobicContact CB-CD1 3.99Å; R165-Y171 HydrophobicContact CB-CE1 3.66Å; R165-Y171 HydrophobicContact CB-CE2 4.47Å; R165-Y171 HydrophobicContact CG-CD1 4.47Å; R165-Y171 HydrophobicContact CG-CD2 4.45Å; R165-Y171 HydrophobicContact CG-CE1 4.03Å; R165-Y171 HydrophobicContact CG-CE2 3.96Å; Y171-N187 HydrophobicContact CE1-CB 4.05Å; Y171-N187 VanDerWaalsContact CE1-OD1 3.3Å; Y171-N187 WeakPolarHBondContact CE1-OD1 3.44Å; Y171-I189 HydrophobicContact CD1-CD1 4.08Å; Y171-I189 HydrophobicContact CD2-CD1 4.41Å; Y171-I189 HydrophobicContact CD2-CG1 4.32Å; Y171-I189 HydrophobicContact CE1-CD1 4.49Å; Y171-I189 HydrophobicContact CG-CD1 4.02Å; Y171-I189 HydrophobicContact CG-CG1 4.42Å; Y171-R243 HydrophobicContact CD2-CB 4.46Å; Y171-R243 HydrophobicContact CE2-CB 4.26Å; Y171-R243 HydrophobicContact CE2-CG 4.41Å; Y171-V244 PolarHBondContact N-O 2.96Å; Y171-I245 WeakPolarHBondContact O-CA 3.24Å; Y171-V246 PolarHBondContact O-N 3.03Å
172L98.6Very high96.4Very high0 Ų047.7 Ų47.70%024%0.236CC..EExtended strand (participates in β ladder)trans-121.9121.5178.2172.658.4000110.3P163 T164 I166 V246 A256 A259 V278 R282 I285P163-L172 CarbonylContact C-O 3.6Å; P163-L172 WeakPolarHBondContact CA-O 3.43Å; T164-L172 PolarHBondContact N-O 3.06Å; T164-L172 PolarHBondContact O-N 3.27Å; I166-L172 HydrophobicContact CD1-CB 4.03Å; I166-L172 HydrophobicContact CD1-CD2 4.31Å; I166-L172 HydrophobicContact CG1-CB 3.68Å; L172-V246 WeakPolarHBondContact CA-O 3.31Å; L172-A256 HydrophobicContact CD1-CB 4.5Å; L172-A256 HydrophobicContact CD2-CB 4.07Å; L172-A259 HydrophobicContact CD2-CB 4.33Å; L172-V278 HydrophobicContact CD2-CG1 3.64Å; L172-R282 PolarHBondContact O-NH1 2.95Å; L172-I285 HydrophobicContact CD2-CG2 3.89Å
173G97.3Very high96.7Very high0 Ų048.4 Ų48.40%024%0.237CC..EExtended strand (participates in β ladder)trans-147.3-173.9-173.900000116.3D177 V246 H247 G251G173-D177 WeakPolarHBondContact CA-OD2 3.45Å; G173-V246 PolarHBondContact N-O 3.14Å; G173-H247 VanDerWaalsContact O-CA 3.27Å; G173-H247 WeakPolarHBondContact O-CA 3.39Å; G173-H247 WeakPolarHBondContact O-CB 3.5Å; G173-G251 WeakPolarHBondContact O-CA 3.44Å
174S96.9Very high96.7Very high13 Ų1347.9 Ų47.99%0.09123%0.233CC..  trans-109175.5177.873.50000111.3K176 D177 V178 C248 A250S174-K176 PolarHBondContact O-N 3.25Å; S174-K176 PolarHBondContact OG-N 2.95Å; S174-D177 WeakPolarHBondContact CA-OD2 3.49Å; S174-D177 VanDerWaalsContact CB-OD2 3.31Å; S174-D177 WeakPolarHBondContact CB-OD2 3.47Å; S174-D177 PolarHBondContact N-OD2 3.33Å; S174-D177 PolarHBondContact O-N 3.11Å; S174-D177 PolarHBondContact OG-N 3.44Å; S174-D177 PolarHBondContact OG-OD2 3.47Å; S174-V178 PolarHBondContact O-N 3.24Å; S174-C248 CarbonylContact C-O 3.32Å; S174-C248 VanDerWaalsContact C-O 3.3Å; S174-C248 WeakPolarHBondContact CA-O 3.37Å; S174-A250 VanDerWaalsContact CB-C 3.49Å; S174-A250 WeakPolarHBondContact CB-O 3.5Å
175Q96.9Very high96.5Very high49 Ų4950.7 Ų50.723%0.22925%0.254CS..Hα-helixtrans-62.4-33173.4-179.5-177.5-34.300112.1D177 V178 L179 C199 C248 L249Q175-D177 VanDerWaalsContact C-N 3.33Å; Q175-D177 PolarHBondContact O-N 3.48Å; Q175-V178 PolarHBondContact O-N 2.7Å; Q175-L179 HydrophobicContact CG-CD1 3.8Å; Q175-L179 HydrophobicContact CG-CG 4.29Å; Q175-L179 WeakPolarHBondContact O-CG 3.04Å; Q175-L179 PolarHBondContact O-N 3.19Å; Q175-L179 VanDerWaalsContact O-N 3.12Å; Q175-C199 HydrophobicContact CB-CB 4.35Å; Q175-C199 HydrophobicContact CG-CB 4.08Å; Q175-C199 PolarHBondContact OE1-SG 2.86Å; Q175-C248 PolarHBondContact N-O 2.83Å; Q175-L249 HydrophobicContact CB-CD1 4.43Å; Q175-L249 PolarHBondContact N-O 3.06Å; Q175-L249 VanDerWaalsContact N-O 3.09Å
176K95.9Very high96.4Very high178 Ų17850.6 Ų50.677%0.77426%0.26SS*.Hα-helixtrans-65.1-39.8-179.9-65.9-173.3176.5-173.90111.7S174 N180S174-K176 PolarHBondContact O-N 3.25Å; S174-K176 PolarHBondContact OG-N 2.95Å; K176-N180 PolarHBondContact O-N 3.43Å
177D96.1Very high96.2Very high15 Ų1552.3 Ų52.38%0.0827%0.269CS..Hα-helixtrans-67.3-43-178.6-49.9-40.1000110.6G162 P163 G173 S174 Q175 N180 I245G162-D177 VanDerWaalsContact CA-OD1 3.28Å; G162-D177 WeakPolarHBondContact CA-OD1 3.15Å; P163-D177 HydrophobicContact CB-CB 4.15Å; P163-D177 HydrophobicContact CG-CB 4.34Å; G173-D177 WeakPolarHBondContact CA-OD2 3.45Å; S174-D177 WeakPolarHBondContact CA-OD2 3.49Å; S174-D177 VanDerWaalsContact CB-OD2 3.31Å; S174-D177 WeakPolarHBondContact CB-OD2 3.47Å; S174-D177 PolarHBondContact N-OD2 3.33Å; S174-D177 PolarHBondContact O-N 3.11Å; S174-D177 PolarHBondContact OG-N 3.44Å; S174-D177 PolarHBondContact OG-OD2 3.47Å; Q175-D177 VanDerWaalsContact C-N 3.33Å; Q175-D177 PolarHBondContact O-N 3.48Å; D177-N180 PolarHBondContact O-N 3.45Å; D177-I245 HydrophobicContact CB-CD1 4.48Å
178V96.6Very high96.1Very high1 Ų152.5 Ų52.51%0.00628%0.279CS..Hα-helixtrans-74.7-22.8-178.1168.80000113.7S174 Q175 M184 V192 P202 F204 I245 H247S174-V178 PolarHBondContact O-N 3.24Å; Q175-V178 PolarHBondContact O-N 2.7Å; V178-M184 HydrophobicContact CG2-SD 4.48Å; V178-V192 HydrophobicContact CG1-CG1 3.88Å; V178-V192 HydrophobicContact CG1-CG2 4.32Å; V178-P202 HydrophobicContact CG1-CG 3.45Å; V178-P202 VanDerWaalsContact CG1-CG 3.45Å; V178-P202 VanDerWaalsContact O-CG 3.25Å; V178-P202 WeakPolarHBondContact O-CG 3.34Å; V178-F204 WeakPolarHBondContact O-CZ 3.22Å; V178-I245 HydrophobicContact CG2-CB 4.48Å; V178-I245 HydrophobicContact CG2-CD1 3.57Å; V178-I245 HydrophobicContact CG2-CG1 3.94Å; V178-I245 HydrophobicContact CG2-CG2 3.71Å; V178-H247 HydrophobicContact CG2-CB 3.72Å
179L95.2Very high96.2Very high81 Ų8148.2 Ų48.242%0.42425%0.25SC..Hα-helixtrans-86.6-11.3173.4-69.9176.9000113.6Q175 K181 P200Q175-L179 HydrophobicContact CG-CD1 3.8Å; Q175-L179 HydrophobicContact CG-CG 4.29Å; Q175-L179 WeakPolarHBondContact O-CG 3.04Å; Q175-L179 PolarHBondContact O-N 3.19Å; Q175-L179 VanDerWaalsContact O-N 3.12Å; L179-K181 PolarHBondContact O-N 3.25Å; L179-P200 HydrophobicContact CD2-CG 4.29Å
180N94.9Very high96.1Very high68 Ų6849.7 Ų49.736%0.36426%0.261SS..  trans-84.498.4176-175.2-27.5000110.1K176 D177 D182 L183 M184K176-N180 PolarHBondContact O-N 3.43Å; D177-N180 PolarHBondContact O-N 3.45Å; N180-D182 PolarHBondContact O-N 2.69Å; N180-D182 PolarHBondContact OD1-N 3.26Å; N180-L183 HydrophobicContact CB-CB 3.97Å; N180-L183 VanDerWaalsContact CG-CB 3.44Å; N180-L183 PolarHBondContact O-N 3.04Å; N180-L183 WeakPolarHBondContact OD1-CB 3.35Å; N180-L183 PolarHBondContact OD1-N 3.11Å; N180-M184 WeakPolarHBondContact O-CB 3.27Å; N180-M184 WeakPolarHBondContact O-CG 3.37Å; N180-M184 PolarHBondContact O-N 3.31Å
181K95Very high96.1Very high121 Ų12150 Ų5053%0.52626%0.262SS..Hα-helixtrans-55.7-48.4-179.5-174.3-174.7175.4-170.50112.3L179 L183 M184 S185 F204L179-K181 PolarHBondContact O-N 3.25Å; K181-L183 PolarHBondContact O-N 3.2Å; K181-M184 WeakPolarHBondContact O-CB 3.42Å; K181-M184 PolarHBondContact O-N 2.94Å; K181-S185 PolarHBondContact O-N 2.86Å; K181-S185 PolarHBondContact O-OG 3.41Å; K181-F204 HydrophobicContact CB-CD1 3.95Å; K181-F204 HydrophobicContact CB-CE1 3.68Å; K181-F204 HydrophobicContact CB-CZ 4.09Å; K181-F204 HydrophobicContact CD-CD1 4.32Å; K181-F204 HydrophobicContact CG-CD1 3.88Å; K181-F204 HydrophobicContact CG-CD2 4.39Å; K181-F204 HydrophobicContact CG-CE1 4.07Å; K181-F204 HydrophobicContact CG-CG 4.06Å; K181-F204 HydrophobicContact CG-CZ 4.42Å
182D94.4Very high96.1Very high108 Ų10849.5 Ų49.558%0.57826%0.26SS*.Hα-helixtrans-64.3-43.7-174.2-51.8-42.8000110.8N180 S185 Q186N180-D182 PolarHBondContact O-N 2.69Å; N180-D182 PolarHBondContact OD1-N 3.26Å; D182-S185 PolarHBondContact O-N 3.27Å; D182-Q186 WeakPolarHBondContact O-CB 3.42Å; D182-Q186 WeakPolarHBondContact O-CG 3.32Å; D182-Q186 PolarHBondContact O-N 3.22Å
183L94.2Very high96.1Very high24 Ų2449.5 Ų49.513%0.12626%0.26CS..Hα-helixtrans-66.1-38176.6177.3145.9000112.4P163 N180 K181 N187P163-L183 HydrophobicContact CG-CD2 3.75Å; N180-L183 HydrophobicContact CB-CB 3.97Å; N180-L183 VanDerWaalsContact CG-CB 3.44Å; N180-L183 PolarHBondContact O-N 3.04Å; N180-L183 WeakPolarHBondContact OD1-CB 3.35Å; N180-L183 PolarHBondContact OD1-N 3.11Å; K181-L183 PolarHBondContact O-N 3.2Å; L183-N187 WeakPolarHBondContact O-CB 3.28Å; L183-N187 PolarHBondContact O-N 3.42Å; L183-N187 VanDerWaalsContact O-N 3.09Å; L183-N187 PolarHBondContact O-ND2 3.43Å
184M95.7Very high96.2Very high2 Ų249.5 Ų49.51%0.0126%0.26CS..Hα-helixtrans-63.4-44.8174.6-74.7-78.7-70.400110.8V178 N180 K181 N187 G188 I189 V192 F204 I205 I245V178-M184 HydrophobicContact CG2-SD 4.48Å; N180-M184 WeakPolarHBondContact O-CB 3.27Å; N180-M184 WeakPolarHBondContact O-CG 3.37Å; N180-M184 PolarHBondContact O-N 3.31Å; K181-M184 WeakPolarHBondContact O-CB 3.42Å; K181-M184 PolarHBondContact O-N 2.94Å; M184-N187 PolarHBondContact O-N 3.22Å; M184-G188 PolarHBondContact O-N 2.58Å; M184-G188 VanDerWaalsContact O-N 3.17Å; M184-I189 HydrophobicContact CE-CB 3.95Å; M184-I189 HydrophobicContact CE-CG2 3.49Å; M184-I189 VanDerWaalsContact CE-CG2 3.49Å; M184-I189 PolarHBondContact O-N 2.98Å; M184-I189 HydrophobicContact SD-CB 3.94Å; M184-I189 HydrophobicContact SD-CD1 3.97Å; M184-I189 HydrophobicContact SD-CG2 3.81Å; M184-V192 HydrophobicContact CE-CG2 3.65Å; M184-F204 HydrophobicContact CB-CE2 3.91Å; M184-F204 HydrophobicContact CB-CZ 4.25Å; M184-F204 HydrophobicContact CE-CE2 4.19Å; M184-F204 HydrophobicContact CG-CE2 4.05Å; M184-F204 HydrophobicContact CG-CZ 4.06Å; M184-I205 HydrophobicContact CE-CD1 4.01Å; M184-I205 HydrophobicContact CE-CG1 4.48Å; M184-I245 HydrophobicContact CE-CG2 3.93Å; M184-I245 HydrophobicContact SD-CD1 4.36Å; M184-I245 HydrophobicContact SD-CG2 4Å
185S94.5Very high96.3Very high81 Ų8148.9 Ų48.957%0.56626%0.256SS*.Hα-helixtrans-65.5-45.4175.9-64.90000112.8K181 D182 N187 G188K181-S185 PolarHBondContact O-N 2.86Å; K181-S185 PolarHBondContact O-OG 3.41Å; D182-S185 PolarHBondContact O-N 3.27Å; S185-N187 VanDerWaalsContact C-N 3.27Å; S185-N187 PolarHBondContact O-N 3.4Å; S185-G188 PolarHBondContact O-N 3.36Å
186Q94.8Very high96.2Very high155 Ų15546.6 Ų46.672%0.72425%0.245SC*.Hα-helixtrans-58.3-37.5176.1-74.8164.513.300112.4D182 G188D182-Q186 WeakPolarHBondContact O-CB 3.42Å; D182-Q186 WeakPolarHBondContact O-CG 3.32Å; D182-Q186 PolarHBondContact O-N 3.22Å; Q186-G188 VanDerWaalsContact C-N 3.3Å
187N94.8Very high96Very high41 Ų4141.4 Ų41.422%0.21923%0.226CC..THydrogen-bonded Turntrans-83.8-1.7176.1-75.2-84.1000113.5Y171 L183 M184 S185 I189 R243Y171-N187 HydrophobicContact CE1-CB 4.05Å; Y171-N187 VanDerWaalsContact CE1-OD1 3.3Å; Y171-N187 WeakPolarHBondContact CE1-OD1 3.44Å; L183-N187 WeakPolarHBondContact O-CB 3.28Å; L183-N187 PolarHBondContact O-N 3.42Å; L183-N187 VanDerWaalsContact O-N 3.09Å; L183-N187 PolarHBondContact O-ND2 3.43Å; M184-N187 PolarHBondContact O-N 3.22Å; S185-N187 VanDerWaalsContact C-N 3.27Å; S185-N187 PolarHBondContact O-N 3.4Å; N187-I189 VanDerWaalsContact C-N 3.28Å; N187-I189 HydrophobicContact CB-CD1 3.57Å; N187-I189 HydrophobicContact CB-CG1 3.68Å; N187-I189 PolarHBondContact O-N 3.41Å; N187-R243 WeakPolarHBondContact O-CD 3.24Å; N187-R243 PolarHBondContact O-NH1 3Å
188G95.6Very high95.8Very high33 Ų3345.7 Ų45.734%0.3425%0.253SS..THydrogen-bonded Turntrans64.129.4-178.400000113.7M184 S185 Q186 T190 R243M184-G188 PolarHBondContact O-N 2.58Å; M184-G188 VanDerWaalsContact O-N 3.17Å; S185-G188 PolarHBondContact O-N 3.36Å; Q186-G188 VanDerWaalsContact C-N 3.3Å; G188-T190 PolarHBondContact O-N 2.91Å; G188-R243 WeakPolarHBondContact O-CB 3.17Å
189I97.6Very high95.6Very high8 Ų845.7 Ų45.74%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-85.2113.1-174-58.6169000109.5P163 Y171 M184 N187 R243 I245P163-I189 HydrophobicContact CG-CD1 4.22Å; Y171-I189 HydrophobicContact CD1-CD1 4.08Å; Y171-I189 HydrophobicContact CD2-CD1 4.41Å; Y171-I189 HydrophobicContact CD2-CG1 4.32Å; Y171-I189 HydrophobicContact CE1-CD1 4.49Å; Y171-I189 HydrophobicContact CG-CD1 4.02Å; Y171-I189 HydrophobicContact CG-CG1 4.42Å; M184-I189 HydrophobicContact CE-CB 3.95Å; M184-I189 HydrophobicContact CE-CG2 3.49Å; M184-I189 VanDerWaalsContact CE-CG2 3.49Å; M184-I189 PolarHBondContact O-N 2.98Å; M184-I189 HydrophobicContact SD-CB 3.94Å; M184-I189 HydrophobicContact SD-CD1 3.97Å; M184-I189 HydrophobicContact SD-CG2 3.81Å; N187-I189 VanDerWaalsContact C-N 3.28Å; N187-I189 HydrophobicContact CB-CD1 3.57Å; N187-I189 HydrophobicContact CB-CG1 3.68Å; N187-I189 PolarHBondContact O-N 3.41Å; I189-R243 HydrophobicContact CG1-CB 4.49Å; I189-I245 HydrophobicContact CD1-CB 4.33Å; I189-I245 HydrophobicContact CD1-CD1 4.29Å; I189-I245 HydrophobicContact CG2-CB 3.77Å; I189-I245 HydrophobicContact CG2-CG2 3.53Å
190T96.9Very high95.6Very high56 Ų5644.8 Ų44.834%0.34425%0.252SS..EExtended strand (participates in β ladder)trans-111.5-17.9-176.250.70000113.5G188 H209 C242 R243G188-T190 PolarHBondContact O-N 2.91Å; T190-H209 VanDerWaalsContact O-CB 3.27Å; T190-H209 WeakPolarHBondContact O-CB 3.39Å; T190-C242 WeakPolarHBondContact OG1-CB 3.46Å; T190-C242 PolarHBondContact OG1-SG 2.84Å; T190-R243 PolarHBondContact N-O 3.12Å
191Y98.4Very high95.6Very high6 Ų643.7 Ų43.72%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-114.4142.4178.5-80.4-113000111.6H209 F233 K236 A237 C242 R243 V244 I245Y191-H209 CarbonylContact C-O 3.53Å; Y191-H209 WeakPolarHBondContact CA-O 3.43Å; Y191-H209 HydrophobicContact CD1-CB 3.91Å; Y191-H209 HydrophobicContact CD2-CB 4Å; Y191-H209 AromaticContact CD2-CG 3.95Å; Y191-H209 HydrophobicContact CE1-CB 4.1Å; Y191-H209 AromaticContact CE1-CD2 3.72Å; Y191-H209 HydrophobicContact CE2-CB 4.18Å; Y191-H209 AromaticContact CE2-CD2 3.53Å; Y191-H209 AromaticContact CE2-CG 3.68Å; Y191-H209 AromaticContact CE2-NE2 3.87Å; Y191-H209 HydrophobicContact CG-CB 3.85Å; Y191-H209 AromaticContact CZ-CD2 3.23Å; Y191-H209 AromaticContact CZ-CG 3.77Å; Y191-H209 AromaticContact CZ-NE2 3.79Å; Y191-H209 PolarHBondContact OH-CD2 2.73Å; Y191-H209 VanDerWaalsContact OH-CD2 3.29Å; Y191-F233 HydrophobicContact CD1-CE1 4.19Å; Y191-F233 AromaticContact CD1-CE2 3.98Å; Y191-F233 HydrophobicContact CD1-CE2 3.98Å; Y191-F233 AromaticContact CD1-CZ 3.7Å; Y191-F233 HydrophobicContact CD1-CZ 3.7Å; Y191-F233 HydrophobicContact CE1-CE2 4.4Å; Y191-K236 HydrophobicContact CE1-CD 4.46Å; Y191-A237 HydrophobicContact CD1-CB 3.8Å; Y191-A237 HydrophobicContact CD2-CB 3.93Å; Y191-A237 HydrophobicContact CE1-CB 4.15Å; Y191-A237 HydrophobicContact CE2-CB 4.28Å; Y191-A237 HydrophobicContact CG-CB 3.69Å; Y191-C242 HydrophobicContact CD2-CB 3.69Å; Y191-C242 HydrophobicContact CE2-CB 3.65Å; Y191-R243 PolarHBondContact N-O 2.89Å; Y191-R243 VanDerWaalsContact N-O 3.11Å; Y191-V244 WeakPolarHBondContact O-CA 3.43Å; Y191-I245 PolarHBondContact O-N 2.85Å
192V98.6Very high95.6Very high0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-131.3122.5-179.9176.20000111.3V178 M184 I205 H209 F210 M211 I245V178-V192 HydrophobicContact CG1-CG1 3.88Å; V178-V192 HydrophobicContact CG1-CG2 4.32Å; M184-V192 HydrophobicContact CE-CG2 3.65Å; V192-I205 HydrophobicContact CB-CG2 4.34Å; V192-I205 HydrophobicContact CG2-CD1 4.01Å; V192-I205 HydrophobicContact CG2-CG1 3.82Å; V192-I205 HydrophobicContact CG2-CG2 4.1Å; V192-H209 PolarHBondContact N-O 3.04Å; V192-F210 HydrophobicContact CB-CD2 4.04Å; V192-F210 HydrophobicContact CG1-CD2 3.99Å; V192-F210 HydrophobicContact CG1-CE2 4.01Å; V192-F210 WeakPolarHBondContact O-CA 3.46Å; V192-M211 PolarHBondContact O-N 3.45Å; V192-I245 HydrophobicContact CB-CG2 4.34Å; V192-I245 HydrophobicContact CG1-CG2 4.43Å; V192-I245 HydrophobicContact CG2-CG2 3.78Å
193L98.7Very high95.5Very high0 Ų040.3 Ų40.30%023%0.231CC..EExtended strand (participates in β ladder)trans-109.2107.4173-158.5177.4000109.4M211 I213 T230 F233 I234 V244 I245 V246 H247 I258L193-M211 CarbonylContact C-O 3.55Å; L193-M211 WeakPolarHBondContact CA-O 3.41Å; L193-M211 HydrophobicContact CD1-SD 4.33Å; L193-M211 HydrophobicContact CD2-SD 4.49Å; L193-M211 HydrophobicContact CG-CB 4.36Å; L193-M211 HydrophobicContact CG-SD 4.03Å; L193-I213 HydrophobicContact CD2-CG1 3.8Å; L193-T230 HydrophobicContact CD1-CG2 3.9Å; L193-T230 HydrophobicContact CD2-CG2 4.08Å; L193-T230 HydrophobicContact CG-CG2 4.46Å; L193-F233 HydrophobicContact CB-CD1 4.1Å; L193-F233 HydrophobicContact CB-CE1 3.92Å; L193-F233 HydrophobicContact CD1-CD1 3.99Å; L193-F233 HydrophobicContact CG-CD1 4.03Å; L193-F233 HydrophobicContact CG-CE1 4.27Å; L193-I234 HydrophobicContact CD1-CD1 4.18Å; L193-I234 HydrophobicContact CD1-CG1 4.12Å; L193-V244 HydrophobicContact CB-CG2 4.32Å; L193-I245 PolarHBondContact N-O 3.05Å; L193-V246 HydrophobicContact CB-CB 4.48Å; L193-V246 HydrophobicContact CB-CG1 4.46Å; L193-V246 HydrophobicContact CB-CG2 4.1Å; L193-V246 HydrophobicContact CD1-CG1 4.42Å; L193-V246 HydrophobicContact CD1-CG2 4.04Å; L193-V246 HydrophobicContact CD2-CG1 4.43Å; L193-V246 WeakPolarHBondContact O-CA 3.23Å; L193-H247 PolarHBondContact O-CD2 3.09Å; L193-H247 PolarHBondContact O-N 3.18Å; L193-I258 HydrophobicContact CD1-CG2 4.22Å; L193-I258 HydrophobicContact CD2-CD1 4.04Å
194N98.4Very high95.5Very high0 Ų042.8 Ų42.80%024%0.241CC..EExtended strand (participates in β ladder)trans-10198.5-173.2-174.7-27.5000111.3S196 C199 P200 F210 M211 R212 I213 H247N194-S196 PolarHBondContact O-N 2.73Å; N194-S196 WeakPolarHBondContact OD1-CB 3.36Å; N194-S196 PolarHBondContact OD1-N 2.95Å; N194-S196 PolarHBondContact OD1-OG 3.15Å; N194-C199 PolarHBondContact ND2-O 3.19Å; N194-P200 PolarHBondContact ND2-O 2.87Å; N194-F210 HydrophobicContact CB-CE2 3.61Å; N194-F210 HydrophobicContact CB-CZ 3.78Å; N194-M211 PolarHBondContact N-O 3.16Å; N194-R212 PolarHBondContact ND2-NH1 3.32Å; N194-R212 WeakPolarHBondContact O-CA 3.42Å; N194-R212 PolarHBondContact OD1-NH1 2.75Å; N194-I213 PolarHBondContact O-N 3.25Å; N194-H247 VanDerWaalsContact CB-NE2 3.27Å; N194-H247 WeakPolarHBondContact CB-NE2 3.21Å; N194-H247 PolarHBondContact ND2-NE2 2.57Å
195A98.1Very high95.5Very high0 Ų043.1 Ų43.10%024%0.243CC..EExtended strand (participates in β ladder)trans-8362.4175.400000111.3I213 V215 H247 C248 R254 I258A195-I213 CarbonylContact C-O 3.58Å; A195-V215 HydrophobicContact CB-CG2 4.26Å; A195-H247 WeakPolarHBondContact CB-O 3.29Å; A195-H247 PolarHBondContact N-O 3.19Å; A195-C248 HydrophobicContact CB-CB 4.35Å; A195-C248 WeakPolarHBondContact O-CB 3.11Å; A195-R254 HydrophobicContact CB-CB 4.08Å; A195-R254 WeakPolarHBondContact O-CD 3.28Å; A195-R254 PolarHBondContact O-NH1 2.83Å; A195-I258 HydrophobicContact CB-CD1 3.61Å
196S95.8Very high95.4Very high0 Ų041.7 Ų41.70%023%0.233CC..  trans-160158.5175820000114.5N194 T198 C199 R212 I213 V215N194-S196 PolarHBondContact O-N 2.73Å; N194-S196 WeakPolarHBondContact OD1-CB 3.36Å; N194-S196 PolarHBondContact OD1-N 2.95Å; N194-S196 PolarHBondContact OD1-OG 3.15Å; S196-T198 PolarHBondContact OG-N 3.16Å; S196-C199 WeakPolarHBondContact OG-CB 3.47Å; S196-C199 PolarHBondContact OG-N 2.93Å; S196-C199 PolarHBondContact OG-SG 2.79Å; S196-R212 WeakPolarHBondContact O-CG 3.41Å; S196-R212 PolarHBondContact O-NH1 3.15Å; S196-I213 PolarHBondContact N-O 3.08Å; S196-V215 WeakPolarHBondContact CA-O 3.41Å
197N92.2Very high95.3Very high69 Ų6940.6 Ų40.637%0.36923%0.228SC..SBendtrans-80.1-23.9166.1-72.4-50.9000114.2P214 N216N197-P214 PolarHBondContact ND2-O 2.85Å; N197-P214 VanDerWaalsContact ND2-O 3.15Å; N197-P214 WeakPolarHBondContact OD1-CA 3.37Å; N197-P214 WeakPolarHBondContact OD1-CB 3.46Å; N197-P214 PolarHBondContact OD1-O 3.31Å; N197-N216 VanDerWaalsContact ND2-CG 3.28Å; N197-N216 PolarHBondContact ND2-ND2 2.76Å; N197-N216 VanDerWaalsContact ND2-ND2 3.15Å; N197-N216 PolarHBondContact ND2-OD1 2.89Å
198T91.5Very high95.3Very high106 Ų10642 Ų4265%0.6524%0.241SC*.SBendtrans-118.2-20.1-163.253.20000115.9S196S196-T198 PolarHBondContact OG-N 3.16Å
199C93.3Very high95.3Very high0 Ų043.1 Ų43.10%024%0.237CC..SBendtrans-74.7128.9177.9-50.20000108.4Q175 N194 S196 R212Q175-C199 HydrophobicContact CB-CB 4.35Å; Q175-C199 HydrophobicContact CG-CB 4.08Å; Q175-C199 PolarHBondContact OE1-SG 2.86Å; N194-C199 PolarHBondContact ND2-O 3.19Å; S196-C199 WeakPolarHBondContact OG-CB 3.47Å; S196-C199 PolarHBondContact OG-N 2.93Å; S196-C199 PolarHBondContact OG-SG 2.79Å; C199-R212 VanDerWaalsContact O-CZ 3.31Å; C199-R212 PolarHBondContact O-NH1 3.24Å; C199-R212 PolarHBondContact O-NH2 3.25Å
200P94Very high95.3Very high62 Ų6244.2 Ų44.240%0.40324%0.242SC..PPolyproline II helixtrans-66.2168.1178.628.1-35.2000112.4L179 N194L179-P200 HydrophobicContact CD2-CG 4.29Å; N194-P200 PolarHBondContact ND2-O 2.87Å
201K95.4Very high95.4Very high45 Ų4542.6 Ų42.620%0.19623%0.231CC..PPolyproline II helixtrans-80.4138.8162.1-175.2-170.171.168.40107.7I205 E207 F210K201-I205 PolarHBondContact NZ-O 3.22Å; K201-E207 WeakPolarHBondContact CD-OE1 3.24Å; K201-E207 WeakPolarHBondContact CD-OE2 3.05Å; K201-E207 WeakPolarHBondContact CE-OE1 3.38Å; K201-F210 HydrophobicContact CB-CD1 4.31Å; K201-F210 HydrophobicContact CB-CD2 4.33Å; K201-F210 HydrophobicContact CB-CE1 4.03Å; K201-F210 HydrophobicContact CB-CE2 4.02Å; K201-F210 HydrophobicContact CB-CG 4.47Å; K201-F210 HydrophobicContact CB-CZ 3.88Å; K201-F210 HydrophobicContact CD-CB 4.01Å; K201-F210 HydrophobicContact CD-CD1 3.81Å; K201-F210 HydrophobicContact CD-CD2 4.28Å; K201-F210 HydrophobicContact CD-CE1 4.36Å; K201-F210 HydrophobicContact CD-CG 3.77Å; K201-F210 HydrophobicContact CG-CB 4.33Å; K201-F210 HydrophobicContact CG-CD1 3.95Å; K201-F210 HydrophobicContact CG-CD2 3.7Å; K201-F210 HydrophobicContact CG-CE1 4.16Å; K201-F210 HydrophobicContact CG-CE2 3.9Å; K201-F210 HydrophobicContact CG-CG 3.72Å; K201-F210 HydrophobicContact CG-CZ 4.14Å
202P93.8Very high95.4Very high1 Ų146.3 Ų46.31%0.00625%0.245CC..PPolyproline II helixtrans-67.2142.7169.1-16.931000111.2V178 F204 I205V178-P202 HydrophobicContact CG1-CG 3.45Å; V178-P202 VanDerWaalsContact CG1-CG 3.45Å; V178-P202 VanDerWaalsContact O-CG 3.25Å; V178-P202 WeakPolarHBondContact O-CG 3.34Å; P202-F204 VanDerWaalsContact C-N 3.27Å; P202-F204 HydrophobicContact CB-CD1 3.97Å; P202-F204 HydrophobicContact CB-CD2 4.39Å; P202-F204 HydrophobicContact CB-CE1 3.58Å; P202-F204 HydrophobicContact CB-CE2 4.03Å; P202-F204 HydrophobicContact CB-CG 4.36Å; P202-F204 HydrophobicContact CB-CZ 3.61Å; P202-F204 HydrophobicContact CG-CZ 4.26Å; P202-F204 PolarHBondContact O-N 2.7Å; P202-I205 HydrophobicContact CB-CG1 4.04Å; P202-I205 HydrophobicContact CG-CG1 4.13Å; P202-I205 PolarHBondContact O-N 3.24Å
203D93.5Very high95.3Very high157 Ų15746.3 Ų46.384%0.8425%0.245SC*.THydrogen-bonded Turntrans-65.5-33.5-177-52.1-55.4000112.1I205D203-I205 PolarHBondContact O-N 3.03Å
204F93.9Very high95.2Very high76 Ų7649 Ų4933%0.33326%0.262SS..THydrogen-bonded Turntrans-775179.660.2-97.3000115.2V178 K181 M184 P202V178-F204 WeakPolarHBondContact O-CZ 3.22Å; K181-F204 HydrophobicContact CB-CD1 3.95Å; K181-F204 HydrophobicContact CB-CE1 3.68Å; K181-F204 HydrophobicContact CB-CZ 4.09Å; K181-F204 HydrophobicContact CD-CD1 4.32Å; K181-F204 HydrophobicContact CG-CD1 3.88Å; K181-F204 HydrophobicContact CG-CD2 4.39Å; K181-F204 HydrophobicContact CG-CE1 4.07Å; K181-F204 HydrophobicContact CG-CG 4.06Å; K181-F204 HydrophobicContact CG-CZ 4.42Å; M184-F204 HydrophobicContact CB-CE2 3.91Å; M184-F204 HydrophobicContact CB-CZ 4.25Å; M184-F204 HydrophobicContact CE-CE2 4.19Å; M184-F204 HydrophobicContact CG-CE2 4.05Å; M184-F204 HydrophobicContact CG-CZ 4.06Å; P202-F204 VanDerWaalsContact C-N 3.27Å; P202-F204 HydrophobicContact CB-CD1 3.97Å; P202-F204 HydrophobicContact CB-CD2 4.39Å; P202-F204 HydrophobicContact CB-CE1 3.58Å; P202-F204 HydrophobicContact CB-CE2 4.03Å; P202-F204 HydrophobicContact CB-CG 4.36Å; P202-F204 HydrophobicContact CB-CZ 3.61Å; P202-F204 HydrophobicContact CG-CZ 4.26Å; P202-F204 PolarHBondContact O-N 2.7Å
205I95.1Very high95Very high9 Ų949 Ų495%0.04626%0.263CS..SBendtrans-111.4127.8176.5-61.2-67.7000109.4M184 V192 K201 P202 D203 F210M184-I205 HydrophobicContact CE-CD1 4.01Å; M184-I205 HydrophobicContact CE-CG1 4.48Å; V192-I205 HydrophobicContact CB-CG2 4.34Å; V192-I205 HydrophobicContact CG2-CD1 4.01Å; V192-I205 HydrophobicContact CG2-CG1 3.82Å; V192-I205 HydrophobicContact CG2-CG2 4.1Å; K201-I205 PolarHBondContact NZ-O 3.22Å; P202-I205 HydrophobicContact CB-CG1 4.04Å; P202-I205 HydrophobicContact CG-CG1 4.13Å; P202-I205 PolarHBondContact O-N 3.24Å; D203-I205 PolarHBondContact O-N 3.03Å; I205-F210 HydrophobicContact CG2-CB 4.37Å
206S93.1Very high94.7Very high52 Ų5252.4 Ų52.436%0.36428%0.28SS..  trans-69.9147.6177.157.60000111.9S208 H209 F210S206-S208 WeakPolarHBondContact CB-OG 3.27Å; S206-S208 PolarHBondContact O-N 3.49Å; S206-S208 PolarHBondContact OG-OG 3.45Å; S206-H209 CarbonylContact O-C 3.42Å; S206-H209 PolarHBondContact O-N 3.25Å; S206-H209 PolarHBondContact OG-ND1 3.25Å; S206-F210 PolarHBondContact O-N 3.31Å
207E92.4Very high94.6Very high132 Ų13255.5 Ų55.562%0.61730%0.297SS*.G310 helixtrans-60.4-29175.6-63-64.8174.600112.2K201 H209 F210K201-E207 WeakPolarHBondContact CD-OE1 3.24Å; K201-E207 WeakPolarHBondContact CD-OE2 3.05Å; K201-E207 WeakPolarHBondContact CE-OE1 3.38Å; E207-H209 PolarHBondContact O-N 3.43Å; E207-F210 PolarHBondContact O-N 3.44Å
208S93.9Very high94.3Very high71 Ų7154.8 Ų54.850%0.49729%0.293SS..G310 helixtrans-60-24.6173.860.20000114.3S206S206-S208 WeakPolarHBondContact CB-OG 3.27Å; S206-S208 PolarHBondContact O-N 3.49Å; S206-S208 PolarHBondContact OG-OG 3.45Å
209H96.8Very high94.1Very high56 Ų5657.6 Ų57.626%0.25929%0.293SS..G310 helixtrans-116.614.5-178.2-54.5161.9000112T190 Y191 V192 S206 E207 F233T190-H209 VanDerWaalsContact O-CB 3.27Å; T190-H209 WeakPolarHBondContact O-CB 3.39Å; Y191-H209 CarbonylContact C-O 3.53Å; Y191-H209 WeakPolarHBondContact CA-O 3.43Å; Y191-H209 HydrophobicContact CD1-CB 3.91Å; Y191-H209 HydrophobicContact CD2-CB 4Å; Y191-H209 AromaticContact CD2-CG 3.95Å; Y191-H209 HydrophobicContact CE1-CB 4.1Å; Y191-H209 AromaticContact CE1-CD2 3.72Å; Y191-H209 HydrophobicContact CE2-CB 4.18Å; Y191-H209 AromaticContact CE2-CD2 3.53Å; Y191-H209 AromaticContact CE2-CG 3.68Å; Y191-H209 AromaticContact CE2-NE2 3.87Å; Y191-H209 HydrophobicContact CG-CB 3.85Å; Y191-H209 AromaticContact CZ-CD2 3.23Å; Y191-H209 AromaticContact CZ-CG 3.77Å; Y191-H209 AromaticContact CZ-NE2 3.79Å; Y191-H209 PolarHBondContact OH-CD2 2.73Å; Y191-H209 VanDerWaalsContact OH-CD2 3.29Å; V192-H209 PolarHBondContact N-O 3.04Å; S206-H209 CarbonylContact O-C 3.42Å; S206-H209 PolarHBondContact O-N 3.25Å; S206-H209 PolarHBondContact OG-ND1 3.25Å; E207-H209 PolarHBondContact O-N 3.43Å; H209-F233 WeakPolarHBondContact O-CZ 3.42Å
210F98.3Very high93.8Very high31 Ų3163 Ų6314%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-111.6139.9175.9-177.5-114.9000111.2V192 N194 K201 I205 S206 E207 R212V192-F210 HydrophobicContact CB-CD2 4.04Å; V192-F210 HydrophobicContact CG1-CD2 3.99Å; V192-F210 HydrophobicContact CG1-CE2 4.01Å; V192-F210 WeakPolarHBondContact O-CA 3.46Å; N194-F210 HydrophobicContact CB-CE2 3.61Å; N194-F210 HydrophobicContact CB-CZ 3.78Å; K201-F210 HydrophobicContact CB-CD1 4.31Å; K201-F210 HydrophobicContact CB-CD2 4.33Å; K201-F210 HydrophobicContact CB-CE1 4.03Å; K201-F210 HydrophobicContact CB-CE2 4.02Å; K201-F210 HydrophobicContact CB-CG 4.47Å; K201-F210 HydrophobicContact CB-CZ 3.88Å; K201-F210 HydrophobicContact CD-CB 4.01Å; K201-F210 HydrophobicContact CD-CD1 3.81Å; K201-F210 HydrophobicContact CD-CD2 4.28Å; K201-F210 HydrophobicContact CD-CE1 4.36Å; K201-F210 HydrophobicContact CD-CG 3.77Å; K201-F210 HydrophobicContact CG-CB 4.33Å; K201-F210 HydrophobicContact CG-CD1 3.95Å; K201-F210 HydrophobicContact CG-CD2 3.7Å; K201-F210 HydrophobicContact CG-CE1 4.16Å; K201-F210 HydrophobicContact CG-CE2 3.9Å; K201-F210 HydrophobicContact CG-CG 3.72Å; K201-F210 HydrophobicContact CG-CZ 4.14Å; I205-F210 HydrophobicContact CG2-CB 4.37Å; S206-F210 PolarHBondContact O-N 3.31Å; E207-F210 PolarHBondContact O-N 3.44Å; F210-R212 HydrophobicContact CE1-CB 4.05Å; F210-R212 HydrophobicContact CZ-CB 4.17Å
211M98.1Very high93.8Very high22 Ų2262 Ų6211%0.10832%0.319CS..EExtended strand (participates in β ladder)trans-137.2130.1170.9-172.1-165.4-159.800109.8V192 L193 N194 I213 K229 T230 F233V192-M211 PolarHBondContact O-N 3.45Å; L193-M211 CarbonylContact C-O 3.55Å; L193-M211 WeakPolarHBondContact CA-O 3.41Å; L193-M211 HydrophobicContact CD1-SD 4.33Å; L193-M211 HydrophobicContact CD2-SD 4.49Å; L193-M211 HydrophobicContact CG-CB 4.36Å; L193-M211 HydrophobicContact CG-SD 4.03Å; N194-M211 PolarHBondContact N-O 3.16Å; M211-I213 HydrophobicContact CE-CD1 3.62Å; M211-I213 HydrophobicContact CG-CD1 4.35Å; M211-I213 HydrophobicContact SD-CD1 3.96Å; M211-K229 HydrophobicContact CE-CB 4.05Å; M211-K229 HydrophobicContact CE-CD 3.73Å; M211-K229 HydrophobicContact CE-CG 3.57Å; M211-K229 WeakPolarHBondContact CE-O 3.34Å; M211-T230 HydrophobicContact CE-CG2 4.39Å; M211-T230 HydrophobicContact SD-CG2 4.2Å; M211-F233 HydrophobicContact CB-CD1 4.01Å; M211-F233 HydrophobicContact CB-CD2 3.81Å; M211-F233 HydrophobicContact CB-CE1 3.83Å; M211-F233 HydrophobicContact CB-CE2 3.63Å; M211-F233 HydrophobicContact CB-CG 3.99Å; M211-F233 HydrophobicContact CB-CZ 3.62Å; M211-F233 HydrophobicContact CG-CD2 4.37Å; M211-F233 HydrophobicContact CG-CG 4.4Å; M211-F233 HydrophobicContact SD-CB 3.66Å; M211-F233 HydrophobicContact SD-CD1 4.11Å; M211-F233 HydrophobicContact SD-CD2 4.21Å; M211-F233 HydrophobicContact SD-CG 3.74Å
212R98.1Very high93.7Very high83 Ų8367 Ų6731%0.31334%0.341SS..EExtended strand (participates in β ladder)trans-106.5131.9170.4-175.6178.2-62.9-79.10.2111N194 S196 C199 F210N194-R212 PolarHBondContact ND2-NH1 3.32Å; N194-R212 WeakPolarHBondContact O-CA 3.42Å; N194-R212 PolarHBondContact OD1-NH1 2.75Å; S196-R212 WeakPolarHBondContact O-CG 3.41Å; S196-R212 PolarHBondContact O-NH1 3.15Å; C199-R212 VanDerWaalsContact O-CZ 3.31Å; C199-R212 PolarHBondContact O-NH1 3.24Å; C199-R212 PolarHBondContact O-NH2 3.25Å; F210-R212 HydrophobicContact CE1-CB 4.05Å; F210-R212 HydrophobicContact CZ-CB 4.17Å
213I97.7Very high93.7Very high0 Ų067 Ų670%034%0.341CS..EExtended strand (participates in β ladder)trans-107.8111.2164.4-51.2-59.1000107.3L193 N194 A195 S196 M211 V215 L223 W226 T230L193-I213 HydrophobicContact CD2-CG1 3.8Å; N194-I213 PolarHBondContact O-N 3.25Å; A195-I213 CarbonylContact C-O 3.58Å; S196-I213 PolarHBondContact N-O 3.08Å; M211-I213 HydrophobicContact CE-CD1 3.62Å; M211-I213 HydrophobicContact CG-CD1 4.35Å; M211-I213 HydrophobicContact SD-CD1 3.96Å; I213-V215 VanDerWaalsContact C-N 3.26Å; I213-V215 HydrophobicContact CB-CG2 4.4Å; I213-V215 HydrophobicContact CG2-CG1 3.91Å; I213-V215 HydrophobicContact CG2-CG2 3.94Å; I213-V215 PolarHBondContact O-N 3.16Å; I213-L223 HydrophobicContact CG2-CD1 4.06Å; I213-W226 HydrophobicContact CD1-CB 4.2Å; I213-W226 HydrophobicContact CD1-CD2 4.13Å; I213-W226 HydrophobicContact CD1-CE3 3.68Å; I213-W226 HydrophobicContact CD1-CG 4.38Å; I213-W226 HydrophobicContact CD1-CZ3 4.37Å; I213-W226 HydrophobicContact CG2-CB 3.88Å; I213-W226 HydrophobicContact CG2-CD2 3.8Å; I213-W226 HydrophobicContact CG2-CE3 4.38Å; I213-W226 HydrophobicContact CG2-CG 3.55Å; I213-T230 HydrophobicContact CD1-CG2 3.56Å; I213-T230 HydrophobicContact CG1-CG2 3.57Å
214P95.6Very high93.8Very high57 Ų5761.5 Ų61.537%0.3731%0.312SS..  trans-79.363-169.232.1-36.3000113.2N197 W226N197-P214 PolarHBondContact ND2-O 2.85Å; N197-P214 VanDerWaalsContact ND2-O 3.15Å; N197-P214 WeakPolarHBondContact OD1-CA 3.37Å; N197-P214 WeakPolarHBondContact OD1-CB 3.46Å; N197-P214 PolarHBondContact OD1-O 3.31Å; P214-W226 HydrophobicContact CG-CH2 4.33Å; P214-W226 HydrophobicContact CG-CZ2 4.05Å
215V93.7Very high93.9Very high1 Ų162.8 Ų62.81%0.00633%0.327CS..  trans-115.2143.8-173.3-72.80000114.4A195 S196 I213 E221 L223 R254A195-V215 HydrophobicContact CB-CG2 4.26Å; S196-V215 WeakPolarHBondContact CA-O 3.41Å; I213-V215 VanDerWaalsContact C-N 3.26Å; I213-V215 HydrophobicContact CB-CG2 4.4Å; I213-V215 HydrophobicContact CG2-CG1 3.91Å; I213-V215 HydrophobicContact CG2-CG2 3.94Å; I213-V215 PolarHBondContact O-N 3.16Å; V215-E221 HydrophobicContact CB-CG 3.86Å; V215-E221 HydrophobicContact CG1-CG 3.9Å; V215-L223 HydrophobicContact CG1-CD1 4.35Å; V215-L223 HydrophobicContact CG2-CD1 4.28Å; V215-R254 HydrophobicContact CG2-CG 4.17Å; V215-R254 WeakPolarHBondContact O-CD 3.49Å; V215-R254 PolarHBondContact O-NH1 3.11Å
216N92.7Very high94.1Very high70 Ų7066.3 Ų66.337%0.37434%0.34SS..  trans-98.1162.9174.7-52.3-71.4000111.7N197 N218 E221 R254N197-N216 VanDerWaalsContact ND2-CG 3.28Å; N197-N216 PolarHBondContact ND2-ND2 2.76Å; N197-N216 VanDerWaalsContact ND2-ND2 3.15Å; N197-N216 PolarHBondContact ND2-OD1 2.89Å; N216-N218 PolarHBondContact O-N 3.01Å; N216-E221 VanDerWaalsContact CB-OE2 3.22Å; N216-E221 WeakPolarHBondContact CB-OE2 3.49Å; N216-E221 PolarHBondContact N-OE2 2.8Å; N216-E221 PolarHBondContact ND2-OE2 2.61Å; N216-R254 WeakPolarHBondContact O-CD 3.43Å
217D93.1Very high94.2Very high66 Ų6664 Ų6435%0.35332%0.323SS..SBendtrans-90.782.7175.5-112.9-50.2000109.8S253 R254D217-S253 WeakPolarHBondContact OD1-CB 3.4Å; D217-S253 PolarHBondContact OD1-OG 2.82Å; D217-R254 IonicContact OD1-NE 2.73Å; D217-R254 IonicContact OD2-CZ 3.97Å; D217-R254 IonicContact OD2-NE 2.84Å; D217-R254 PolarHBondContact OD2-NE 3.16Å; D217-R254 IonicContact OD2-NH2 3.21Å; D217-R254 PolarHBondContact OD2-NH2 3.17Å
218N85.8Confident94.3Very high54 Ų5460.9 Ų60.929%0.28931%0.311SS..SBendtrans-148.4170.6179.877.464.7000113.6N216 C220 E221 N290N216-N218 PolarHBondContact O-N 3.01Å; N218-C220 VanDerWaalsContact C-N 3.3Å; N218-C220 PolarHBondContact O-N 3.11Å; N218-C220 WeakPolarHBondContact OD1-CA 3.14Å; N218-C220 PolarHBondContact OD1-N 3.44Å; N218-E221 PolarHBondContact OD1-N 3.44Å; N218-N290 PolarHBondContact O-ND2 2.88Å
219Y87.9Confident94.4Very high165 Ų16563.2 Ų63.265%0.64731%0.313SS*.THydrogen-bonded Turntrans-78-5.4-173.2-61.8-87.6000115.2N288 N290Y219-N288 WeakPolarHBondContact CD1-ND2 3.48Å; Y219-N288 WeakPolarHBondContact CD1-OD1 3.35Å; Y219-N288 VanDerWaalsContact CE1-ND2 3.27Å; Y219-N288 WeakPolarHBondContact CE1-ND2 3.36Å; Y219-N288 VanDerWaalsContact CE1-OD1 3.24Å; Y219-N288 WeakPolarHBondContact CE1-OD1 3.12Å; Y219-N290 VanDerWaalsContact C-ND2 3.34Å; Y219-N290 WeakPolarHBondContact O-CB 3.43Å; Y219-N290 PolarHBondContact O-ND2 2.73Å
220C87.5Confident94.5Very high113 Ų11360.6 Ų60.676%0.76430%0.3SS*.THydrogen-bonded Turntrans-116.9-7.2-178.1-52.80000113.2N218N218-C220 VanDerWaalsContact C-N 3.3Å; N218-C220 PolarHBondContact O-N 3.11Å; N218-C220 WeakPolarHBondContact OD1-CA 3.14Å; N218-C220 PolarHBondContact OD1-N 3.44Å
221E93.5Very high94.4Very high40 Ų4059.1 Ų59.119%0.18729%0.294CS..  trans-72.8135.6-174.6-165.970.6-86.400111.6V215 N216 N218 N290 F291 Q294V215-E221 HydrophobicContact CB-CG 3.86Å; V215-E221 HydrophobicContact CG1-CG 3.9Å; N216-E221 VanDerWaalsContact CB-OE2 3.22Å; N216-E221 WeakPolarHBondContact CB-OE2 3.49Å; N216-E221 PolarHBondContact N-OE2 2.8Å; N216-E221 PolarHBondContact ND2-OE2 2.61Å; N218-E221 PolarHBondContact OD1-N 3.44Å; E221-N290 PolarHBondContact N-ND2 2.9Å; E221-N290 PolarHBondContact O-ND2 2.83Å; E221-F291 HydrophobicContact CB-CE1 4.1Å; E221-F291 HydrophobicContact CB-CZ 4.09Å; E221-F291 HydrophobicContact CG-CE1 4.5Å; E221-F291 HydrophobicContact CG-CZ 4.44Å; E221-Q294 PolarHBondContact O-NE2 2.9Å
222K92.9Very high94.4Very high151 Ų15163.7 Ų63.766%0.65732%0.315SS*.  trans-100.3107.3-179.8-67.2-169.5176.6-169.60111.3P225K222-P225 HydrophobicContact CB-CG 4.48Å
223L95.3Very high94.4Very high1 Ų160.9 Ų60.91%0.00531%0.305CS..  trans-97.9-29.8174.8-175.458.8000112.1I213 V215 P225 W226 L227 T257 I258 F291I213-L223 HydrophobicContact CG2-CD1 4.06Å; V215-L223 HydrophobicContact CG1-CD1 4.35Å; V215-L223 HydrophobicContact CG2-CD1 4.28Å; L223-P225 VanDerWaalsContact C-CD 3.44Å; L223-W226 HydrophobicContact CD1-CB 4.42Å; L223-W226 WeakPolarHBondContact O-CB 3.38Å; L223-W226 PolarHBondContact O-N 3.45Å; L223-L227 HydrophobicContact CG-CD2 4.05Å; L223-T257 HydrophobicContact CD2-CG2 3.8Å; L223-I258 HydrophobicContact CD1-CD1 4.21Å; L223-I258 HydrophobicContact CD1-CG1 4.12Å; L223-I258 HydrophobicContact CD2-CG1 4.09Å; L223-I258 HydrophobicContact CG-CG1 4.48Å; L223-F291 HydrophobicContact CB-CD1 3.99Å; L223-F291 HydrophobicContact CB-CE1 3.9Å; L223-F291 HydrophobicContact CD2-CD1 4.27Å; L223-F291 HydrophobicContact CD2-CE1 4.44Å
224L94.9Very high94.4Very high42 Ų4260.9 Ų60.922%0.2231%0.305CS..G310 helixtrans-44.6-48179177.663.8000114.3W226 L227 Q294 E297 F298L224-W226 PolarHBondContact O-N 2.91Å; L224-L227 HydrophobicContact CD1-CD1 4.03Å; L224-L227 PolarHBondContact O-N 2.79Å; L224-L227 VanDerWaalsContact O-N 3.14Å; L224-Q294 HydrophobicContact CB-CB 4.24Å; L224-Q294 HydrophobicContact CB-CG 4.25Å; L224-E297 HydrophobicContact CD2-CB 4.12Å; L224-E297 HydrophobicContact CD2-CG 3.7Å; L224-E297 WeakPolarHBondContact CD2-OE2 3.31Å; L224-F298 HydrophobicContact CD1-CB 3.72Å; L224-F298 HydrophobicContact CD1-CD2 3.96Å; L224-F298 HydrophobicContact CD1-CG 4.28Å
225P96.6Very high94.5Very high102 Ų10260.3 Ų60.366%0.66230%0.299SS*.G310 helixtrans-67.8-10.1-178.1-19.334000114.7K222 L223K222-P225 HydrophobicContact CB-CG 4.48Å; L223-P225 VanDerWaalsContact C-CD 3.44Å
226W97.5Very high94.7Very high84 Ų8465.4 Ų65.432%0.31832%0.321SS..G310 helixtrans-97.2-15.1178.1-61.399.4000113I213 P214 L223 L224 D228 K229 T230I213-W226 HydrophobicContact CD1-CB 4.2Å; I213-W226 HydrophobicContact CD1-CD2 4.13Å; I213-W226 HydrophobicContact CD1-CE3 3.68Å; I213-W226 HydrophobicContact CD1-CG 4.38Å; I213-W226 HydrophobicContact CD1-CZ3 4.37Å; I213-W226 HydrophobicContact CG2-CB 3.88Å; I213-W226 HydrophobicContact CG2-CD2 3.8Å; I213-W226 HydrophobicContact CG2-CE3 4.38Å; I213-W226 HydrophobicContact CG2-CG 3.55Å; P214-W226 HydrophobicContact CG-CH2 4.33Å; P214-W226 HydrophobicContact CG-CZ2 4.05Å; L223-W226 HydrophobicContact CD1-CB 4.42Å; L223-W226 WeakPolarHBondContact O-CB 3.38Å; L223-W226 PolarHBondContact O-N 3.45Å; L224-W226 PolarHBondContact O-N 2.91Å; W226-D228 PolarHBondContact O-N 3.05Å; W226-K229 PolarHBondContact O-N 2.82Å; W226-T230 WeakPolarHBondContact O-CG2 3.11Å; W226-T230 PolarHBondContact O-N 3.39Å; W226-T230 PolarHBondContact O-OG1 2.85Å
227L96.1Very high94.9Very high2 Ų262.1 Ų62.11%0.0130%0.303CS..Hα-helixtrans-60.6-46.5-166.3-67.4-177.8000112.5L223 L224 K229 T230 N231 I258 A261 F298L223-L227 HydrophobicContact CG-CD2 4.05Å; L224-L227 HydrophobicContact CD1-CD1 4.03Å; L224-L227 PolarHBondContact O-N 2.79Å; L224-L227 VanDerWaalsContact O-N 3.14Å; L227-K229 PolarHBondContact O-N 3Å; L227-T230 VanDerWaalsContact CA-OG1 3.32Å; L227-T230 WeakPolarHBondContact CA-OG1 3.21Å; L227-T230 PolarHBondContact O-N 2.99Å; L227-T230 PolarHBondContact O-OG1 2.92Å; L227-N231 PolarHBondContact O-N 3.39Å; L227-N231 PolarHBondContact O-ND2 3.41Å; L227-I258 HydrophobicContact CD2-CG1 4.42Å; L227-A261 HydrophobicContact CD1-CB 3.88Å; L227-A261 HydrophobicContact CD2-CB 3.76Å; L227-A261 HydrophobicContact CG-CB 4.27Å; L227-F298 HydrophobicContact CB-CD2 4.22Å; L227-F298 HydrophobicContact CB-CE2 3.96Å; L227-F298 HydrophobicContact CB-CZ 4.27Å; L227-F298 HydrophobicContact CD1-CB 3.95Å; L227-F298 HydrophobicContact CD1-CD1 4.05Å; L227-F298 HydrophobicContact CD1-CD2 3.82Å; L227-F298 HydrophobicContact CD1-CE2 4.32Å; L227-F298 HydrophobicContact CD1-CG 3.67Å
228D94.4Very high95Very high68 Ų6863 Ų6336%0.36430%0.304SS..Hα-helixtrans-62.4-45177.9-70.5-63000112.9W226 T230 N231 E232 K265W226-D228 PolarHBondContact O-N 3.05Å; D228-T230 VanDerWaalsContact C-N 3.27Å; D228-T230 PolarHBondContact O-N 3.42Å; D228-N231 WeakPolarHBondContact O-CB 3.44Å; D228-N231 PolarHBondContact O-N 3.42Å; D228-E232 WeakPolarHBondContact O-CG 3.13Å; D228-E232 PolarHBondContact O-N 3.27Å; D228-K265 IonicContact OD1-NZ 2.67Å; D228-K265 PolarHBondContact OD1-NZ 2.81Å
229K97.1Very high95.6Very high120 Ų12066.3 Ų66.352%0.52233%0.326SS..Hα-helixtrans-62.6-32.9175.6-157.4-174.1-179.5173.20112.6M211 W226 L227 F233M211-K229 HydrophobicContact CE-CB 4.05Å; M211-K229 HydrophobicContact CE-CD 3.73Å; M211-K229 HydrophobicContact CE-CG 3.57Å; M211-K229 WeakPolarHBondContact CE-O 3.34Å; W226-K229 PolarHBondContact O-N 2.82Å; L227-K229 PolarHBondContact O-N 3Å; K229-F233 PolarHBondContact O-N 3.34Å
230T97.9Very high95.9Very high0 Ų061.3 Ų61.30%032%0.315CS..Hα-helixtrans-72.4-35.4172.852.90000112.7L193 M211 I213 W226 L227 D228 F233 I234 I258L193-T230 HydrophobicContact CD1-CG2 3.9Å; L193-T230 HydrophobicContact CD2-CG2 4.08Å; L193-T230 HydrophobicContact CG-CG2 4.46Å; M211-T230 HydrophobicContact CE-CG2 4.39Å; M211-T230 HydrophobicContact SD-CG2 4.2Å; I213-T230 HydrophobicContact CD1-CG2 3.56Å; I213-T230 HydrophobicContact CG1-CG2 3.57Å; W226-T230 WeakPolarHBondContact O-CG2 3.11Å; W226-T230 PolarHBondContact O-N 3.39Å; W226-T230 PolarHBondContact O-OG1 2.85Å; L227-T230 VanDerWaalsContact CA-OG1 3.32Å; L227-T230 WeakPolarHBondContact CA-OG1 3.21Å; L227-T230 PolarHBondContact O-N 2.99Å; L227-T230 PolarHBondContact O-OG1 2.92Å; D228-T230 VanDerWaalsContact C-N 3.27Å; D228-T230 PolarHBondContact O-N 3.42Å; T230-F233 PolarHBondContact O-N 3.14Å; T230-I234 WeakPolarHBondContact O-CD1 3.13Å; T230-I234 VanDerWaalsContact O-CG1 3.29Å; T230-I234 WeakPolarHBondContact O-CG1 3.46Å; T230-I234 PolarHBondContact O-N 3.28Å; T230-I234 VanDerWaalsContact O-N 3.1Å; T230-I258 HydrophobicContact CG2-CD1 4.23Å; T230-I258 HydrophobicContact CG2-CG2 4.27Å
231N96.4Very high96.3Very high0 Ų063.5 Ų63.50%032%0.319CS..Hα-helixtrans-67.7-46176.7-64.9-30.9000110.6L227 D228 F233 I234 D235 Y262 K265L227-N231 PolarHBondContact O-N 3.39Å; L227-N231 PolarHBondContact O-ND2 3.41Å; D228-N231 WeakPolarHBondContact O-CB 3.44Å; D228-N231 PolarHBondContact O-N 3.42Å; N231-F233 VanDerWaalsContact C-N 3.29Å; N231-F233 PolarHBondContact O-N 3.03Å; N231-I234 PolarHBondContact O-N 3.11Å; N231-I234 VanDerWaalsContact O-N 3.12Å; N231-D235 PolarHBondContact O-N 3.48Å; N231-Y262 HydrophobicContact CB-CD2 4.11Å; N231-Y262 WeakPolarHBondContact OD1-CA 3.46Å; N231-Y262 WeakPolarHBondContact OD1-CB 3.39Å; N231-Y262 WeakPolarHBondContact OD1-CD2 3.38Å; N231-K265 HydrophobicContact CB-CD 4.07Å; N231-K265 WeakPolarHBondContact ND2-CD 3.48Å
232E97.4Very high96.5Very high119 Ų11963 Ų6356%0.55632%0.32SS*.Hα-helixtrans-54.3-41.7172.6-72.3163.1-16300112.6D228 D235 K236D228-E232 WeakPolarHBondContact O-CG 3.13Å; D228-E232 PolarHBondContact O-N 3.27Å; E232-D235 PolarHBondContact O-N 3.03Å; E232-K236 WeakPolarHBondContact O-CB 3.34Å; E232-K236 PolarHBondContact O-N 3.07Å
233F98.3Very high96.7Very high23 Ų2360.7 Ų60.710%0.10131%0.307CS..Hα-helixtrans-67.9-38.1177.4-179-97.2000112.7Y191 L193 H209 M211 K229 T230 N231 A237 V244Y191-F233 HydrophobicContact CD1-CE1 4.19Å; Y191-F233 AromaticContact CD1-CE2 3.98Å; Y191-F233 HydrophobicContact CD1-CE2 3.98Å; Y191-F233 AromaticContact CD1-CZ 3.7Å; Y191-F233 HydrophobicContact CD1-CZ 3.7Å; Y191-F233 HydrophobicContact CE1-CE2 4.4Å; L193-F233 HydrophobicContact CB-CD1 4.1Å; L193-F233 HydrophobicContact CB-CE1 3.92Å; L193-F233 HydrophobicContact CD1-CD1 3.99Å; L193-F233 HydrophobicContact CG-CD1 4.03Å; L193-F233 HydrophobicContact CG-CE1 4.27Å; H209-F233 WeakPolarHBondContact O-CZ 3.42Å; M211-F233 HydrophobicContact CB-CD1 4.01Å; M211-F233 HydrophobicContact CB-CD2 3.81Å; M211-F233 HydrophobicContact CB-CE1 3.83Å; M211-F233 HydrophobicContact CB-CE2 3.63Å; M211-F233 HydrophobicContact CB-CG 3.99Å; M211-F233 HydrophobicContact CB-CZ 3.62Å; M211-F233 HydrophobicContact CG-CD2 4.37Å; M211-F233 HydrophobicContact CG-CG 4.4Å; M211-F233 HydrophobicContact SD-CB 3.66Å; M211-F233 HydrophobicContact SD-CD1 4.11Å; M211-F233 HydrophobicContact SD-CD2 4.21Å; M211-F233 HydrophobicContact SD-CG 3.74Å; K229-F233 PolarHBondContact O-N 3.34Å; T230-F233 PolarHBondContact O-N 3.14Å; N231-F233 VanDerWaalsContact C-N 3.29Å; N231-F233 PolarHBondContact O-N 3.03Å; F233-A237 PolarHBondContact O-N 3.31Å; F233-V244 HydrophobicContact CD1-CG2 4.33Å; F233-V244 HydrophobicContact CE1-CG2 3.92Å
234I98.3Very high96.8Very high0 Ų060.6 Ų60.60%031%0.307CS..Hα-helixtrans-68.6-41.7174.9-65.1162.2000110.6L170 L193 T230 N231 A237 K238 V244 V246 I258 Y262L170-I234 HydrophobicContact CD1-CD1 4.2Å; L170-I234 HydrophobicContact CD1-CG1 4.4Å; L170-I234 HydrophobicContact CD1-CG2 4.2Å; L193-I234 HydrophobicContact CD1-CD1 4.18Å; L193-I234 HydrophobicContact CD1-CG1 4.12Å; T230-I234 WeakPolarHBondContact O-CD1 3.13Å; T230-I234 VanDerWaalsContact O-CG1 3.29Å; T230-I234 WeakPolarHBondContact O-CG1 3.46Å; T230-I234 PolarHBondContact O-N 3.28Å; T230-I234 VanDerWaalsContact O-N 3.1Å; N231-I234 PolarHBondContact O-N 3.11Å; N231-I234 VanDerWaalsContact O-N 3.12Å; I234-A237 PolarHBondContact O-N 3.33Å; I234-K238 WeakPolarHBondContact O-CB 3.32Å; I234-K238 PolarHBondContact O-N 2.91Å; I234-V244 HydrophobicContact CB-CG1 4.24Å; I234-V244 HydrophobicContact CG1-CG1 4.08Å; I234-V244 HydrophobicContact CG2-CG1 3.88Å; I234-V246 HydrophobicContact CD1-CG2 3.95Å; I234-V246 HydrophobicContact CG1-CG2 4.28Å; I234-I258 HydrophobicContact CD1-CG2 4.32Å; I234-Y262 HydrophobicContact CB-CD2 3.88Å; I234-Y262 HydrophobicContact CB-CE2 3.72Å; I234-Y262 HydrophobicContact CD1-CD2 3.85Å; I234-Y262 HydrophobicContact CD1-CG 3.98Å; I234-Y262 HydrophobicContact CG1-CD2 4.49Å; I234-Y262 HydrophobicContact CG2-CD1 4.16Å; I234-Y262 HydrophobicContact CG2-CD2 3.73Å; I234-Y262 HydrophobicContact CG2-CE1 3.82Å; I234-Y262 HydrophobicContact CG2-CE2 3.37Å; I234-Y262 HydrophobicContact CG2-CG 4.11Å; I234-Y262 VanDerWaalsContact CG2-CZ 3.43Å
235D97.8Very high97Very high46 Ų4658.6 Ų58.625%0.24630%0.296CS..Hα-helixtrans-70.1-32.5177-76.2-42.2000112.5N231 E232 K238 V239 Y262N231-D235 PolarHBondContact O-N 3.48Å; E232-D235 PolarHBondContact O-N 3.03Å; D235-K238 WeakPolarHBondContact O-CB 3.14Å; D235-K238 PolarHBondContact O-N 2.95Å; D235-K238 WeakPolarHBondContact OD1-CD 3.33Å; D235-K238 IonicContact OD1-NZ 3.68Å; D235-V239 WeakPolarHBondContact O-CG2 3.34Å; D235-V239 PolarHBondContact O-N 2.65Å; D235-Y262 PolarHBondContact OD1-OH 3.31Å
236K97Very high97.1Very high108 Ų10853.8 Ų53.847%0.4727%0.265SS..Hα-helixtrans-58.1-49.5168.6-178.1-174175.4-170.70111Y191 E232 K238 V239 S240Y191-K236 HydrophobicContact CE1-CD 4.46Å; E232-K236 WeakPolarHBondContact O-CB 3.34Å; E232-K236 PolarHBondContact O-N 3.07Å; K236-K238 VanDerWaalsContact C-N 3.33Å; K236-K238 PolarHBondContact O-N 2.88Å; K236-V239 PolarHBondContact O-N 2.68Å; K236-S240 PolarHBondContact O-N 3.15Å; K236-S240 VanDerWaalsContact O-N 3.07Å; K236-S240 PolarHBondContact O-OG 2.99Å
237A96.3Very high97.2Very high0 Ų049.8 Ų49.80%025%0.25CC..Hα-helixtrans-60.3-43.2177.100000111.6Y191 F233 I234 S240 N241 C242 V244Y191-A237 HydrophobicContact CD1-CB 3.8Å; Y191-A237 HydrophobicContact CD2-CB 3.93Å; Y191-A237 HydrophobicContact CE1-CB 4.15Å; Y191-A237 HydrophobicContact CE2-CB 4.28Å; Y191-A237 HydrophobicContact CG-CB 3.69Å; F233-A237 PolarHBondContact O-N 3.31Å; I234-A237 PolarHBondContact O-N 3.33Å; A237-S240 CarbonylContact O-C 3.54Å; A237-S240 PolarHBondContact O-N 2.82Å; A237-N241 PolarHBondContact O-N 3.06Å; A237-C242 HydrophobicContact CB-CB 4.43Å; A237-C242 WeakPolarHBondContact O-CA 3.29Å; A237-C242 WeakPolarHBondContact O-CB 3.44Å; A237-C242 PolarHBondContact O-N 2.67Å; A237-V244 HydrophobicContact CB-CB 3.98Å; A237-V244 HydrophobicContact CB-CG1 4.18Å
238K96.8Very high97.2Very high86 Ų8649.8 Ų49.837%0.37425%0.25SC..Hα-helixtrans-57.7-48.6175.9-174.2-169.4-178.9-175.90112.7I234 D235 K236 S240 N241I234-K238 WeakPolarHBondContact O-CB 3.32Å; I234-K238 PolarHBondContact O-N 2.91Å; D235-K238 WeakPolarHBondContact O-CB 3.14Å; D235-K238 PolarHBondContact O-N 2.95Å; D235-K238 WeakPolarHBondContact OD1-CD 3.33Å; D235-K238 IonicContact OD1-NZ 3.68Å; K236-K238 VanDerWaalsContact C-N 3.33Å; K236-K238 PolarHBondContact O-N 2.88Å; K238-S240 VanDerWaalsContact C-N 3.31Å; K238-S240 PolarHBondContact O-N 3.1Å; K238-N241 PolarHBondContact O-N 2.85Å
239V97.1Very high97.3Very high122 Ų12250.9 Ų50.974%0.73926%0.255SS*.Hα-helixtrans-65.7-34.2179.3171.20000111.4D235 K236 N241D235-V239 WeakPolarHBondContact O-CG2 3.34Å; D235-V239 PolarHBondContact O-N 2.65Å; K236-V239 PolarHBondContact O-N 2.68Å; V239-N241 PolarHBondContact O-N 3.44Å
240S95.4Very high97.1Very high61 Ų6147.6 Ų47.643%0.42725%0.251SS..THydrogen-bonded Turntrans-76.813.7171.1-56.80000114.4K236 A237 K238 C242K236-S240 PolarHBondContact O-N 3.15Å; K236-S240 VanDerWaalsContact O-N 3.07Å; K236-S240 PolarHBondContact O-OG 2.99Å; A237-S240 CarbonylContact O-C 3.54Å; A237-S240 PolarHBondContact O-N 2.82Å; K238-S240 VanDerWaalsContact C-N 3.31Å; K238-S240 PolarHBondContact O-N 3.1Å; S240-C242 PolarHBondContact O-N 2.78Å; S240-C242 PolarHBondContact O-SG 2.95Å
241N95.4Very high97.1Very high159 Ų15947.6 Ų47.685%0.8525%0.251SS*.THydrogen-bonded Turntrans50.824.3-174.2-70.5-52.1000114.4A237 K238 V239A237-N241 PolarHBondContact O-N 3.06Å; K238-N241 PolarHBondContact O-N 2.85Å; V239-N241 PolarHBondContact O-N 3.44Å
242C96.8Very high97.1Very high30 Ų3050.7 Ų50.720%0.20327%0.266CS..  trans-96.1165.4-177.4-76.20000111.6T190 Y191 A237 S240T190-C242 WeakPolarHBondContact OG1-CB 3.46Å; T190-C242 PolarHBondContact OG1-SG 2.84Å; Y191-C242 HydrophobicContact CD2-CB 3.69Å; Y191-C242 HydrophobicContact CE2-CB 3.65Å; A237-C242 HydrophobicContact CB-CB 4.43Å; A237-C242 WeakPolarHBondContact O-CA 3.29Å; A237-C242 WeakPolarHBondContact O-CB 3.44Å; A237-C242 PolarHBondContact O-N 2.67Å; S240-C242 PolarHBondContact O-N 2.78Å; S240-C242 PolarHBondContact O-SG 2.95Å
243R97.8Very high97.1Very high101 Ų10145.4 Ų45.438%0.38124%0.242SC..EExtended strand (participates in β ladder)trans-112.1129.6177.3-57.6170.8-175.8174.16109.9H169 Y171 N187 G188 I189 T190 Y191H169-R243 CarbonylContact O-C 3.53Å; H169-R243 WeakPolarHBondContact O-CA 3.21Å; Y171-R243 HydrophobicContact CD2-CB 4.46Å; Y171-R243 HydrophobicContact CE2-CB 4.26Å; Y171-R243 HydrophobicContact CE2-CG 4.41Å; N187-R243 WeakPolarHBondContact O-CD 3.24Å; N187-R243 PolarHBondContact O-NH1 3Å; G188-R243 WeakPolarHBondContact O-CB 3.17Å; I189-R243 HydrophobicContact CG1-CB 4.49Å; T190-R243 PolarHBondContact N-O 3.12Å; Y191-R243 PolarHBondContact N-O 2.89Å; Y191-R243 VanDerWaalsContact N-O 3.11Å
244V98.5Very high97.1Very high0 Ų045.1 Ų45.10%024%0.241CC..EExtended strand (participates in β ladder)trans-107.8137177.858.10000111H169 L170 Y171 Y191 L193 F233 I234 A237H169-V244 WeakPolarHBondContact O-CG1 3.5Å; H169-V244 PolarHBondContact O-N 2.97Å; L170-V244 HydrophobicContact CD1-CG1 4.02Å; Y171-V244 PolarHBondContact N-O 2.96Å; Y191-V244 WeakPolarHBondContact O-CA 3.43Å; L193-V244 HydrophobicContact CB-CG2 4.32Å; F233-V244 HydrophobicContact CD1-CG2 4.33Å; F233-V244 HydrophobicContact CE1-CG2 3.92Å; I234-V244 HydrophobicContact CB-CG1 4.24Å; I234-V244 HydrophobicContact CG1-CG1 4.08Å; I234-V244 HydrophobicContact CG2-CG1 3.88Å; A237-V244 HydrophobicContact CB-CB 3.98Å; A237-V244 HydrophobicContact CB-CG1 4.18Å
245I98.5Very high97.1Very high0 Ų045.1 Ų45.10%024%0.241CC..EExtended strand (participates in β ladder)trans-103.6124.3166.2-173.5161.9000110.8P163 Y171 D177 V178 M184 I189 Y191 V192 L193P163-I245 HydrophobicContact CB-CD1 3.39Å; P163-I245 HydrophobicContact CB-CG1 4.41Å; P163-I245 HydrophobicContact CG-CD1 3.89Å; Y171-I245 WeakPolarHBondContact O-CA 3.24Å; D177-I245 HydrophobicContact CB-CD1 4.48Å; V178-I245 HydrophobicContact CG2-CB 4.48Å; V178-I245 HydrophobicContact CG2-CD1 3.57Å; V178-I245 HydrophobicContact CG2-CG1 3.94Å; V178-I245 HydrophobicContact CG2-CG2 3.71Å; M184-I245 HydrophobicContact CE-CG2 3.93Å; M184-I245 HydrophobicContact SD-CD1 4.36Å; M184-I245 HydrophobicContact SD-CG2 4Å; I189-I245 HydrophobicContact CD1-CB 4.33Å; I189-I245 HydrophobicContact CD1-CD1 4.29Å; I189-I245 HydrophobicContact CG2-CB 3.77Å; I189-I245 HydrophobicContact CG2-CG2 3.53Å; Y191-I245 PolarHBondContact O-N 2.85Å; V192-I245 HydrophobicContact CB-CG2 4.34Å; V192-I245 HydrophobicContact CG1-CG2 4.43Å; V192-I245 HydrophobicContact CG2-CG2 3.78Å; L193-I245 PolarHBondContact N-O 3.05Å
246V98.6Very high97.2Very high0 Ų042.9 Ų42.90%023%0.229CC..EExtended strand (participates in β ladder)trans-96118.3171.2-1740000107.7L170 Y171 L172 G173 L193 I234 I258L170-V246 HydrophobicContact CD1-CG2 3.54Å; Y171-V246 PolarHBondContact O-N 3.03Å; L172-V246 WeakPolarHBondContact CA-O 3.31Å; G173-V246 PolarHBondContact N-O 3.14Å; L193-V246 HydrophobicContact CB-CB 4.48Å; L193-V246 HydrophobicContact CB-CG1 4.46Å; L193-V246 HydrophobicContact CB-CG2 4.1Å; L193-V246 HydrophobicContact CD1-CG1 4.42Å; L193-V246 HydrophobicContact CD1-CG2 4.04Å; L193-V246 HydrophobicContact CD2-CG1 4.43Å; L193-V246 WeakPolarHBondContact O-CA 3.23Å; I234-V246 HydrophobicContact CD1-CG2 3.95Å; I234-V246 HydrophobicContact CG1-CG2 4.28Å; V246-I258 HydrophobicContact CG1-CB 3.9Å; V246-I258 HydrophobicContact CG1-CD1 4.26Å; V246-I258 HydrophobicContact CG1-CG2 3.84Å
247H98.5Very high97.2Very high1 Ų137.9 Ų37.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-136.3158-174.988105.9000113.5G173 V178 L193 N194 A195G173-H247 VanDerWaalsContact O-CA 3.27Å; G173-H247 WeakPolarHBondContact O-CA 3.39Å; G173-H247 WeakPolarHBondContact O-CB 3.5Å; V178-H247 HydrophobicContact CG2-CB 3.72Å; L193-H247 PolarHBondContact O-CD2 3.09Å; L193-H247 PolarHBondContact O-N 3.18Å; N194-H247 VanDerWaalsContact CB-NE2 3.27Å; N194-H247 WeakPolarHBondContact CB-NE2 3.21Å; N194-H247 PolarHBondContact ND2-NE2 2.57Å; A195-H247 WeakPolarHBondContact CB-O 3.29Å; A195-H247 PolarHBondContact N-O 3.19Å
248C97.6Very high97.4Very high1 Ų137.9 Ų37.91%0.00721%0.207CC..  trans-133.3-157.6163.374.60000107.7S174 Q175 A195 G251 R254 S255S174-C248 CarbonylContact C-O 3.32Å; S174-C248 VanDerWaalsContact C-O 3.3Å; S174-C248 WeakPolarHBondContact CA-O 3.37Å; Q175-C248 PolarHBondContact N-O 2.83Å; A195-C248 HydrophobicContact CB-CB 4.35Å; A195-C248 WeakPolarHBondContact O-CB 3.11Å; C248-G251 PolarHBondContact SG-N 3.46Å; C248-G251 VanDerWaalsContact SG-N 3.41Å; C248-R254 HydrophobicContact CB-CB 4.05Å; C248-S255 PolarHBondContact N-OG 2.95Å; C248-S255 PolarHBondContact SG-OG 3.34Å
249L96.1Very high97.5Very high92 Ų9233.8 Ų33.848%0.48219%0.189SC..SBendtrans-58.8-49.9177.4-177.260.7000112.4Q175Q175-L249 HydrophobicContact CB-CD1 4.43Å; Q175-L249 PolarHBondContact N-O 3.06Å; Q175-L249 VanDerWaalsContact N-O 3.09Å
250A93.8Very high97.5Very high51 Ų5128 Ų2842%0.42115%0.154SC..SBendtrans-113.7-15.2-171.400000115.2S174 I252S174-A250 VanDerWaalsContact CB-C 3.49Å; S174-A250 WeakPolarHBondContact CB-O 3.5Å; A250-I252 HydrophobicContact CB-CB 4.44Å; A250-I252 HydrophobicContact CB-CD1 3.92Å; A250-I252 HydrophobicContact CB-CG1 4.04Å
251G96.4Very high97.7Very high0 Ų025 Ų250%013%0.134CC..SBendtrans6741.6-174.700000113.6G173 C248 R282G173-G251 WeakPolarHBondContact O-CA 3.44Å; C248-G251 PolarHBondContact SG-N 3.46Å; C248-G251 VanDerWaalsContact SG-N 3.41Å; G251-R282 PolarHBondContact O-NE 3.2Å
252I96.9Very high97.8Very high65 Ų6517.5 Ų17.533%0.3339%0.093SC..SBendtrans-123.2-49-174.4-66.7178.5000111.8A250 A256 I285 S286A250-I252 HydrophobicContact CB-CB 4.44Å; A250-I252 HydrophobicContact CB-CD1 3.92Å; A250-I252 HydrophobicContact CB-CG1 4.04Å; I252-A256 WeakPolarHBondContact O-CB 3.46Å; I252-I285 WeakPolarHBondContact O-CA 3.4Å; I252-S286 CarbonylContact O-C 3.51Å; I252-S286 PolarHBondContact O-N 3.27Å
253S97.9Very high97.9Very high7 Ų716 Ų165%0.0498%0.084CC..SBendtrans-113.7-94.6-172.1171.40000111.8D217 S255 A256 T257 N288 F291D217-S253 WeakPolarHBondContact OD1-CB 3.4Å; D217-S253 PolarHBondContact OD1-OG 2.82Å; S253-S255 PolarHBondContact O-N 3.29Å; S253-S255 VanDerWaalsContact O-N 3.09Å; S253-A256 WeakPolarHBondContact O-CA 3.47Å; S253-A256 VanDerWaalsContact O-CB 3.32Å; S253-A256 WeakPolarHBondContact O-CB 3.32Å; S253-A256 PolarHBondContact O-N 3.08Å; S253-T257 PolarHBondContact O-N 3.17Å; S253-T257 PolarHBondContact O-OG1 3.49Å; S253-N288 PolarHBondContact OG-N 2.93Å; S253-F291 WeakPolarHBondContact OG-CD2 3.46Å
254R98.4Very high97.9Very high17 Ų1711.4 Ų11.46%0.0647%0.066CC..Hα-helixtrans-37.8-54.7-176.5-76.7168-77.1174.8-1.9116.3A195 V215 N216 D217 C248 T257 I258 F291A195-R254 HydrophobicContact CB-CB 4.08Å; A195-R254 WeakPolarHBondContact O-CD 3.28Å; A195-R254 PolarHBondContact O-NH1 2.83Å; V215-R254 HydrophobicContact CG2-CG 4.17Å; V215-R254 WeakPolarHBondContact O-CD 3.49Å; V215-R254 PolarHBondContact O-NH1 3.11Å; N216-R254 WeakPolarHBondContact O-CD 3.43Å; D217-R254 IonicContact OD1-NE 2.73Å; D217-R254 IonicContact OD2-CZ 3.97Å; D217-R254 IonicContact OD2-NE 2.84Å; D217-R254 PolarHBondContact OD2-NE 3.16Å; D217-R254 IonicContact OD2-NH2 3.21Å; D217-R254 PolarHBondContact OD2-NH2 3.17Å; C248-R254 HydrophobicContact CB-CB 4.05Å; R254-T257 WeakPolarHBondContact O-CB 3.36Å; R254-T257 PolarHBondContact O-N 2.83Å; R254-I258 PolarHBondContact O-N 3.41Å; R254-F291 HydrophobicContact CG-CE2 3.66Å; R254-F291 HydrophobicContact CG-CZ 3.88Å
255S98.4Very high97.8Very high0 Ų015.1 Ų15.10%08%0.082CC..Hα-helixtrans-72.4-29.4-17949.30000113.7C248 S253 I258 A259C248-S255 PolarHBondContact N-OG 2.95Å; C248-S255 PolarHBondContact SG-OG 3.34Å; S253-S255 PolarHBondContact O-N 3.29Å; S253-S255 VanDerWaalsContact O-N 3.09Å; S255-I258 PolarHBondContact O-N 3.21Å; S255-A259 PolarHBondContact O-N 2.7Å
256A98.5Very high97.7Very high0 Ų017.5 Ų17.50%010%0.097CC..Hα-helixtrans-66.8-40.6171.900000110.4L172 I252 S253 I258 A259 I260 I285 P287L172-A256 HydrophobicContact CD1-CB 4.5Å; L172-A256 HydrophobicContact CD2-CB 4.07Å; I252-A256 WeakPolarHBondContact O-CB 3.46Å; S253-A256 WeakPolarHBondContact O-CA 3.47Å; S253-A256 VanDerWaalsContact O-CB 3.32Å; S253-A256 WeakPolarHBondContact O-CB 3.32Å; S253-A256 PolarHBondContact O-N 3.08Å; A256-I258 PolarHBondContact O-N 3.3Å; A256-A259 PolarHBondContact O-N 3.03Å; A256-I260 WeakPolarHBondContact O-CD1 3.41Å; A256-I260 WeakPolarHBondContact O-CG1 3.16Å; A256-I260 PolarHBondContact O-N 2.91Å; A256-I285 HydrophobicContact CB-CB 3.87Å; A256-I285 HydrophobicContact CB-CD1 4.48Å; A256-I285 HydrophobicContact CB-CG2 3.61Å; A256-P287 HydrophobicContact CB-CG 4.39Å
257T98.6Very high97.6Very high2 Ų221.6 Ų21.61%0.01212%0.117CC..Hα-helixtrans-57.1-46.3174.1-43.90000112L223 S253 R254 I260 A261 F291 L295L223-T257 HydrophobicContact CD2-CG2 3.8Å; S253-T257 PolarHBondContact O-N 3.17Å; S253-T257 PolarHBondContact O-OG1 3.49Å; R254-T257 WeakPolarHBondContact O-CB 3.36Å; R254-T257 PolarHBondContact O-N 2.83Å; T257-I260 PolarHBondContact O-N 3.37Å; T257-A261 WeakPolarHBondContact O-CB 3.4Å; T257-A261 PolarHBondContact O-N 2.92Å; T257-F291 HydrophobicContact CG2-CB 3.81Å; T257-F291 WeakPolarHBondContact OG1-CB 3.4Å; T257-L295 HydrophobicContact CG2-CD1 3.89Å; T257-L295 HydrophobicContact CG2-CD2 3.86Å; T257-L295 HydrophobicContact CG2-CG 3.74Å
258I98.7Very high97.4Very high0 Ų024.1 Ų24.10%014%0.143CC..Hα-helixtrans-62.5-44.3176.9-62.9169.7000110.7L193 A195 L223 L227 T230 I234 V246 R254 S255 A256 I260 A261 Y262L193-I258 HydrophobicContact CD1-CG2 4.22Å; L193-I258 HydrophobicContact CD2-CD1 4.04Å; A195-I258 HydrophobicContact CB-CD1 3.61Å; L223-I258 HydrophobicContact CD1-CD1 4.21Å; L223-I258 HydrophobicContact CD1-CG1 4.12Å; L223-I258 HydrophobicContact CD2-CG1 4.09Å; L223-I258 HydrophobicContact CG-CG1 4.48Å; L227-I258 HydrophobicContact CD2-CG1 4.42Å; T230-I258 HydrophobicContact CG2-CD1 4.23Å; T230-I258 HydrophobicContact CG2-CG2 4.27Å; I234-I258 HydrophobicContact CD1-CG2 4.32Å; V246-I258 HydrophobicContact CG1-CB 3.9Å; V246-I258 HydrophobicContact CG1-CD1 4.26Å; V246-I258 HydrophobicContact CG1-CG2 3.84Å; R254-I258 PolarHBondContact O-N 3.41Å; S255-I258 PolarHBondContact O-N 3.21Å; A256-I258 PolarHBondContact O-N 3.3Å; I258-I260 VanDerWaalsContact C-N 3.34Å; I258-I260 PolarHBondContact O-N 3.02Å; I258-A261 PolarHBondContact O-N 3.36Å; I258-Y262 PolarHBondContact O-N 2.94Å
259A98.7Very high97.4Very high0 Ų026.6 Ų26.60%016%0.156CC..Hα-helixtrans-61.5-40.4177.100000112.2L172 S255 A256 Y262 I263 V278L172-A259 HydrophobicContact CD2-CB 4.33Å; S255-A259 PolarHBondContact O-N 2.7Å; A256-A259 PolarHBondContact O-N 3.03Å; A259-Y262 PolarHBondContact O-N 3.07Å; A259-I263 WeakPolarHBondContact O-CG1 3.26Å; A259-I263 PolarHBondContact O-N 3.23Å; A259-V278 HydrophobicContact CB-CG1 4.48Å
260I98.7Very high97.5Very high0 Ų023.6 Ų23.60%014%0.143CC..Hα-helixtrans-65.4-46.4175.8-64.3156.9000110.7A256 T257 I258 Y262 I263 M264 A274 Y275 V278 I285 P287 L295A256-I260 WeakPolarHBondContact O-CD1 3.41Å; A256-I260 WeakPolarHBondContact O-CG1 3.16Å; A256-I260 PolarHBondContact O-N 2.91Å; T257-I260 PolarHBondContact O-N 3.37Å; I258-I260 VanDerWaalsContact C-N 3.34Å; I258-I260 PolarHBondContact O-N 3.02Å; I260-Y262 VanDerWaalsContact C-N 3.3Å; I260-Y262 PolarHBondContact O-N 3.1Å; I260-I263 PolarHBondContact O-N 2.83Å; I260-I263 VanDerWaalsContact O-N 3.12Å; I260-M264 HydrophobicContact CG2-CG 4.45Å; I260-M264 HydrophobicContact CG2-SD 4.05Å; I260-M264 WeakPolarHBondContact O-CG 3.46Å; I260-M264 PolarHBondContact O-N 3.46Å; I260-A274 HydrophobicContact CG2-CB 3.81Å; I260-Y275 HydrophobicContact CD1-CD2 3.78Å; I260-V278 HydrophobicContact CG1-CB 4Å; I260-V278 HydrophobicContact CG1-CG1 4.43Å; I260-V278 HydrophobicContact CG1-CG2 3.86Å; I260-I285 HydrophobicContact CD1-CD1 4.28Å; I260-P287 HydrophobicContact CD1-CG 4Å; I260-L295 HydrophobicContact CB-CD1 4.09Å; I260-L295 HydrophobicContact CD1-CD1 4.26Å; I260-L295 HydrophobicContact CG2-CD1 3.7Å; I260-L295 HydrophobicContact CG2-CD2 4.25Å
261A98.4Very high97.6Very high0 Ų022 Ų220%013%0.128CC..Hα-helixtrans-58.7-40.4176.900000112.5L227 T257 I258 M264 K265 L295 F298L227-A261 HydrophobicContact CD1-CB 3.88Å; L227-A261 HydrophobicContact CD2-CB 3.76Å; L227-A261 HydrophobicContact CG-CB 4.27Å; T257-A261 WeakPolarHBondContact O-CB 3.4Å; T257-A261 PolarHBondContact O-N 2.92Å; I258-A261 PolarHBondContact O-N 3.36Å; A261-M264 PolarHBondContact O-N 3.44Å; A261-K265 PolarHBondContact O-N 3.05Å; A261-L295 HydrophobicContact CB-CD2 3.79Å; A261-F298 HydrophobicContact CB-CD1 4.08Å; A261-F298 HydrophobicContact CB-CE1 3.93Å; A261-F298 WeakPolarHBondContact O-CE1 3.45Å
262Y98.6Very high97.7Very high0 Ų025.9 Ų25.90%015%0.149CC..Hα-helixtrans-62.8-46.1173.7-175.2-96.2000111.5L167 H169 L170 N231 I234 D235 I258 A259 I260 M264 K265 T266L167-Y262 HydrophobicContact CD1-CD1 4.24Å; L167-Y262 HydrophobicContact CD1-CE1 3.8Å; H169-Y262 AromaticContact NE2-CE1 3.57Å; H169-Y262 AromaticContact NE2-CZ 3.57Å; H169-Y262 PolarHBondContact NE2-OH 3.49Å; L170-Y262 HydrophobicContact CD2-CD1 3.57Å; L170-Y262 HydrophobicContact CD2-CE1 4.16Å; L170-Y262 HydrophobicContact CD2-CG 4.28Å; N231-Y262 HydrophobicContact CB-CD2 4.11Å; N231-Y262 WeakPolarHBondContact OD1-CA 3.46Å; N231-Y262 WeakPolarHBondContact OD1-CB 3.39Å; N231-Y262 WeakPolarHBondContact OD1-CD2 3.38Å; I234-Y262 HydrophobicContact CB-CD2 3.88Å; I234-Y262 HydrophobicContact CB-CE2 3.72Å; I234-Y262 HydrophobicContact CD1-CD2 3.85Å; I234-Y262 HydrophobicContact CD1-CG 3.98Å; I234-Y262 HydrophobicContact CG1-CD2 4.49Å; I234-Y262 HydrophobicContact CG2-CD1 4.16Å; I234-Y262 HydrophobicContact CG2-CD2 3.73Å; I234-Y262 HydrophobicContact CG2-CE1 3.82Å; I234-Y262 HydrophobicContact CG2-CE2 3.37Å; I234-Y262 HydrophobicContact CG2-CG 4.11Å; I234-Y262 VanDerWaalsContact CG2-CZ 3.43Å; D235-Y262 PolarHBondContact OD1-OH 3.31Å; I258-Y262 PolarHBondContact O-N 2.94Å; A259-Y262 PolarHBondContact O-N 3.07Å; I260-Y262 VanDerWaalsContact C-N 3.3Å; I260-Y262 PolarHBondContact O-N 3.1Å; Y262-M264 VanDerWaalsContact C-N 3.33Å; Y262-M264 PolarHBondContact O-N 2.8Å; Y262-K265 PolarHBondContact O-N 3.32Å; Y262-T266 HydrophobicContact CE1-CG2 4.19Å; Y262-T266 WeakPolarHBondContact CE1-OG1 3.47Å; Y262-T266 VanDerWaalsContact CE2-OG1 3.32Å; Y262-T266 WeakPolarHBondContact CE2-OG1 3.27Å; Y262-T266 WeakPolarHBondContact O-CB 3.47Å; Y262-T266 PolarHBondContact O-N 3.39Å; Y262-T266 PolarHBondContact O-OG1 2.93Å; Y262-T266 VanDerWaalsContact O-OG1 3.07Å
263I98.5Very high97.7Very high0 Ų025.7 Ų25.70%015%0.149CC..Hα-helixtrans-59.1-42.3175.7-67.2-63.2000111.9I166 L167 A259 I260 M267 L269 A274 F277 V278I166-I263 HydrophobicContact CG2-CD1 4.06Å; I166-I263 HydrophobicContact CG2-CG1 4.22Å; L167-I263 HydrophobicContact CD1-CD1 3.72Å; L167-I263 HydrophobicContact CD2-CD1 3.92Å; L167-I263 HydrophobicContact CG-CD1 3.83Å; A259-I263 WeakPolarHBondContact O-CG1 3.26Å; A259-I263 PolarHBondContact O-N 3.23Å; I260-I263 PolarHBondContact O-N 2.83Å; I260-I263 VanDerWaalsContact O-N 3.12Å; I263-M267 HydrophobicContact CD1-SD 3.87Å; I263-M267 HydrophobicContact CG2-SD 4.07Å; I263-M267 VanDerWaalsContact O-CB 3.31Å; I263-M267 WeakPolarHBondContact O-CB 3.32Å; I263-M267 PolarHBondContact O-N 3.04Å; I263-L269 HydrophobicContact CG2-CD1 3.85Å; I263-A274 HydrophobicContact CB-CB 4.18Å; I263-A274 HydrophobicContact CG2-CB 3.7Å; I263-F277 HydrophobicContact CD1-CD1 3.93Å; I263-F277 HydrophobicContact CD1-CE1 3.54Å; I263-F277 HydrophobicContact CD1-CZ 4.31Å; I263-F277 HydrophobicContact CG1-CD1 4.03Å; I263-F277 HydrophobicContact CG1-CE1 4.15Å; I263-F277 HydrophobicContact CG2-CD1 4.05Å; I263-F277 HydrophobicContact CG2-CG 4.31Å; I263-V278 HydrophobicContact CG1-CG2 4.04Å
264M98.2Very high97.8Very high3 Ų325.3 Ų25.32%0.01515%0.146CC..Hα-helixtrans-59.3-50174.4-64.4163.26100111.7I260 A261 Y262 G268 A274 L295 F298 E299 L302I260-M264 HydrophobicContact CG2-CG 4.45Å; I260-M264 HydrophobicContact CG2-SD 4.05Å; I260-M264 WeakPolarHBondContact O-CG 3.46Å; I260-M264 PolarHBondContact O-N 3.46Å; A261-M264 PolarHBondContact O-N 3.44Å; Y262-M264 VanDerWaalsContact C-N 3.33Å; Y262-M264 PolarHBondContact O-N 2.8Å; M264-G268 VanDerWaalsContact O-CA 3.31Å; M264-G268 WeakPolarHBondContact O-CA 3.37Å; M264-G268 PolarHBondContact O-N 2.87Å; M264-A274 HydrophobicContact CB-CB 4.5Å; M264-A274 HydrophobicContact CG-CB 3.41Å; M264-A274 VanDerWaalsContact CG-CB 3.41Å; M264-L295 WeakPolarHBondContact CE-O 3.38Å; M264-L295 HydrophobicContact SD-CB 4.39Å; M264-L295 HydrophobicContact SD-CD2 3.87Å; M264-F298 HydrophobicContact CE-CD1 4.02Å; M264-F298 HydrophobicContact SD-CD1 4.48Å; M264-E299 HydrophobicContact CE-CB 3.53Å; M264-E299 HydrophobicContact CE-CG 3.86Å; M264-L302 HydrophobicContact CB-CD1 4.07Å
265K96.6Very high97.8Very high78 Ų7827.1 Ų27.134%0.33915%0.154SC..Hα-helixtrans-68.3-41.4-177.4-171.8173.2-177.1175.10112.7D228 N231 A261 Y262 F298 L302D228-K265 IonicContact OD1-NZ 2.67Å; D228-K265 PolarHBondContact OD1-NZ 2.81Å; N231-K265 HydrophobicContact CB-CD 4.07Å; N231-K265 WeakPolarHBondContact ND2-CD 3.48Å; A261-K265 PolarHBondContact O-N 3.05Å; Y262-K265 PolarHBondContact O-N 3.32Å; K265-F298 HydrophobicContact CB-CE1 4.36Å; K265-F298 HydrophobicContact CB-CZ 4.35Å; K265-F298 HydrophobicContact CD-CZ 4.35Å; K265-L302 HydrophobicContact CB-CD1 4.28Å; K265-L302 HydrophobicContact CB-CD2 4.28Å; K265-L302 HydrophobicContact CD-CD2 4.41Å; K265-L302 HydrophobicContact CG-CD2 3.99Å
266T96Very high97.7Very high50 Ų5032.1 Ų32.131%0.30717%0.172SC..Hα-helixtrans-87-25.8-173.3-50.60000113.8Y262Y262-T266 HydrophobicContact CE1-CG2 4.19Å; Y262-T266 WeakPolarHBondContact CE1-OG1 3.47Å; Y262-T266 VanDerWaalsContact CE2-OG1 3.32Å; Y262-T266 WeakPolarHBondContact CE2-OG1 3.27Å; Y262-T266 WeakPolarHBondContact O-CB 3.47Å; Y262-T266 PolarHBondContact O-N 3.39Å; Y262-T266 PolarHBondContact O-OG1 2.93Å; Y262-T266 VanDerWaalsContact O-OG1 3.07Å
267M95.7Very high97.7Very high87 Ų8733.8 Ų33.843%0.42918%0.18SC..Hα-helixtrans-112.6-2.7-179.2-59.9179.559.600113.9L167 I263 L269 F277L167-M267 HydrophobicContact CD2-SD 4.32Å; I263-M267 HydrophobicContact CD1-SD 3.87Å; I263-M267 HydrophobicContact CG2-SD 4.07Å; I263-M267 VanDerWaalsContact O-CB 3.31Å; I263-M267 WeakPolarHBondContact O-CB 3.32Å; I263-M267 PolarHBondContact O-N 3.04Å; M267-L269 HydrophobicContact CB-CD1 4.28Å; M267-L269 HydrophobicContact CB-CG 3.96Å; M267-L269 HydrophobicContact CE-CD1 4.16Å; M267-L269 PolarHBondContact O-N 2.94Å; M267-F277 HydrophobicContact CE-CD2 4.48Å; M267-F277 HydrophobicContact CE-CE2 3.9Å; M267-F277 HydrophobicContact CE-CZ 4.27Å; M267-F277 HydrophobicContact SD-CE1 4.49Å; M267-F277 HydrophobicContact SD-CE2 4.2Å; M267-F277 HydrophobicContact SD-CZ 4.03Å
268G95.3Very high97.7Very high53 Ų5333.7 Ų33.755%0.54618%0.179SC..  trans67.814.2-178.900000114.5M264M264-G268 VanDerWaalsContact O-CA 3.31Å; M264-G268 WeakPolarHBondContact O-CA 3.37Å; M264-G268 PolarHBondContact O-N 2.87Å
269L97Very high97.6Very high54 Ų5436.6 Ų36.628%0.28319%0.192SC..  trans-74.3151-177.7-67.8-176.9000112I263 M267 D273 A274I263-L269 HydrophobicContact CG2-CD1 3.85Å; M267-L269 HydrophobicContact CB-CD1 4.28Å; M267-L269 HydrophobicContact CB-CG 3.96Å; M267-L269 HydrophobicContact CE-CD1 4.16Å; M267-L269 PolarHBondContact O-N 2.94Å; L269-D273 HydrophobicContact CB-CB 4.18Å; L269-D273 HydrophobicContact CD2-CB 4.35Å; L269-A274 HydrophobicContact CB-CB 4.19Å
270S97.8Very high97.5Very high29 Ų2942.4 Ų42.420%0.20322%0.223CC..  trans-62.4161169.781.50000111.2D272 D273 A274 E299S270-D272 PolarHBondContact O-N 2.93Å; S270-D272 PolarHBondContact OG-N 2.86Å; S270-D273 WeakPolarHBondContact CB-OD2 3.48Å; S270-D273 PolarHBondContact O-N 2.87Å; S270-D273 WeakPolarHBondContact OG-CB 3.3Å; S270-D273 PolarHBondContact OG-N 3.5Å; S270-D273 PolarHBondContact OG-OD2 3.09Å; S270-A274 WeakPolarHBondContact O-CB 3.4Å; S270-A274 PolarHBondContact O-N 3.11Å; S270-E299 WeakPolarHBondContact CA-OE1 3.46Å; S270-E299 VanDerWaalsContact CB-OE1 3.29Å; S270-E299 WeakPolarHBondContact CB-OE1 3.07Å
271S97.3Very high97.3Very high16 Ų1647.2 Ų47.211%0.11224%0.241CC..Hα-helixtrans-58.8-31.9176.757.80000113.2Y275 L296 E299S271-Y275 VanDerWaalsContact O-CB 3.25Å; S271-Y275 WeakPolarHBondContact O-CB 3.31Å; S271-Y275 PolarHBondContact O-N 3.18Å; S271-L296 VanDerWaalsContact OG-CD2 3.31Å; S271-L296 WeakPolarHBondContact OG-CD2 3.5Å; S271-E299 PolarHBondContact N-OE1 2.93Å; S271-E299 PolarHBondContact OG-OE1 2.8Å
272D97.3Very high97.2Very high82 Ų8247.4 Ų47.444%0.43924%0.242SC..Hα-helixtrans-82.5-39.5177.7-171.556.4000112.5S270 Y275 R276S270-D272 PolarHBondContact O-N 2.93Å; S270-D272 PolarHBondContact OG-N 2.86Å; D272-Y275 PolarHBondContact O-N 3.15Å; D272-R276 WeakPolarHBondContact O-CB 3.41Å; D272-R276 WeakPolarHBondContact O-CG 3.33Å; D272-R276 PolarHBondContact O-N 3.19Å; D272-R276 IonicContact OD1-NE 3.94Å; D272-R276 IonicContact OD2-CZ 3.16Å; D272-R276 IonicContact OD2-NE 2.82Å; D272-R276 PolarHBondContact OD2-NE 3.4Å; D272-R276 IonicContact OD2-NH2 2.7Å; D272-R276 PolarHBondContact OD2-NH2 3.46Å
273D98.1Very high97Very high61 Ų6151.6 Ų51.633%0.32627%0.269SS..Hα-helixtrans-64.7-40.7173.7-63.7-56.3000111.4L269 S270 R276 F277L269-D273 HydrophobicContact CB-CB 4.18Å; L269-D273 HydrophobicContact CD2-CB 4.35Å; S270-D273 WeakPolarHBondContact CB-OD2 3.48Å; S270-D273 PolarHBondContact O-N 2.87Å; S270-D273 WeakPolarHBondContact OG-CB 3.3Å; S270-D273 PolarHBondContact OG-N 3.5Å; S270-D273 PolarHBondContact OG-OD2 3.09Å; D273-R276 PolarHBondContact O-N 3.5Å; D273-R276 IonicContact OD1-CZ 3.16Å; D273-R276 IonicContact OD1-NH1 2.73Å; D273-R276 PolarHBondContact OD1-NH1 3.29Å; D273-R276 IonicContact OD1-NH2 2.75Å; D273-R276 PolarHBondContact OD1-NH2 3.23Å; D273-F277 VanDerWaalsContact O-CB 3.32Å; D273-F277 WeakPolarHBondContact O-CB 3.46Å; D273-F277 PolarHBondContact O-N 3.48Å
274A98.3Very high96.8Very high0 Ų053.7 Ų53.70%028%0.284CS..Hα-helixtrans-68.5-37.8174.600000112.1I260 I263 M264 L269 S270 V278I260-A274 HydrophobicContact CG2-CB 3.81Å; I263-A274 HydrophobicContact CB-CB 4.18Å; I263-A274 HydrophobicContact CG2-CB 3.7Å; M264-A274 HydrophobicContact CB-CB 4.5Å; M264-A274 HydrophobicContact CG-CB 3.41Å; M264-A274 VanDerWaalsContact CG-CB 3.41Å; L269-A274 HydrophobicContact CB-CB 4.19Å; S270-A274 WeakPolarHBondContact O-CB 3.4Å; S270-A274 PolarHBondContact O-N 3.11Å; A274-V278 WeakPolarHBondContact O-CG2 3.38Å; A274-V278 PolarHBondContact O-N 3.08Å
275Y98.4Very high96.8Very high55 Ų5553.6 Ų53.622%0.21628%0.283CS..Hα-helixtrans-60-50.6171.2172.5-105000110.9I260 S271 D272 F277 V278 K279 I285 P287I260-Y275 HydrophobicContact CD1-CD2 3.78Å; S271-Y275 VanDerWaalsContact O-CB 3.25Å; S271-Y275 WeakPolarHBondContact O-CB 3.31Å; S271-Y275 PolarHBondContact O-N 3.18Å; D272-Y275 PolarHBondContact O-N 3.15Å; Y275-F277 PolarHBondContact O-N 3.33Å; Y275-V278 PolarHBondContact O-N 3.36Å; Y275-K279 HydrophobicContact CE1-CB 4.49Å; Y275-K279 HydrophobicContact CE1-CG 4.45Å; Y275-K279 WeakPolarHBondContact O-CB 3.5Å; Y275-K279 PolarHBondContact O-N 2.85Å; Y275-I285 HydrophobicContact CD2-CD1 4.11Å; Y275-I285 HydrophobicContact CE2-CD1 3.86Å; Y275-I285 HydrophobicContact CE2-CG1 4.17Å; Y275-P287 HydrophobicContact CE2-CG 4.37Å
276R97.9Very high96.8Very high104 Ų10453.5 Ų53.539%0.39229%0.292SS..Hα-helixtrans-58-48.1176.9-74.4-176.3-91.1103.8-3.4111.6D272 D273 V278 K279 D280D272-R276 WeakPolarHBondContact O-CB 3.41Å; D272-R276 WeakPolarHBondContact O-CG 3.33Å; D272-R276 PolarHBondContact O-N 3.19Å; D272-R276 IonicContact OD1-NE 3.94Å; D272-R276 IonicContact OD2-CZ 3.16Å; D272-R276 IonicContact OD2-NE 2.82Å; D272-R276 PolarHBondContact OD2-NE 3.4Å; D272-R276 IonicContact OD2-NH2 2.7Å; D272-R276 PolarHBondContact OD2-NH2 3.46Å; D273-R276 PolarHBondContact O-N 3.5Å; D273-R276 IonicContact OD1-CZ 3.16Å; D273-R276 IonicContact OD1-NH1 2.73Å; D273-R276 PolarHBondContact OD1-NH1 3.29Å; D273-R276 IonicContact OD1-NH2 2.75Å; D273-R276 PolarHBondContact OD1-NH2 3.23Å; R276-V278 VanDerWaalsContact C-N 3.3Å; R276-V278 PolarHBondContact O-N 2.89Å; R276-K279 WeakPolarHBondContact O-CA 3.25Å; R276-K279 WeakPolarHBondContact O-CB 3.32Å; R276-K279 PolarHBondContact O-N 3.16Å; R276-D280 PolarHBondContact O-N 3.13Å
277F98.1Very high96.9Very high35 Ų3551.5 Ų51.515%0.15428%0.28CS..Hα-helixtrans-53.6-40.5177.2-177.9-82.9000114I166 L167 I263 M267 D273 Y275 R281I166-F277 HydrophobicContact CG2-CD1 4.44Å; I166-F277 HydrophobicContact CG2-CE1 4.02Å; L167-F277 HydrophobicContact CD2-CE1 4.11Å; L167-F277 HydrophobicContact CD2-CZ 3.89Å; I263-F277 HydrophobicContact CD1-CD1 3.93Å; I263-F277 HydrophobicContact CD1-CE1 3.54Å; I263-F277 HydrophobicContact CD1-CZ 4.31Å; I263-F277 HydrophobicContact CG1-CD1 4.03Å; I263-F277 HydrophobicContact CG1-CE1 4.15Å; I263-F277 HydrophobicContact CG2-CD1 4.05Å; I263-F277 HydrophobicContact CG2-CG 4.31Å; M267-F277 HydrophobicContact CE-CD2 4.48Å; M267-F277 HydrophobicContact CE-CE2 3.9Å; M267-F277 HydrophobicContact CE-CZ 4.27Å; M267-F277 HydrophobicContact SD-CE1 4.49Å; M267-F277 HydrophobicContact SD-CE2 4.2Å; M267-F277 HydrophobicContact SD-CZ 4.03Å; D273-F277 VanDerWaalsContact O-CB 3.32Å; D273-F277 WeakPolarHBondContact O-CB 3.46Å; D273-F277 PolarHBondContact O-N 3.48Å; Y275-F277 PolarHBondContact O-N 3.33Å; F277-R281 VanDerWaalsContact CE2-NH2 3.33Å; F277-R281 VanDerWaalsContact CZ-NH2 3.31Å; F277-R281 WeakPolarHBondContact O-CD 3.05Å; F277-R281 PolarHBondContact O-NH1 3.31Å
278V98.1Very high96.8Very high0 Ų048.4 Ų48.40%027%0.265CS..Hα-helixtrans-81.2-33.8176.8-174.60000111.1I166 L172 A259 I260 I263 A274 Y275 R276 R281 R282 I285I166-V278 HydrophobicContact CD1-CG1 3.96Å; I166-V278 HydrophobicContact CG2-CG2 4.16Å; L172-V278 HydrophobicContact CD2-CG1 3.64Å; A259-V278 HydrophobicContact CB-CG1 4.48Å; I260-V278 HydrophobicContact CG1-CB 4Å; I260-V278 HydrophobicContact CG1-CG1 4.43Å; I260-V278 HydrophobicContact CG1-CG2 3.86Å; I263-V278 HydrophobicContact CG1-CG2 4.04Å; A274-V278 WeakPolarHBondContact O-CG2 3.38Å; A274-V278 PolarHBondContact O-N 3.08Å; Y275-V278 PolarHBondContact O-N 3.36Å; R276-V278 VanDerWaalsContact C-N 3.3Å; R276-V278 PolarHBondContact O-N 2.89Å; V278-R281 PolarHBondContact O-N 3.07Å; V278-R282 PolarHBondContact O-N 2.95Å; V278-I285 HydrophobicContact CB-CD1 4.03Å; V278-I285 HydrophobicContact CG1-CD1 3.89Å
279K97.1Very high96.8Very high62 Ų6253.8 Ų53.827%0.2727%0.274SS..Hα-helixtrans-62.7-44.1177.7-175.364.3166.7178.50112.5Y275 R276 R281 R282 P283 I285Y275-K279 HydrophobicContact CE1-CB 4.49Å; Y275-K279 HydrophobicContact CE1-CG 4.45Å; Y275-K279 WeakPolarHBondContact O-CB 3.5Å; Y275-K279 PolarHBondContact O-N 2.85Å; R276-K279 WeakPolarHBondContact O-CA 3.25Å; R276-K279 WeakPolarHBondContact O-CB 3.32Å; R276-K279 PolarHBondContact O-N 3.16Å; K279-R281 PolarHBondContact O-N 3.18Å; K279-R282 CarbonylContact O-C 3.52Å; K279-R282 PolarHBondContact O-N 3.2Å; K279-P283 WeakPolarHBondContact CE-O 3.45Å; K279-P283 PolarHBondContact NZ-O 2.73Å; K279-P283 VanDerWaalsContact O-CA 3.24Å; K279-P283 WeakPolarHBondContact O-CA 3.44Å; K279-I285 HydrophobicContact CB-CD1 4.03Å; K279-I285 HydrophobicContact CB-CG1 4.24Å; K279-I285 HydrophobicContact CD-CD1 4.28Å; K279-I285 HydrophobicContact CD-CG1 3.58Å; K279-I285 PolarHBondContact NZ-O 3.16Å
280D96.1Very high96.8Very high121 Ų12153 Ų5365%0.64727%0.27SS*.Hα-helixtrans-62.8-34179.9-59.4-25.6000111.7R276R276-D280 PolarHBondContact O-N 3.13Å
281R95.5Very high96.8Very high101 Ų10151.6 Ų51.638%0.38126%0.26SS..Hα-helixtrans-80.6-37.2177.8-66.3169.7173.560.28.5112.4T164 I166 F277 V278 K279T164-R281 HydrophobicContact CG2-CB 3.84Å; T164-R281 WeakPolarHBondContact CG2-O 3.33Å; I166-R281 HydrophobicContact CD1-CB 4Å; I166-R281 PolarHBondContact O-NE 3.4Å; F277-R281 VanDerWaalsContact CE2-NH2 3.33Å; F277-R281 VanDerWaalsContact CZ-NH2 3.31Å; F277-R281 WeakPolarHBondContact O-CD 3.05Å; F277-R281 PolarHBondContact O-NH1 3.31Å; V278-R281 PolarHBondContact O-N 3.07Å; K279-R281 PolarHBondContact O-N 3.18Å
282R95.6Very high96.8Very high5 Ų553.3 Ų53.32%0.01927%0.268CS..  trans-130.282.6177.9-166.7172.8-177.289-5.3110.4G162 T164 L172 G251 V278 K279 S284 I285G162-R282 PolarHBondContact O-NH1 2.85Å; T164-R282 HydrophobicContact CG2-CB 4.03Å; T164-R282 WeakPolarHBondContact OG1-CD 3.47Å; T164-R282 WeakPolarHBondContact OG1-CG 3.38Å; T164-R282 PolarHBondContact OG1-NH1 3.26Å; L172-R282 PolarHBondContact O-NH1 2.95Å; G251-R282 PolarHBondContact O-NE 3.2Å; V278-R282 PolarHBondContact O-N 2.95Å; K279-R282 CarbonylContact O-C 3.52Å; K279-R282 PolarHBondContact O-N 3.2Å; R282-S284 PolarHBondContact O-N 2.83Å; R282-I285 HydrophobicContact CB-CG2 3.98Å; R282-I285 HydrophobicContact CG-CG2 3.97Å; R282-I285 WeakPolarHBondContact O-CG2 3.48Å; R282-I285 PolarHBondContact O-N 2.67Å
283P94.8Very high96.7Very high87 Ų8751.1 Ų51.157%0.56527%0.265SS*.THydrogen-bonded Turntrans-56.3-21.4-176.2-30.137.3000114.9K279 I285K279-P283 WeakPolarHBondContact CE-O 3.45Å; K279-P283 PolarHBondContact NZ-O 2.73Å; K279-P283 VanDerWaalsContact O-CA 3.24Å; K279-P283 WeakPolarHBondContact O-CA 3.44Å; P283-I285 VanDerWaalsContact C-N 3.31Å; P283-I285 PolarHBondContact O-N 2.75Å
284S94.5Very high96.7Very high45 Ų4549 Ų4932%0.31525%0.253SS..THydrogen-bonded Turntrans-75.2-4.7176.669.50000115.5N160 R282N160-S284 PolarHBondContact ND2-OG 2.97Å; R282-S284 PolarHBondContact O-N 2.83Å
285I97.7Very high96.7Very high0 Ų049.1 Ų49.10%025%0.254CS..  trans-67.7142.9177.769.4170.6000111.5L172 I252 A256 I260 Y275 V278 K279 R282 P283L172-I285 HydrophobicContact CD2-CG2 3.89Å; I252-I285 WeakPolarHBondContact O-CA 3.4Å; A256-I285 HydrophobicContact CB-CB 3.87Å; A256-I285 HydrophobicContact CB-CD1 4.48Å; A256-I285 HydrophobicContact CB-CG2 3.61Å; I260-I285 HydrophobicContact CD1-CD1 4.28Å; Y275-I285 HydrophobicContact CD2-CD1 4.11Å; Y275-I285 HydrophobicContact CE2-CD1 3.86Å; Y275-I285 HydrophobicContact CE2-CG1 4.17Å; V278-I285 HydrophobicContact CB-CD1 4.03Å; V278-I285 HydrophobicContact CG1-CD1 3.89Å; K279-I285 HydrophobicContact CB-CD1 4.03Å; K279-I285 HydrophobicContact CB-CG1 4.24Å; K279-I285 HydrophobicContact CD-CD1 4.28Å; K279-I285 HydrophobicContact CD-CG1 3.58Å; K279-I285 PolarHBondContact NZ-O 3.16Å; R282-I285 HydrophobicContact CB-CG2 3.98Å; R282-I285 HydrophobicContact CG-CG2 3.97Å; R282-I285 WeakPolarHBondContact O-CG2 3.48Å; R282-I285 PolarHBondContact O-N 2.67Å; P283-I285 VanDerWaalsContact C-N 3.31Å; P283-I285 PolarHBondContact O-N 2.75Å
286S96.9Very high96.7Very high76 Ų7650.6 Ų50.653%0.53127%0.265SS..  trans-159.379.2175.5-174.60000108.7I252I252-S286 CarbonylContact O-C 3.51Å; I252-S286 PolarHBondContact O-N 3.27Å
287P97Very high96.6Very high8 Ų851 Ų515%0.05227%0.271CS..  trans-56.5142.2171.3-22.134.2000111.8A256 I260 Y275 F291 L292A256-P287 HydrophobicContact CB-CG 4.39Å; I260-P287 HydrophobicContact CD1-CG 4Å; Y275-P287 HydrophobicContact CE2-CG 4.37Å; P287-F291 HydrophobicContact CB-CB 4.48Å; P287-L292 HydrophobicContact CB-CD2 3.78Å; P287-L292 HydrophobicContact CB-CG 4.1Å; P287-L292 HydrophobicContact CG-CD2 4.05Å
288N94.8Very high96.6Very high23 Ų2349.9 Ų49.912%0.12327%0.266CS..  trans-59.5142.8170.7-175.7-53.6000110.3Y219 S253 N290 F291 L292Y219-N288 WeakPolarHBondContact CD1-ND2 3.48Å; Y219-N288 WeakPolarHBondContact CD1-OD1 3.35Å; Y219-N288 VanDerWaalsContact CE1-ND2 3.27Å; Y219-N288 WeakPolarHBondContact CE1-ND2 3.36Å; Y219-N288 VanDerWaalsContact CE1-OD1 3.24Å; Y219-N288 WeakPolarHBondContact CE1-OD1 3.12Å; S253-N288 PolarHBondContact OG-N 2.93Å; N288-N290 PolarHBondContact O-N 2.93Å; N288-N290 VanDerWaalsContact O-N 3.11Å; N288-N290 WeakPolarHBondContact OD1-CB 3.27Å; N288-N290 PolarHBondContact OD1-N 3.43Å; N288-F291 HydrophobicContact CB-CD2 3.88Å; N288-F291 HydrophobicContact CB-CE2 4.33Å; N288-F291 WeakPolarHBondContact O-CA 3.35Å; N288-F291 WeakPolarHBondContact O-CB 3.34Å; N288-F291 PolarHBondContact O-N 3.19Å; N288-L292 PolarHBondContact O-N 2.85Å
289F94.5Very high96.6Very high165 Ų16550.9 Ų50.972%0.72427%0.271SS*.Hα-helixtrans-50.6-34.4176.6-66.5-66.4000114.2F291 L292 G293F289-F291 VanDerWaalsContact C-N 3.32Å; F289-F291 PolarHBondContact O-N 2.73Å; F289-L292 HydrophobicContact CD1-CD1 4.12Å; F289-L292 PolarHBondContact O-N 2.86Å; F289-G293 PolarHBondContact O-N 2.87Å
290N96.7Very high96.5Very high37 Ų3754.8 Ų54.820%0.19829%0.288CS..Hα-helixtrans-56.7-44.7171.417037.3000112.1N218 Y219 E221 N288 G293 Q294N218-N290 PolarHBondContact O-ND2 2.88Å; Y219-N290 VanDerWaalsContact C-ND2 3.34Å; Y219-N290 WeakPolarHBondContact O-CB 3.43Å; Y219-N290 PolarHBondContact O-ND2 2.73Å; E221-N290 PolarHBondContact N-ND2 2.9Å; E221-N290 PolarHBondContact O-ND2 2.83Å; N288-N290 PolarHBondContact O-N 2.93Å; N288-N290 VanDerWaalsContact O-N 3.11Å; N288-N290 WeakPolarHBondContact OD1-CB 3.27Å; N288-N290 PolarHBondContact OD1-N 3.43Å; N290-G293 PolarHBondContact O-N 3.29Å; N290-Q294 PolarHBondContact ND2-NE2 3.12Å; N290-Q294 WeakPolarHBondContact O-CG 3.32Å; N290-Q294 PolarHBondContact O-N 2.98Å; N290-Q294 PolarHBondContact OD1-NE2 2.98Å
291F97.6Very high96.5Very high0 Ų051 Ų510%028%0.277CS..Hα-helixtrans-73.7-32.3177.5-63.3-37.6000112.9E221 L223 S253 R254 T257 P287 N288 F289 Q294 L295E221-F291 HydrophobicContact CB-CE1 4.1Å; E221-F291 HydrophobicContact CB-CZ 4.09Å; E221-F291 HydrophobicContact CG-CE1 4.5Å; E221-F291 HydrophobicContact CG-CZ 4.44Å; L223-F291 HydrophobicContact CB-CD1 3.99Å; L223-F291 HydrophobicContact CB-CE1 3.9Å; L223-F291 HydrophobicContact CD2-CD1 4.27Å; L223-F291 HydrophobicContact CD2-CE1 4.44Å; S253-F291 WeakPolarHBondContact OG-CD2 3.46Å; R254-F291 HydrophobicContact CG-CE2 3.66Å; R254-F291 HydrophobicContact CG-CZ 3.88Å; T257-F291 HydrophobicContact CG2-CB 3.81Å; T257-F291 WeakPolarHBondContact OG1-CB 3.4Å; P287-F291 HydrophobicContact CB-CB 4.48Å; N288-F291 HydrophobicContact CB-CD2 3.88Å; N288-F291 HydrophobicContact CB-CE2 4.33Å; N288-F291 WeakPolarHBondContact O-CA 3.35Å; N288-F291 WeakPolarHBondContact O-CB 3.34Å; N288-F291 PolarHBondContact O-N 3.19Å; F289-F291 VanDerWaalsContact C-N 3.32Å; F289-F291 PolarHBondContact O-N 2.73Å; F291-Q294 PolarHBondContact O-N 3.42Å; F291-L295 WeakPolarHBondContact O-CG 3.42Å; F291-L295 PolarHBondContact O-N 3.32Å
292L97.1Very high96.5Very high52 Ų5247.4 Ų47.427%0.27227%0.265SS..Hα-helixtrans-65.2-40.2171.1-62.7176.9000111.5P287 N288 F289 L295 L296P287-L292 HydrophobicContact CB-CD2 3.78Å; P287-L292 HydrophobicContact CB-CG 4.1Å; P287-L292 HydrophobicContact CG-CD2 4.05Å; N288-L292 PolarHBondContact O-N 2.85Å; F289-L292 HydrophobicContact CD1-CD1 4.12Å; F289-L292 PolarHBondContact O-N 2.86Å; L292-L295 HydrophobicContact CD2-CD1 4.29Å; L292-L295 WeakPolarHBondContact O-CB 3.49Å; L292-L295 PolarHBondContact O-N 2.92Å; L292-L296 PolarHBondContact O-N 3.19Å; L292-L296 VanDerWaalsContact O-N 3.11Å
293G96.9Very high96.4Very high37 Ų3753 Ų5338%0.38129%0.287SS..Hα-helixtrans-60.7-42.4171.900000112.7F289 N290 L295 L296 E297F289-G293 PolarHBondContact O-N 2.87Å; N290-G293 PolarHBondContact O-N 3.29Å; G293-L295 VanDerWaalsContact C-N 3.32Å; G293-L295 PolarHBondContact O-N 3.49Å; G293-L296 WeakPolarHBondContact O-CB 3.46Å; G293-L296 PolarHBondContact O-N 3.46Å; G293-E297 PolarHBondContact O-N 2.79Å
294Q97.8Very high96.3Very high15 Ų1554.2 Ų54.27%0.0729%0.288CS..Hα-helixtrans-67.1-28.7174.9-73.6174.256.100113.4E221 L224 N290 F291 E297 F298E221-Q294 PolarHBondContact O-NE2 2.9Å; L224-Q294 HydrophobicContact CB-CB 4.24Å; L224-Q294 HydrophobicContact CB-CG 4.25Å; N290-Q294 PolarHBondContact ND2-NE2 3.12Å; N290-Q294 WeakPolarHBondContact O-CG 3.32Å; N290-Q294 PolarHBondContact O-N 2.98Å; N290-Q294 PolarHBondContact OD1-NE2 2.98Å; F291-Q294 PolarHBondContact O-N 3.42Å; Q294-E297 PolarHBondContact O-N 3.33Å; Q294-F298 WeakPolarHBondContact O-CB 3.21Å; Q294-F298 PolarHBondContact O-N 2.85Å
295L97.9Very high96.1Very high3 Ų356.8 Ų56.82%0.01630%0.298CS..Hα-helixtrans-68.1-40.6169.8-71.5172.2000111.6T257 I260 A261 M264 F291 L292 G293 E297 F298 E299T257-L295 HydrophobicContact CG2-CD1 3.89Å; T257-L295 HydrophobicContact CG2-CD2 3.86Å; T257-L295 HydrophobicContact CG2-CG 3.74Å; I260-L295 HydrophobicContact CB-CD1 4.09Å; I260-L295 HydrophobicContact CD1-CD1 4.26Å; I260-L295 HydrophobicContact CG2-CD1 3.7Å; I260-L295 HydrophobicContact CG2-CD2 4.25Å; A261-L295 HydrophobicContact CB-CD2 3.79Å; M264-L295 WeakPolarHBondContact CE-O 3.38Å; M264-L295 HydrophobicContact SD-CB 4.39Å; M264-L295 HydrophobicContact SD-CD2 3.87Å; F291-L295 WeakPolarHBondContact O-CG 3.42Å; F291-L295 PolarHBondContact O-N 3.32Å; L292-L295 HydrophobicContact CD2-CD1 4.29Å; L292-L295 WeakPolarHBondContact O-CB 3.49Å; L292-L295 PolarHBondContact O-N 2.92Å; G293-L295 VanDerWaalsContact C-N 3.32Å; G293-L295 PolarHBondContact O-N 3.49Å; L295-E297 VanDerWaalsContact C-N 3.27Å; L295-E297 PolarHBondContact O-N 3.04Å; L295-F298 PolarHBondContact O-N 2.87Å; L295-E299 WeakPolarHBondContact O-CB 3.34Å; L295-E299 PolarHBondContact O-N 3.08Å
296L97.4Very high95.7Very high86 Ų8661.8 Ų61.845%0.4532%0.321SS..Hα-helixtrans-64.9-30.5173.6-70.6163.9000112.6S271 L292 G293 K300S271-L296 VanDerWaalsContact OG-CD2 3.31Å; S271-L296 WeakPolarHBondContact OG-CD2 3.5Å; L292-L296 PolarHBondContact O-N 3.19Å; L292-L296 VanDerWaalsContact O-N 3.11Å; G293-L296 WeakPolarHBondContact O-CB 3.46Å; G293-L296 PolarHBondContact O-N 3.46Å; L296-K300 WeakPolarHBondContact O-CG 3.22Å; L296-K300 PolarHBondContact O-N 3.46Å
297E97.3Very high95.4Very high113 Ų11360.4 Ų60.453%0.52831%0.314SS..Hα-helixtrans-72.2-45.1172.4-166.8172.9-171.200111.6L224 G293 Q294 L295 E299 K300 G301L224-E297 HydrophobicContact CD2-CB 4.12Å; L224-E297 HydrophobicContact CD2-CG 3.7Å; L224-E297 WeakPolarHBondContact CD2-OE2 3.31Å; G293-E297 PolarHBondContact O-N 2.79Å; Q294-E297 PolarHBondContact O-N 3.33Å; L295-E297 VanDerWaalsContact C-N 3.27Å; L295-E297 PolarHBondContact O-N 3.04Å; E297-E299 VanDerWaalsContact C-N 3.32Å; E297-E299 PolarHBondContact O-N 2.92Å; E297-K300 WeakPolarHBondContact O-CB 3.29Å; E297-K300 PolarHBondContact O-N 2.92Å; E297-G301 PolarHBondContact O-N 3.23Å; E297-G301 VanDerWaalsContact O-N 3.12Å
298F97.8Very high95Very high11 Ų1164.8 Ų64.85%0.04834%0.336CS..Hα-helixtrans-59-41.1173.6-173-119000112.3L224 L227 A261 M264 K265 Q294 L295 K300 G301 L302L224-F298 HydrophobicContact CD1-CB 3.72Å; L224-F298 HydrophobicContact CD1-CD2 3.96Å; L224-F298 HydrophobicContact CD1-CG 4.28Å; L227-F298 HydrophobicContact CB-CD2 4.22Å; L227-F298 HydrophobicContact CB-CE2 3.96Å; L227-F298 HydrophobicContact CB-CZ 4.27Å; L227-F298 HydrophobicContact CD1-CB 3.95Å; L227-F298 HydrophobicContact CD1-CD1 4.05Å; L227-F298 HydrophobicContact CD1-CD2 3.82Å; L227-F298 HydrophobicContact CD1-CE2 4.32Å; L227-F298 HydrophobicContact CD1-CG 3.67Å; A261-F298 HydrophobicContact CB-CD1 4.08Å; A261-F298 HydrophobicContact CB-CE1 3.93Å; A261-F298 WeakPolarHBondContact O-CE1 3.45Å; M264-F298 HydrophobicContact CE-CD1 4.02Å; M264-F298 HydrophobicContact SD-CD1 4.48Å; K265-F298 HydrophobicContact CB-CE1 4.36Å; K265-F298 HydrophobicContact CB-CZ 4.35Å; K265-F298 HydrophobicContact CD-CZ 4.35Å; Q294-F298 WeakPolarHBondContact O-CB 3.21Å; Q294-F298 PolarHBondContact O-N 2.85Å; L295-F298 PolarHBondContact O-N 2.87Å; F298-K300 VanDerWaalsContact C-N 3.32Å; F298-K300 PolarHBondContact O-N 3.43Å; F298-G301 PolarHBondContact O-N 2.91Å; F298-G301 VanDerWaalsContact O-N 3.13Å; F298-L302 HydrophobicContact CD1-CD1 3.97Å; F298-L302 HydrophobicContact CD1-CG 4.34Å; F298-L302 HydrophobicContact CE1-CD1 3.64Å; F298-L302 HydrophobicContact CE1-CD2 4.34Å; F298-L302 HydrophobicContact CE1-CG 4.07Å; F298-L302 HydrophobicContact CE2-CD2 4.42Å; F298-L302 HydrophobicContact CZ-CD1 4.16Å; F298-L302 HydrophobicContact CZ-CD2 4.01Å; F298-L302 HydrophobicContact CZ-CG 4.15Å; F298-L302 WeakPolarHBondContact O-CG 3.38Å; F298-L302 PolarHBondContact O-N 3.3Å
299E97.1Very high94.5Very high21 Ų2166.9 Ų66.910%0.09835%0.35CS..Hα-helixtrans-59.9-40177-161-164.2-138.500112.6M264 S270 S271 L295 E297 L302 R303M264-E299 HydrophobicContact CE-CB 3.53Å; M264-E299 HydrophobicContact CE-CG 3.86Å; S270-E299 WeakPolarHBondContact CA-OE1 3.46Å; S270-E299 VanDerWaalsContact CB-OE1 3.29Å; S270-E299 WeakPolarHBondContact CB-OE1 3.07Å; S271-E299 PolarHBondContact N-OE1 2.93Å; S271-E299 PolarHBondContact OG-OE1 2.8Å; L295-E299 WeakPolarHBondContact O-CB 3.34Å; L295-E299 PolarHBondContact O-N 3.08Å; E297-E299 VanDerWaalsContact C-N 3.32Å; E297-E299 PolarHBondContact O-N 2.92Å; E299-L302 PolarHBondContact O-N 3.11Å; E299-R303 VanDerWaalsContact CD-CZ 3.44Å; E299-R303 WeakPolarHBondContact O-CG 3.38Å; E299-R303 PolarHBondContact O-N 2.98Å; E299-R303 VanDerWaalsContact O-N 3.09Å; E299-R303 IonicContact OE1-CZ 3.75Å; E299-R303 IonicContact OE1-NH1 3.8Å; E299-R303 IonicContact OE1-NH2 2.94Å; E299-R303 PolarHBondContact OE1-NH2 2.89Å; E299-R303 IonicContact OE2-CZ 3.4Å; E299-R303 IonicContact OE2-NH1 2.69Å; E299-R303 PolarHBondContact OE2-NH1 3.45Å; E299-R303 IonicContact OE2-NH2 3.25Å; E299-R303 PolarHBondContact OE2-NH2 2.77Å
300K96.4Very high93.5Very high145 Ų14563.2 Ų63.263%0.6334%0.341SS*.Hα-helixtrans-65.8-41.9174.1-67.4166.5-173.7176.50111.3L296 E297 F298 R303 L304L296-K300 WeakPolarHBondContact O-CG 3.22Å; L296-K300 PolarHBondContact O-N 3.46Å; E297-K300 WeakPolarHBondContact O-CB 3.29Å; E297-K300 PolarHBondContact O-N 2.92Å; F298-K300 VanDerWaalsContact C-N 3.32Å; F298-K300 PolarHBondContact O-N 3.43Å; K300-R303 PolarHBondContact O-N 2.89Å; K300-L304 PolarHBondContact O-N 2.8Å
301G95.6Very high91.9Very high41 Ų4166.1 Ų66.142%0.42336%0.357SS..Hα-helixtrans-59.6-45.6174.700000112.6E297 F298 L304 L305E297-G301 PolarHBondContact O-N 3.23Å; E297-G301 VanDerWaalsContact O-N 3.12Å; F298-G301 PolarHBondContact O-N 2.91Å; F298-G301 VanDerWaalsContact O-N 3.13Å; G301-L304 PolarHBondContact O-N 3.12Å; G301-L305 WeakPolarHBondContact O-CB 3.49Å; G301-L305 PolarHBondContact O-N 3.23Å
302L94.3Very high90Very high25 Ų2571.6 Ų71.613%0.13139%0.386CS..Hα-helixtrans-60.8-44.5175.6-70.3179000112.2M264 K265 F298 E299 L305 Q306M264-L302 HydrophobicContact CB-CD1 4.07Å; K265-L302 HydrophobicContact CB-CD1 4.28Å; K265-L302 HydrophobicContact CB-CD2 4.28Å; K265-L302 HydrophobicContact CD-CD2 4.41Å; K265-L302 HydrophobicContact CG-CD2 3.99Å; F298-L302 HydrophobicContact CD1-CD1 3.97Å; F298-L302 HydrophobicContact CD1-CG 4.34Å; F298-L302 HydrophobicContact CE1-CD1 3.64Å; F298-L302 HydrophobicContact CE1-CD2 4.34Å; F298-L302 HydrophobicContact CE1-CG 4.07Å; F298-L302 HydrophobicContact CE2-CD2 4.42Å; F298-L302 HydrophobicContact CZ-CD1 4.16Å; F298-L302 HydrophobicContact CZ-CD2 4.01Å; F298-L302 HydrophobicContact CZ-CG 4.15Å; F298-L302 WeakPolarHBondContact O-CG 3.38Å; F298-L302 PolarHBondContact O-N 3.3Å; E299-L302 PolarHBondContact O-N 3.11Å; L302-L305 PolarHBondContact O-N 3.19Å; L302-Q306 WeakPolarHBondContact O-CB 3.17Å; L302-Q306 VanDerWaalsContact O-CG 3.28Å; L302-Q306 WeakPolarHBondContact O-CG 3.39Å; L302-Q306 PolarHBondContact O-N 3.04Å
303R93.7Very high88Confident124 Ų12475.8 Ų75.847%0.46840%0.402SS..Hα-helixtrans-64.5-38.8177.2-71.8-170.7-171.8102.45.8112.8E299 K300 Q306 A307E299-R303 VanDerWaalsContact CD-CZ 3.44Å; E299-R303 WeakPolarHBondContact O-CG 3.38Å; E299-R303 PolarHBondContact O-N 2.98Å; E299-R303 VanDerWaalsContact O-N 3.09Å; E299-R303 IonicContact OE1-CZ 3.75Å; E299-R303 IonicContact OE1-NH1 3.8Å; E299-R303 IonicContact OE1-NH2 2.94Å; E299-R303 PolarHBondContact OE1-NH2 2.89Å; E299-R303 IonicContact OE2-CZ 3.4Å; E299-R303 IonicContact OE2-NH1 2.69Å; E299-R303 PolarHBondContact OE2-NH1 3.45Å; E299-R303 IonicContact OE2-NH2 3.25Å; E299-R303 PolarHBondContact OE2-NH2 2.77Å; K300-R303 PolarHBondContact O-N 2.89Å; R303-Q306 PolarHBondContact O-N 3.46Å; R303-A307 PolarHBondContact O-N 3.21Å
304L93.4Very high85.8Confident112 Ų11281.4 Ų81.459%0.58642%0.416SS*.Hα-helixtrans-65.5-44175.8-179.560.9000111.4K300 G301 Q306 A307 L308K300-L304 PolarHBondContact O-N 2.8Å; G301-L304 PolarHBondContact O-N 3.12Å; L304-Q306 VanDerWaalsContact C-N 3.35Å; L304-Q306 PolarHBondContact O-N 2.78Å; L304-A307 PolarHBondContact O-N 2.97Å; L304-L308 HydrophobicContact CG-CD1 4.37Å; L304-L308 WeakPolarHBondContact O-CG 3.39Å; L304-L308 PolarHBondContact O-N 2.8Å; L304-L308 VanDerWaalsContact O-N 3.08Å
305L90.6Very high83.5Confident99 Ų9984.8 Ų84.852%0.51844%0.441SS..Hα-helixtrans-62.6-41.5176.4-175.761.9000111.7G301 L302 L308 T309G301-L305 WeakPolarHBondContact O-CB 3.49Å; G301-L305 PolarHBondContact O-N 3.23Å; L302-L305 PolarHBondContact O-N 3.19Å; L305-L308 PolarHBondContact O-N 3.34Å; L305-T309 WeakPolarHBondContact O-CG2 3.31Å; L305-T309 PolarHBondContact O-N 3.19Å; L305-T309 VanDerWaalsContact O-N 3.08Å; L305-T309 PolarHBondContact O-OG1 3.44Å
306Q89.3Confident81.1Confident105 Ų10591.4 Ų91.449%0.49147%0.472SS..Hα-helixtrans-57.6-49.5173.5-76.1169.5-11.400111.5L302 R303 L304 L308 T309 T310L302-Q306 WeakPolarHBondContact O-CB 3.17Å; L302-Q306 VanDerWaalsContact O-CG 3.28Å; L302-Q306 WeakPolarHBondContact O-CG 3.39Å; L302-Q306 PolarHBondContact O-N 3.04Å; R303-Q306 PolarHBondContact O-N 3.46Å; L304-Q306 VanDerWaalsContact C-N 3.35Å; L304-Q306 PolarHBondContact O-N 2.78Å; Q306-L308 PolarHBondContact O-N 3.16Å; Q306-T309 PolarHBondContact O-N 3.11Å; Q306-T309 PolarHBondContact O-OG1 3.07Å; Q306-T310 PolarHBondContact O-N 2.86Å; Q306-T310 VanDerWaalsContact O-N 3.17Å; Q306-T310 PolarHBondContact O-OG1 2.97Å
307A89.8Confident78.5Confident46 Ų4693.5 Ų93.538%0.3848%0.484SS..Hα-helixtrans-58-46.5179.600000112.5R303 L304 T309 T310 D311R303-A307 PolarHBondContact O-N 3.21Å; L304-A307 PolarHBondContact O-N 2.97Å; A307-T309 PolarHBondContact O-N 3.36Å; A307-T310 WeakPolarHBondContact CA-OG1 3.47Å; A307-T310 PolarHBondContact O-N 3.23Å; A307-T310 VanDerWaalsContact O-N 3.11Å; A307-T310 PolarHBondContact O-OG1 3.41Å; A307-D311 PolarHBondContact O-N 3.47Å
308L89.1Confident76Confident100 Ų10094.8 Ų94.852%0.52449%0.494SS..Hα-helixtrans-58-48.1175.9-66.9168.5000111.3L304 L305 Q306 T310 D311L304-L308 HydrophobicContact CG-CD1 4.37Å; L304-L308 WeakPolarHBondContact O-CG 3.39Å; L304-L308 PolarHBondContact O-N 2.8Å; L304-L308 VanDerWaalsContact O-N 3.08Å; L305-L308 PolarHBondContact O-N 3.34Å; Q306-L308 PolarHBondContact O-N 3.16Å; L308-T310 PolarHBondContact O-N 3.13Å; L308-T310 VanDerWaalsContact O-N 3.09Å; L308-D311 PolarHBondContact O-N 3.06Å; L308-D311 VanDerWaalsContact O-N 3.15Å
309T84.5Confident73.5Confident67 Ų6798.3 Ų98.341%0.41152%0.52SS..Hα-helixtrans-68-7.8178.861.90000115.2L305 Q306 A307L305-T309 WeakPolarHBondContact O-CG2 3.31Å; L305-T309 PolarHBondContact O-N 3.19Å; L305-T309 VanDerWaalsContact O-N 3.08Å; L305-T309 PolarHBondContact O-OG1 3.44Å; Q306-T309 PolarHBondContact O-N 3.11Å; Q306-T309 PolarHBondContact O-OG1 3.07Å; A307-T309 PolarHBondContact O-N 3.36Å
310T72.9Confident71Confident88 Ų88106 Ų10654%0.5455%0.553SS.*Hα-helixtrans-91.9-26.6171.8420000114Q306 A307 L308Q306-T310 PolarHBondContact O-N 2.86Å; Q306-T310 VanDerWaalsContact O-N 3.17Å; Q306-T310 PolarHBondContact O-OG1 2.97Å; A307-T310 WeakPolarHBondContact CA-OG1 3.47Å; A307-T310 PolarHBondContact O-N 3.23Å; A307-T310 VanDerWaalsContact O-N 3.11Å; A307-T310 PolarHBondContact O-OG1 3.41Å; L308-T310 PolarHBondContact O-N 3.13Å; L308-T310 VanDerWaalsContact O-N 3.09Å
311D63.3Low68.4Low99 Ų99107.7 Ų107.753%0.52956%0.564SS.*Hα-helixtrans-78.1-35.8179.3-77.5-36.5000112.5A307 L308 K313 K314 S315A307-D311 PolarHBondContact O-N 3.47Å; L308-D311 PolarHBondContact O-N 3.06Å; L308-D311 VanDerWaalsContact O-N 3.15Å; D311-K313 VanDerWaalsContact C-N 3.32Å; D311-K313 PolarHBondContact O-N 3.07Å; D311-K314 WeakPolarHBondContact O-CB 3.43Å; D311-K314 PolarHBondContact O-N 3.17Å; D311-S315 PolarHBondContact O-N 2.65Å
312D58.9Low65.6Low114 Ų114110.9 Ų110.961%0.6158%0.579SS**Hα-helixtrans-55.7-47173.6-68.9-38.5000111.4K314 S315 E316D312-K314 PolarHBondContact O-N 3.02Å; D312-S315 PolarHBondContact O-N 2.65Å; D312-S315 VanDerWaalsContact O-N 3.08Å; D312-E316 PolarHBondContact O-N 3.46Å
313K54.8Low63Low140 Ų140114.9 Ų114.961%0.60961%0.609SS**Hα-helixtrans-65.8-18.5178.1-66.7-177.9-179.4178.50113.7D311D311-K313 VanDerWaalsContact C-N 3.32Å; D311-K313 PolarHBondContact O-N 3.07Å
314K50.8Low60.1Low156 Ų156118.3 Ų118.368%0.67863%0.631SS**Hα-helixtrans-83-30.4175.4-157.6175.6-176.4-178.70111.5D311 D312D311-K314 WeakPolarHBondContact O-CB 3.43Å; D311-K314 PolarHBondContact O-N 3.17Å; D312-K314 PolarHBondContact O-N 3.02Å
315S48.2Very low57.4Low85 Ų85118.9 Ų118.959%0.59464%0.639SS**Hα-helixtrans-72.7-41.9175.4-610000112.4D311 D312 N317 N318D311-S315 PolarHBondContact O-N 2.65Å; D312-S315 PolarHBondContact O-N 2.65Å; D312-S315 VanDerWaalsContact O-N 3.08Å; S315-N317 VanDerWaalsContact C-N 3.33Å; S315-N317 PolarHBondContact O-N 3.4Å; S315-N318 PolarHBondContact O-N 3Å
316E47.2Very low54.8Low142 Ų142121.6 Ų121.666%0.66465%0.654SS**Hα-helixtrans-66-29.5179.3-70.1-163.912400114.3D312 S319D312-E316 PolarHBondContact O-N 3.46Å; E316-S319 PolarHBondContact O-OG 3.47Å; E316-S319 VanDerWaalsContact O-OG 3.14Å
317N43.9Very low51.8Low131 Ų131120.4 Ų120.470%0.70167%0.67SS**Hα-helixtrans-76.6-23.5175.6-83-16.9000112.8S315S315-N317 VanDerWaalsContact C-N 3.33Å; S315-N317 PolarHBondContact O-N 3.4Å
318N45Very low49.1Very low139 Ų139124.3 Ų124.374%0.74369%0.688SS**Hα-helixtrans-85.6-8.9-175.1-137.944.4000113.4S315S315-N318 PolarHBondContact O-N 3Å
319S44.6Very low46.3Very low86 Ų86124.7 Ų124.760%0.60170%0.7SS**THydrogen-bonded Turntrans-94.6-0.1-179.160.70000114.6E316E316-S319 PolarHBondContact O-OG 3.47Å; E316-S319 VanDerWaalsContact O-OG 3.14Å
320K45.6Very low43.7Very low182 Ų182126.6 Ų126.679%0.79172%0.722SS**SBendtrans-109.910.8-179.3-73.4-177.9177.1172.20114.7
321Q41.1Very low41.5Very low181 Ų181126.2 Ų126.285%0.84674%0.735SS**SBendtrans-134.549.1-177-156.1172.911.100113.2
322S36.9Very low39.8Very low107 Ų107130 Ų13075%0.74875%0.747SS**  trans-146.251.4173.870.80000113.3
323S38.7Very low38.4Very low109 Ų109131.1 Ų131.176%0.76275%0.749SS**  trans-152.155177.365.30000114.3
324E33.1Very low37.3Very low197 Ų197130.7 Ų130.792%0.92175%0.752SS**  trans-157.8130.8156-119.4165.3-159.600109.8
325V37Very low36.3Very low124 Ų124130.9 Ų130.975%0.75276%0.761SS**  trans-148.3136-168.3168.40000111.3
326N35.5Very low35.3Very low156 Ų156130.1 Ų130.183%0.83477%0.766SS**  trans73.4124170.1-65.9-20.6000119.2
327G28.1Very low34.5Very low80 Ų80131.5 Ų131.583%0.82577%0.772SS**  trans-159.925.1178.500000115.7
328V31.2Very low33.8Very low127 Ų127133.2 Ų133.277%0.7778%0.775SS**  trans25127.3157.8-173.30000121.6
329S31.2Very low33Very low109 Ų109132.8 Ų132.876%0.76278%0.778SS**  trans87.8112.7149-79.90000124
330A29Very low32.2Very low106 Ų106133.3 Ų133.388%0.87678%0.782SS**  65.7139.1118.100000122.7
331G27.5Very low31.3Very low80 Ų80130.5 Ų130.583%0.82578%0.784SS**  trans163.17216700000118.2
332F28.4Very low30.5Very low179 Ų179128.2 Ų128.279%0.78578%0.777SS**  trans16.3117.8152.9-112.6-122.8000123.2
333E29Very low30.2Very low137 Ų137128.1 Ų128.164%0.6478%0.777SS**  64.4136.8119.3-69-160.416800126.8
334I31.4Very low29.8Very low132 Ų132128.6 Ų128.668%0.67778%0.78SS**  trans91.7126.2136.9-78167.4000122.2
335N30Very low29.6Very low160 Ų160126 Ų12686%0.85678%0.777SS**  trans21.3141.4152.5-52.7-17000120.6
336G27.8Very low29.3Very low69 Ų69124.7 Ų124.771%0.71178%0.78SS**  cis140.5151.619.500000111.6
337H29.6Very low28.9Very low171 Ų171124.5 Ų124.579%0.79278%0.779SS**  trans65.1114.8163.6-81.7-94000123.4
338H29.8Very low29.6Very low166 Ų166125 Ų12577%0.76977%0.767SS**  50.1113.8127.6-76-118.4000122.4
339T28.1Very low29.5Very low131 Ų131127 Ų12780%0.80477%0.768SS**  172.1120.212336.80000106.9
340S27.4Very low29.3Very low96 Ų96126 Ų12667%0.67177%0.767SS**  79.7117.259.375.20000115
341C26.4Very low29.1Very low123 Ų123129.7 Ų129.783%0.83177%0.766SS**  trans61.7156.617384.70000116.5
342D25.3Very low29.1Very low134 Ų134132.2 Ų132.272%0.71777%0.765SS**  cis-153.9161.9-1.8-150.3-53.6000110.5
343S29.4Very low29.2Very low105 Ų105132 Ų13273%0.73477%0.766SS**  trans62.6147.9155.3-69.40000118.6
344S30.2Very low29.3Very low118 Ų118131.3 Ų131.383%0.82577%0.774SS**  cis-157.2159.531.750.80000114.8
345V29.3Very low29.1Very low143 Ų143134.3 Ų134.387%0.86778%0.782SS**  trans-35.8132.7169.2179.90000117
346A30.1Very low29.2Very low97 Ų97134.7 Ų134.780%0.80278%0.783SS**  -178.7136126.200000114.5
347D27Very low29.5Very low152 Ų152137.3 Ų137.381%0.81379%0.788SS**  trans-131.3162.5159-158.743.2000104.1
348P42.8Very low29.4Very low91 Ų91134 Ų13459%0.59178%0.784SS**  cis-143.1179.624.230.5-4.2000118.5
349H28.8Very low29.7Very low168 Ų168132.1 Ų132.178%0.77879%0.787SS**  trans123.195.9147-71.7-70.5000119
350A27.7Very low30.2Very low89 Ų89132 Ų13274%0.73679%0.786SS**  55.7118.5127.900000121.5
351Q24.7Very low30.5Very low183 Ų183133 Ų13386%0.85579%0.793SS**  -178160.498.5-96-173.97.800113.4
352T27Very low30.8Very low133 Ų133135.9 Ų135.982%0.81680%0.799SS**  trans83.9157.2160.5-21.60000119.6
353E31.4Very low31.5Very low173 Ų173138.9 Ų138.981%0.80881%0.809SS**  trans-71.9156.6-174-49.2179121.300115.7
354P30.5Very low31.9Very low124 Ų124143.3 Ų143.381%0.80582%0.818SS**  trans-106.8134.4154.835.3-26.6000113.2
355K27Very low32.3Very low194 Ų194140.9 Ų140.984%0.84381%0.812SS**PPolyproline II helixtrans-74.2164.1167.6-82.8173.3176.1166.70112.1
356L32.8Very low32.5Very low169 Ų169144.1 Ų144.189%0.88581%0.814SS**PPolyproline II helixtrans-51.8135.7172.5-95.966.9000112.7
357P34Very low32.9Very low123 Ų123148 Ų14880%0.79982%0.821SS**PPolyproline II helixtrans-79.3156.8168.233.4-34.6000112.3
358S27.7Very low33.5Very low103 Ų103144 Ų14472%0.7282%0.817SS**PPolyproline II helixtrans-84.9154.5173.846.20000112.6T360S358-T360 PolarHBondContact O-N 3.23Å
359P36.6Very low33Very low126 Ų126148 Ų14882%0.81883%0.832SS**  trans-92.398.7-165.934.7-35.1000114.1
360T38.4Very low33.5Very low128 Ų128148.6 Ų148.679%0.78584%0.835SS**  trans-142.753.4172.9-5.80000114.1S358S358-T360 PolarHBondContact O-N 3.23Å
361S32.6Very low34Very low118 Ų118150.6 Ų150.683%0.82583%0.833SS**  trans-165.373.4165.6-85.20000114.2
362L33Very low34.7Very low183 Ų183144.8 Ų144.896%0.95881%0.812SS**  trans-148.161162.4-85.5-172.3000111.7
363Q40.1Very low35.6Very low196 Ų196142 Ų14292%0.91680%0.803SS**  trans-129.746.4172.9-163.3161.5-1400113.3
364Q38.5Very low36.2Very low198 Ų198141 Ų14193%0.92580%0.798SS**  trans-136105.9159.6-86.4-180-23.600107.9
365G38.2Very low36.9Very low68 Ų68143.4 Ų143.470%0.70179%0.791SS**SBendtrans-180-11.9-17400000117.5
366F33.5Very low38Very low210 Ų210139.1 Ų139.192%0.92178%0.776SS**  trans-136.855.5-180-77-70.8000113.8
367N37.7Very low38.5Very low178 Ų178137.3 Ų137.395%0.95277%0.765SS**  trans-110.991.6161-82.9-18.5000108.3
368G40.5Very low38.9Very low70 Ų70136.4 Ų136.472%0.72275%0.753SS**  trans-171.75.8-170.700000119.4
369L33.2Very low39.6Very low173 Ų173135.2 Ų135.291%0.90674%0.742SS**  trans-137.896.5172.7-75.5178.6000111.4
370H39Very low39.8Very low181 Ų181133.5 Ų133.584%0.83873%0.726SS**  trans-90.3111.6175.8175.4-89.9000110.5
371L38.2Very low39.9Very low132 Ų132136.6 Ų136.669%0.69172%0.723SS**  trans-97.6129.7172.4-68.7173.6000109.9
372S38.2Very low40.2Very low60 Ų60137.1 Ų137.142%0.4272%0.716SS.*  trans-71.2147-174.353.10000113.6E374 R375S372-E374 PolarHBondContact O-N 3.32Å; S372-E374 VanDerWaalsContact O-N 3.14Å; S372-R375 PolarHBondContact O-N 3Å
373A45.5Very low40.6Very low75 Ų75136.5 Ų136.562%0.6271%0.706SS**THydrogen-bonded Turntrans-61.7-22.9-171.400000115.1R375 I376A373-R375 VanDerWaalsContact C-N 3.28Å; A373-R375 PolarHBondContact O-N 2.86Å; A373-I376 WeakPolarHBondContact O-CB 3.04Å; A373-I376 PolarHBondContact O-N 3.07Å
374E45.7Very low40.6Very low152 Ų152137.6 Ų137.671%0.7170%0.701SS**Hα-helixtrans-53.8-42.5177-91.4174.7138.500112.8S372 I376 M377S372-E374 PolarHBondContact O-N 3.32Å; S372-E374 VanDerWaalsContact O-N 3.14Å; E374-I376 PolarHBondContact O-N 3.02Å; E374-I376 VanDerWaalsContact O-N 3.11Å; E374-M377 PolarHBondContact O-N 3.4Å
375R45.1Very low40.7Very low174 Ų174131.8 Ų131.866%0.65768%0.682SS**Hα-helixtrans-71.5-9.2-174.7-146.5-177.7-62.8179.61.6113.7S372 A373S372-R375 PolarHBondContact O-N 3Å; A373-R375 VanDerWaalsContact C-N 3.28Å; A373-R375 PolarHBondContact O-N 2.86Å
376I48.5Very low40.6Very low104 Ų104137.4 Ų137.453%0.53369%0.688SS.*Hα-helixtrans-81.8-28.8177.8-60.3177.6000110.8A373 E374 T379 N380A373-I376 WeakPolarHBondContact O-CB 3.04Å; A373-I376 PolarHBondContact O-N 3.07Å; E374-I376 PolarHBondContact O-N 3.02Å; E374-I376 VanDerWaalsContact O-N 3.11Å; I376-T379 PolarHBondContact O-OG1 3.43Å; I376-N380 PolarHBondContact O-ND2 2.84Å
377M44.1Very low40.8Very low131 Ų131132 Ų13265%0.64568%0.676SS**Hα-helixtrans-70.7-40.7-175.8-65.9-164.8-72.900113E374 T379 N380 R381E374-M377 PolarHBondContact O-N 3.4Å; M377-T379 VanDerWaalsContact C-N 3.34Å; M377-T379 PolarHBondContact O-N 2.96Å; M377-N380 PolarHBondContact O-N 3Å; M377-N380 VanDerWaalsContact O-N 3.1Å; M377-R381 PolarHBondContact O-N 2.97Å
378D43.4Very low40.7Very low104 Ų104131.3 Ų131.356%0.55667%0.672SS**Hα-helixtrans-63.5-36.4179.2-79-41.1000113.3N380 R381 L382D378-N380 PolarHBondContact O-N 2.98Å; D378-R381 WeakPolarHBondContact O-CB 3.49Å; D378-R381 PolarHBondContact O-N 3.11Å; D378-R381 VanDerWaalsContact O-N 3.07Å; D378-L382 PolarHBondContact O-N 3.45Å
379T42.4Very low40.5Very low78 Ų78135.4 Ų135.448%0.47968%0.677SS.*Hα-helixtrans-64.2-25.3176.469.40000113.1I376 M377 K383I376-T379 PolarHBondContact O-OG1 3.43Å; M377-T379 VanDerWaalsContact C-N 3.34Å; M377-T379 PolarHBondContact O-N 2.96Å; T379-K383 WeakPolarHBondContact O-CG 3.36Å
380N39.7Very low40.6Very low90 Ų90134.9 Ų134.948%0.48167%0.673SS.*Hα-helixtrans-87.4-25.9174.5-72.2-72.9000112.2I376 M377 D378I376-N380 PolarHBondContact O-ND2 2.84Å; M377-N380 PolarHBondContact O-N 3Å; M377-N380 VanDerWaalsContact O-N 3.1Å; D378-N380 PolarHBondContact O-N 2.98Å
381R41.1Very low40.3Very low194 Ų194135.3 Ų135.373%0.73267%0.673SS**Hα-helixtrans-70.4-42172.8-161.5168.2-178.9-120.8-2.6111.5M377 D378 K383 R384M377-R381 PolarHBondContact O-N 2.97Å; D378-R381 WeakPolarHBondContact O-CB 3.49Å; D378-R381 PolarHBondContact O-N 3.11Å; D378-R381 VanDerWaalsContact O-N 3.07Å; R381-K383 VanDerWaalsContact C-N 3.32Å; R381-K383 PolarHBondContact O-N 2.85Å; R381-R384 PolarHBondContact O-N 3.24Å
382L38.1Very low40Very low129 Ų129134.4 Ų134.468%0.67568%0.678SS**Hα-helixtrans-68.9-27.1176.9-164.665.6000113.2D378 R384D378-L382 PolarHBondContact O-N 3.45Å; L382-R384 VanDerWaalsContact C-N 3.29Å; L382-R384 PolarHBondContact O-N 3.34Å
383K41.6Very low39.7Very low170 Ų170137.9 Ų137.974%0.73970%0.696SS**THydrogen-bonded Turntrans-76.4-7.3175.9-80.2-179.2177.3179.90114.9T379 R381T379-K383 WeakPolarHBondContact O-CG 3.36Å; R381-K383 VanDerWaalsContact C-N 3.32Å; R381-K383 PolarHBondContact O-N 2.85Å
384R40.3Very low39Very low218 Ų218145.1 Ų145.182%0.82371%0.709SS**THydrogen-bonded Turntrans-95.42175.7-78.8-177.8168156.7-2.2114.2R381 L382R381-R384 PolarHBondContact O-N 3.24Å; L382-R384 VanDerWaalsContact C-N 3.29Å; L382-R384 PolarHBondContact O-N 3.34Å
385S39.9Very low38.2Very low76 Ų76143 Ų14353%0.53171%0.711SS.*SBendtrans-87.1-6-174.9-560000115.6
386F36.7Very low37.6Very low186 Ų186140.7 Ų140.782%0.81672%0.719SS**  trans-13135-170.6-70.8-74.5000114.4
387S37.8Very low36.6Very low97 Ų97141.1 Ų141.168%0.67873%0.731SS**  trans-96.5112.7166.7-66.10000110.4
388L36.3Very low36Very low163 Ų163139.9 Ų139.985%0.85374%0.735SS**  trans-91.296.5170.5-70174.9000109.9I390L388-I390 PolarHBondContact O-N 3.3Å
389D36Very low36.1Very low157 Ų157140.7 Ų140.784%0.8475%0.746SS**  trans-72.395.9175.2-80.8-28.7000111.3K391D389-K391 PolarHBondContact O-N 3.02Å; D389-K391 VanDerWaalsContact O-N 3.17Å
390I35.4Very low35.4Very low161 Ų161145.6 Ų145.683%0.82676%0.763SS**  trans-80.995.5172.5-54.4-179.5000109L388 S392L388-I390 PolarHBondContact O-N 3.3Å; I390-S392 PolarHBondContact O-N 2.86Å
391K32.6Very low34.6Very low191 Ų191147.4 Ų147.483%0.8378%0.781SS**  trans-71.9107.5-177.1-160.8170.4-170171.60111.5D389D389-K391 PolarHBondContact O-N 3.02Å; D389-K391 VanDerWaalsContact O-N 3.17Å
392S30.8Very low34.4Very low112 Ų112144.3 Ų144.378%0.78379%0.786SS**  trans-69.3129.9175.950.60000111.4I390I390-S392 PolarHBondContact O-N 2.86Å
393V32.8Very low33.9Very low134 Ų134143 Ų14381%0.81279%0.788SS**  trans-100.997.8178.4179.90000109.5
394Y30.7Very low33.3Very low227 Ų227143.1 Ų143.189%0.8979%0.793SS**  trans-161.9126.5146.9-114.3-75000109.1
395S29.3Very low32.7Very low108 Ų108137 Ų13776%0.75579%0.789SS**  trans-157126.4175.6-60.80000110.5
396P32.1Very low33Very low125 Ų125138.7 Ų138.781%0.81280%0.798SS**  trans-72.1155.8159.8-1229000110.9
397S28.1Very low32.6Very low112 Ų112136.2 Ų136.278%0.78380%0.799SS**  trans-56.9134.5169.741.30000111.8
398S31.5Very low32.1Very low105 Ų105140 Ų14073%0.73481%0.805SS**  72.7139.161.6-163.70000111.7
399P44.1Very low31.8Very low121 Ų121136.2 Ų136.279%0.78679%0.793SS**  cis-136.1-172.627.443.4-25.5000117.7
400H28.4Very low31.5Very low181 Ų181136.1 Ų136.184%0.83879%0.787SS**  trans-76.4165173.9-66.1-100.5000114.2
401C22.7Very low31.3Very low128 Ų128135.2 Ų135.287%0.86578%0.784SS**  trans-124.2142151-79.80000111
402P37.4Very low31.3Very low130 Ų130132.9 Ų132.984%0.84478%0.779SS**  trans-104.5174.9-179.540.2-35.5000115.2
403S28.4Very low31.9Very low100 Ų100132.4 Ų132.470%0.69977%0.773SS**  trans-36.1151.5176.1-129.30000120.7
404M29.1Very low31.9Very low173 Ų173135 Ų13585%0.85277%0.774SS**  trans70.3131.7152.7-63.1-68.396.800120.9
405A26.5Very low31.9Very low89 Ų89131.1 Ų131.174%0.73677%0.767SS**  trans-99-177.9163.900000109
406P45.7Very low31.9Very low112 Ų112130.9 Ų130.973%0.72777%0.765SS**  cis-140.6165.98.742.7-25.7000117.5
407T28.6Very low31.6Very low135 Ų135133.3 Ų133.383%0.82876%0.762SS**  -175.9143.7123.127.60000113.7
408H27.7Very low31.6Very low176 Ų176134.3 Ų134.382%0.81576%0.758SS**  trans38.1123.3154-101.4-81.9000125.2
409S30.6Very low31.3Very low84 Ų84136.1 Ų136.159%0.58776%0.759SS**  94.4138125.8-92.50000124.4
410E29.3Very low31Very low154 Ų154135.8 Ų135.872%0.7276%0.76SS**  trans66.5131.9161.8-44-35.890.400123.7
411D30.7Very low31.5Very low143 Ų143133.2 Ų133.277%0.76576%0.759SS**  trans63.176.8146.1-64.9-17.3000123.5
412I32.1Very low31.7Very low142 Ų142130 Ų13073%0.72875%0.748SS**  5.1133.399.8-76.7171.9000114.8
413P44.1Very low31.3Very low101 Ų101131.3 Ų131.366%0.65675%0.754SS**  -150.9145.752.131-7000120.3
414K32.9Very low31.3Very low190 Ų190129.4 Ų129.483%0.82675%0.75SS**  63.7157.7128.3-63.8173.3-174.1169.70120.9
415L30.9Very low31.3Very low144 Ų144127.7 Ų127.775%0.75475%0.75SS**  cis-177.1136.5-24.7-179.696.3000108.6
416C28.5Very low31.5Very low104 Ų104128.8 Ų128.870%0.70375%0.751SS**  trans65.5170.9161.1-84.30000116.3
417K26.8Very low30.7Very low176 Ų176131.6 Ų131.677%0.76576%0.76SS**  cis-146.3-178.15.1-141.6160.9-176-174.20112.7
418L27.2Very low30.7Very low133 Ų133128.5 Ų128.570%0.69676%0.755SS**  trans-45.4161.3160.2-65.893.9000112.2
419D25.3Very low30.7Very low142 Ų142126.6 Ų126.676%0.75976%0.756SS**  -162.8179.557.6-105.1-59.2000115.3
420S38.1Very low30.4Very low115 Ų115128.2 Ų128.280%0.80477%0.766SS**  trans-135.7128.8170.9-65.80000112.6
421P39Very low30.3Very low126 Ų126124.9 Ų124.982%0.81876%0.759SS**  trans-118.4158.3142.235.2-26.1000110.4
422G27.7Very low30.1Very low60 Ų60126.3 Ų126.362%0.61976%0.762SS**  cis117.2107.54.900000111.2
423T28.5Very low30Very low159 Ų159124.5 Ų124.598%0.97576%0.762SS**  trans60.5151.9-179.858.70000116.4
424G27.9Very low30.1Very low60 Ų60125.6 Ų125.662%0.61977%0.769SS**  cis179.5156.8-8.700000113.1
425T28.3Very low30Very low137 Ų137122.2 Ų122.284%0.8476%0.764SS**  trans39.5132.7150.952.60000123.1
426S30.6Very low30.1Very low111 Ų111122.1 Ų122.178%0.77676%0.763SS**  trans107.7109.2135.475.30000121.9
427N30.2Very low29.9Very low171 Ų171125.2 Ų125.291%0.91477%0.767SS**  trans15.3133.2137.9-56.4-4.8000123
428G27.9Very low30.1Very low70 Ų70121.7 Ų121.772%0.72276%0.764SS**  trans161.8111157.900000108.9
429V27.6Very low31Very low136 Ų136121.8 Ų121.882%0.82477%0.773SS**  cis82.3128.644.6-1770000113.1
430C25.5Very low31.2Very low118 Ų118118.3 Ų118.380%0.79777%0.771SS**  trans70.3153.1178.8-73.50000117.3
431S26.9Very low30.9Very low84 Ų84117.2 Ų117.259%0.58776%0.763SS**  cis-174.8156.8-19.452.50000112
432Q26.3Very low30.4Very low174 Ų174120.3 Ų120.381%0.81376%0.764SS**  trans71.4134.3163.9-65.3165.736.400115.2
433S29.8Very low30.4Very low104 Ų104124 Ų12473%0.72777%0.769SS**  72.6138.360.4-52.80000112.4
434P46.8Very low30.6Very low124 Ų124121 Ų12181%0.80576%0.755SS**  cis-118.5163.742.78.117.8000114.9
435V30.8Very low31.9Very low118 Ų118124 Ų12472%0.71576%0.764SS**  cis99.2151.141.2179.70000113.1
436L31.9Very low31.9Very low143 Ų143126.5 Ų126.575%0.74976%0.763SS**  trans83.6138.7178.7-45.1179.4000115.8
437H24.7Very low32.9Very low169 Ų169127.1 Ų127.178%0.78276%0.764SS**  cis-157.6155.2-5.7-124-56.9000111.9
438S31.7Very low32.9Very low101 Ų101123.8 Ų123.871%0.70676%0.755SS**  trans-117161.1166.1-47.20000111.5
439P46.2Very low33.9Very low135 Ų135125.7 Ų125.788%0.87775%0.754SS**  -126.7-159.898.840.3-33000110.9
440G28Very low33.9Very low69 Ų69124.4 Ų124.471%0.71175%0.752SS**  cis160.7-174.4-0.100000108.6
441S32.8Very low34.4Very low92 Ų92124.7 Ų124.764%0.64376%0.755SS**  cis173155.4-35.846.10000109
442F28.7Very low34.5Very low191 Ų191124.5 Ų124.584%0.83877%0.766SS**  trans79.2142-179.4-56.9-76.9000116.8
443D27.2Very low34.7Very low137 Ų137119.7 Ų119.773%0.73376%0.763SS**  cis-150.2-169.6-5.1-141.4-34.8000114.4
444S32.9Very low34.7Very low96 Ų96120.3 Ų120.367%0.67177%0.767SS**  trans-96.5-171.3-164.1-43.10000113.3
445P55.1Low34.1Very low124 Ų124122.8 Ų122.881%0.80577%0.772SS**  cis-142.3-166.99.743.6-21.2000118.7
446F29.4Very low34Very low190 Ų190121.1 Ų121.183%0.83378%0.779SS**  trans-66.2177.8-177.7-76.3-85.6000117.1
447P49.8Very low33.8Very low123 Ų123118.2 Ų118.280%0.79978%0.783SS**  cis-140-1741840.2-17.7000120
448S31Very low34.1Very low101 Ų101119 Ų11971%0.70679%0.792SS**  trans-62.7-174.4-178.5-390000116.7
449P48.3Very low34Very low110 Ų110118 Ų11871%0.71480%0.798SS**  cis-150.117013.945.7-24.7000121.9
450S28.8Very low33.2Very low110 Ų110115.1 Ų115.177%0.76979%0.793SS**  trans50.8127.413868.20000124.8
451S35.4Very low33.3Very low124 Ų124117.3 Ų117.387%0.86780%0.797SS**  -158.2146.6120.743.30000109
452G29.9Very low33Very low80 Ų80122.4 Ų122.483%0.82581%0.811SS**  cis118.4120.64.600000110.4
453G29Very low33Very low72 Ų72116.6 Ų116.674%0.74281%0.805SS**  trans-168.1-174.1-175.800000117.1
454S31.1Very low33.1Very low118 Ų118115.9 Ų115.983%0.82581%0.805SS**  trans75.7163.1175.7-57.30000118.8
455I32.5Very low32.9Very low175 Ų175117.9 Ų117.990%0.89780%0.804SS**  trans68.9127.8164.965.7159.7000122.3
456G29.6Very low31.8Very low84 Ų84122.1 Ų122.187%0.86680%0.804SS**  105139.3129.800000118.8
457G28.3Very low31.9Very low81 Ų81118.9 Ų118.984%0.83580%0.804SS**  trans155126.8166.300000114.5
458L30.8Very low30.9Very low186 Ų186115.7 Ų115.797%0.97479%0.794SS**  trans-128.9147.8178.6-74.4166.6000111.3
459G29.2Very low31Very low80 Ų80118.2 Ų118.283%0.82581%0.805SS**  trans93.6158142.300000119.7
460G28.7Very low30.4Very low74 Ų74118.5 Ų118.576%0.76381%0.81SS**  trans80.9129.5171.200000114.8
461S30.5Very low30.5Very low115 Ų115118.4 Ų118.480%0.80481%0.809SS**  cis104.5115.918.1-65.60000115.1
462E27.6Very low30.4Very low199 Ų199116.6 Ų116.693%0.9380%0.796SS**  trans67.6167.2154.2-55.7-166.2121.300120.4
463G28Very low30.4Very low69 Ų69124.3 Ų124.371%0.71180%0.8SS**  trans89.493.3179.400000115.2
464V28.2Very low30.5Very low123 Ų123126.7 Ų126.775%0.74581%0.806SS**  cis89.7128.932.7-178.40000114.7
465H29.5Very low30.5Very low138 Ų138131.4 Ų131.464%0.63981%0.806SS**  trans82.1120.3168.4-73.9-1.4000118.7
466R31.6Very low30.5Very low213 Ų213135.3 Ų135.380%0.80481%0.809SS**  82142.296.6-68.9178.2-169.6-1306.9112.3
467S32.3Very low30.7Very low122 Ų122140 Ų14085%0.85381%0.806SS**  cis-145.3175.64.3-45.20000108.3
468G29.4Very low30.8Very low56 Ų56143 Ų14358%0.57781%0.808SS**  cis150.3156.7-3.400000111.8
469T31.9Very low30.8Very low154 Ų154141.8 Ų141.895%0.94580%0.795SS**  trans67.1150.4-179.6810000114.9
470S35.1Very low31Very low115 Ų115146.7 Ų146.780%0.80480%0.796SS**  cis-143.1-174.52.671.70000108.9
471S31.4Very low31Very low108 Ų108147.4 Ų147.476%0.75579%0.789SS**  cis-137.7-103.73.4177.80000111.8
472S32.9Very low30.9Very low86 Ų86148.4 Ų148.460%0.60180%0.795SS**  trans-161.1145.2-161.562.40000117
473R31.5Very low30.9Very low242 Ų242142.3 Ų142.391%0.91379%0.785SS**  trans59.5152.2141-64.2168-175.4174.10.9117.8
474S30.8Very low31Very low123 Ų123145 Ų14586%0.8679%0.793SS**  cis-145.8-174.929.6-162.60000114.3
475R31.5Very low31.2Very low216 Ų216144.5 Ų144.582%0.81580%0.795SS**  trans-142.5130.8-160.9176.5-161.3-160.9-171.210.9110.9
476R32.3Very low32.3Very low258 Ų258143.5 Ų143.597%0.97480%0.801SS**  trans-140.9152.5161.8-99.6-178.8179.51740.4112.4
477K33.6Very low32.3Very low182 Ų182139.9 Ų139.979%0.79180%0.802SS**  trans-135.4135.5-176.5-94.6-173.2170.4-174.60109.1
478T29.9Very low32.2Very low144 Ų144142.3 Ų142.388%0.88380%0.799SS**  trans178.8127.6151.5240000105.9
479K31.3Very low32.2Very low160 Ų160145.3 Ų145.370%0.69681%0.812SS**  cis91.4125.517.3-153.9-162.8178.4-161.10115
480H32.4Very low32.1Very low183 Ų183145.8 Ų145.885%0.84780%0.803SS**  trans80.4150.1172-61.3-60000117.4
481S30.1Very low31.9Very low89 Ų89146.6 Ų146.662%0.62280%0.797SS**  cis-177.5155.7-2652.40000111.9
482C28.3Very low31.7Very low137 Ų137150.9 Ų150.993%0.92681%0.806SS**  trans65.2158.1170.1-53.60000114.1
483G27.4Very low31.7Very low70 Ų70155.4 Ų155.472%0.72282%0.817SS**  cis146.9152.12300000104.5
484S29Very low32.9Very low126 Ų126148.8 Ų148.888%0.88181%0.805SS**  cis-160.6172.314.2-58.70000110.2
485S32.3Very low33.4Very low113 Ų113148.5 Ų148.579%0.7980%0.801SS**  trans-97.7-170.2159.5-49.80000109.3
486P53.6Low33.5Very low117 Ų117146.8 Ų146.876%0.7680%0.802SS**  cis-139.8-159.5-0.839.8-17.4000114.8
487V30.5Very low33.4Very low136 Ų136139.2 Ų139.282%0.82479%0.788SS**  trans148.9153.9137.8168.50000114.6
488H31.1Very low33Very low173 Ų173139.1 Ų139.180%0.80180%0.796SS**  trans-80.3156.5-171-82.3-115.5000117.6
489S29.8Very low32.9Very low119 Ų119137.7 Ų137.783%0.83279%0.791SS**  -177.1172.5123.761.30000110.7
490H29.3Very low32.8Very low164 Ų164138.9 Ų138.976%0.75980%0.804SS**  -164.1168.4-67.2-152-106.4000106.3
491L30.1Very low32.5Very low132 Ų132135.1 Ų135.169%0.69180%0.798SS**  trans-45.5153.3-168.9-75.684.1000119.2
492Q28.5Very low32.4Very low199 Ų199138.4 Ų138.493%0.9381%0.808SS**  -165172.3117.5-107.7175.18.600115
493H31.5Very low32.3Very low180 Ų180137.6 Ų137.683%0.83380%0.795SS**  trans-113172.5-169.8-99.7-92.1000113.4
494P58.2Low32.4Very low103 Ų103141.8 Ų141.867%0.66980%0.795SS**  trans-109.9165.7-166.741.1-35.2000116.5
495P41.8Very low32.3Very low118 Ų118145 Ų14577%0.76679%0.793SS**  trans-101.5145.1144.635.8-27.5000110.3
496Q31.9Very low32.2Very low180 Ų180144.6 Ų144.684%0.84179%0.791SS**  cis74.2104.248.9-69.9-156-7.900116.1
497S30Very low31.6Very low98 Ų98144.8 Ų144.869%0.68579%0.792SS**  trans38.3124.3142.559.50000121.9
498L26.5Very low31.4Very low181 Ų181143.4 Ų143.495%0.94879%0.788SS**  -138.5145.5126.3-82.4-174.7000110.4
499S27.8Very low31.4Very low113 Ų113143.3 Ų143.379%0.7979%0.793SS**  trans-97.4140.1171.5-57.50000110
500L27.8Very low31.5Very low185 Ų185145.4 Ų145.497%0.96979%0.789SS**  trans-139139.5157-81.2-179.5000110.1
501S26.1Very low31.5Very low104 Ų104146 Ų14673%0.72779%0.792SS**  trans-134.5128.7-179.352.50000108.8
502L28.1Very low31.6Very low159 Ų159145.9 Ų145.983%0.83279%0.792SS**  trans-162.7152.1145.7-133.567000112.7
503D27.4Very low31.7Very low120 Ų120143.1 Ų143.164%0.64278%0.783SS**  trans-35.5155.6174.3-63.8-104.7000118.2
504H29.2Very low31.8Very low158 Ų158145.8 Ų145.873%0.73179%0.786SS**  -170.7154.666-92.4-58.6000116.8
505K26.9Very low30.3Very low192 Ų192144.1 Ų144.184%0.83579%0.787SS**  trans68.7121.5145.3-74.4177176.5178.50121.7
506S29.1Very low29.9Very low105 Ų105144.4 Ų144.473%0.73479%0.792SS**  trans-88.3171.9153.754.10000111.7
507P41.8Very low29.8Very low122 Ų122141.5 Ų141.579%0.79279%0.792SS**  -128.5153.593.935.9-26.9000112
508S26.7Very low30Very low106 Ų106144.4 Ų144.474%0.74180%0.799SS**  cis88.6109.338.5-164.70000114.4
509L31.5Very low30.2Very low171 Ų171144.4 Ų144.490%0.89580%0.799SS**  trans-159.5134.5160.7-143.4164000107.5
510E30.8Very low30.3Very low163 Ų163144.1 Ų144.176%0.76280%0.797SS**  trans-110.5155.4-173.4-62.3-171.3112.600113.3
511E29.4Very low30.5Very low176 Ų176143.6 Ų143.682%0.82279%0.794SS**  -177.2123.6121.7-95.5-170.7115.400108.8
512N32.2Very low31.1Very low130 Ų130144.5 Ų144.570%0.69580%0.798SS**  59.1126.296.3-89.1-47.7000114.3
513L31Very low31.2Very low141 Ų141142 Ų14274%0.73879%0.794SS**  cis-147.1164.232.5-76.4164.6000115.3
514R32.8Very low31.3Very low237 Ų237144 Ų14489%0.89480%0.804SS**  trans-7.3149.8158-41178.7-163.2-135.13119.8
515G28.2Very low31.9Very low67 Ų67142.4 Ų142.469%0.69181%0.807SS**  cis155.3170.7-3.700000114.3
516S32.8Very low32.1Very low125 Ų125138.7 Ų138.787%0.87481%0.805SS**  trans65.4146.5169.7-53.30000117.5
517S30.2Very low32.1Very low118 Ų118142.3 Ų142.383%0.82582%0.815SS**  cis-139.7157.312.2-62.30000113
518L33.2Very low31.4Very low160 Ų160140 Ų14084%0.83881%0.814SS**  trans-98.3151.4164.4-68.9166.1000110.5
519L31.7Very low31.5Very low180 Ų180141.3 Ų141.394%0.94282%0.823SS**  trans-140.7143.5150.9-80.2-177.4000109.9
520S28.9Very low31.3Very low108 Ų108136.5 Ų136.576%0.75582%0.815SS**  trans-122.9156-171.2-56.40000112.2
521L32.3Very low31.3Very low173 Ų173133.2 Ų133.291%0.90682%0.815SS**  trans-71.5137.4174.5-70.4160.2000111.7
522P38Very low31.3Very low124 Ų124134.2 Ų134.281%0.80582%0.822SS**  trans-87.6158.8159.635.4-32.1000111.5
523S30.2Very low31.1Very low107 Ų107139.8 Ų139.875%0.74883%0.834SS**  trans-154.8175.6174.259.70000111.2
524L29.9Very low31.1Very low162 Ų162140.2 Ų140.285%0.84884%0.842SS**  trans69.2164-174.2-90.468.9000115.4
525P43Very low30.9Very low123 Ų123137.3 Ų137.380%0.79984%0.836SS**  cis-120.9-178.1-0.939.7-25.5000114.8
526S30.5Very low31.1Very low114 Ų114141.2 Ų141.280%0.79784%0.836SS**  trans-130.3145.6169.5650000111.4
527L30.1Very low30.9Very low182 Ų182145.4 Ų145.495%0.95383%0.833SS**  trans151.2131.7137.1-172.365.8000110.9
528G26.4Very low30.9Very low74 Ų74145 Ų14576%0.76382%0.821SS**  trans-169.1128.6176.200000111.8
529S29.1Very low30.8Very low132 Ų132143.8 Ų143.892%0.92382%0.821SS**  trans-89.1162.8-164.8-167.30000115.1
530G26Very low30.8Very low71 Ų71141.3 Ų141.373%0.73281%0.813SS**  trans142.770.6171.500000114.3
531A30.9Very low30.9Very low93 Ų93145 Ų14577%0.76982%0.818SS**  76.7100.771.500000115.9
532M29.2Very low30.8Very low197 Ų197141.1 Ų141.197%0.9781%0.811SS**  trans-162.9157.1140.6-115.2-176.7173.700111.9
533W28.1Very low30.4Very low248 Ų248141.7 Ų141.794%0.93981%0.813SS**  trans-111.2151.4-177-79.4-14000112.6
534T30.8Very low30.6Very low149 Ų149142.6 Ų142.691%0.91481%0.814SS**  -162.5165.5124.68.90000110.7
535K29.8Very low31.1Very low176 Ų176140.9 Ų140.977%0.76581%0.812SS**  trans-156.4165.3-167.7-142-174.1-171.9-174.30111.3
536H32.3Very low30.5Very low150 Ų150141.3 Ų141.369%0.69481%0.812SS**  trans77.6151.7176.8-53.7-81.3000115.4
537R28.1Very low30.6Very low212 Ų212141.7 Ų141.780%0.881%0.81SS**  cis-152.7133.18.6-150.7164.1178.4179.3-5.2116.4
538D30.3Very low31.2Very low110 Ų110138.5 Ų138.559%0.58880%0.8SS**  trans23.5159.4142.5-37.4-31.9000125.4
539T30.6Very low31.4Very low134 Ų134141.5 Ų141.582%0.82280%0.803SS**  trans79.3147.1153.618.40000119.9
540V31.5Very low31.5Very low129 Ų129141 Ų14178%0.78280%0.795SS**  cis-136.5-1632.7-152.10000111.7
541Q31.3Very low32.4Very low185 Ų185143.8 Ų143.886%0.86480%0.8SS**  trans-89.2161-157.4-63.5165-40.400118.5
542A30Very low32.3Very low91 Ų91145.5 Ų145.575%0.75280%0.801SS**  trans-15.9152.5157.100000122.7
543T31.5Very low32.3Very low137 Ų137143.6 Ų143.684%0.8479%0.792SS**  178.2159.8110-66.60000111.1
544T34.3Very low32.3Very low126 Ų126138.1 Ų138.177%0.77378%0.781SS**  trans-83.6163176.850.30000113.5
545P38.9Very low32.2Very low126 Ų126135.5 Ų135.582%0.81878%0.775SS**  -147.9-163.1116.839.7-22.9000115.8
546V30.5Very low33.1Very low132 Ų132132.3 Ų132.380%0.877%0.772SS**  trans-103.6173.1-157.8171.20000114.1
547T33.8Very low32.9Very low122 Ų122137 Ų13775%0.74878%0.783SS**  trans-65157.9179.253.30000117.6
548P42.2Very low32.9Very low115 Ų115136 Ų13675%0.74779%0.787SS**  trans-120.8144.413320.9-2.6000111.3
549V31.2Very low32.8Very low137 Ų137140.8 Ų140.883%0.8380%0.803SS**  81.9130.957.6177.90000114.1
550T31.1Very low32.7Very low122 Ų122137.6 Ų137.675%0.74880%0.798SS**  trans-98.9159.3-176.945.90000114
551P43.2Very low32.6Very low128 Ų128136.4 Ų136.483%0.83180%0.801SS**  trans-113.8167.7155.338.6-29000113.1
552T29.8Very low32.6Very low130 Ų130134.9 Ų134.980%0.79880%0.799SS**  trans-145.3155.4178.4-43.80000110.6
553M29.8Very low32.8Very low156 Ų156139.5 Ų139.577%0.76881%0.805SS**  trans109.7152.5157-59.9-162.760.600119.5
554D26.6Very low32.7Very low133 Ų133137 Ų13771%0.71181%0.806SS**  trans76.789.8157.3-57.5-24.5000123.1
555A29.2Very low32.5Very low95 Ų95134.8 Ų134.879%0.78581%0.809SS**  79.4157106.400000120.8
556P50Low32.2Very low108 Ų108138.6 Ų138.670%0.70182%0.815SS**  trans-126.8150.1-149.240.4-25.8000116.7
557W26.7Very low32.2Very low248 Ų248135.5 Ų135.594%0.93981%0.811SS**  trans-149.3139.8159.3-72.4101.5000111.7
558H28.1Very low32.1Very low192 Ų192138.4 Ų138.489%0.88982%0.816SS**  trans-150.4133.6159.4-109.8-80.7000110.6
559F28.8Very low31.6Very low210 Ų210140 Ų14092%0.92182%0.815SS**  trans-72.1160.5163.7-73.1-118.6000109.5
560G27.7Very low31.8Very low68 Ų68140.8 Ų140.870%0.70181%0.809SS**  cis150.3137.2-5.100000112.5
561A30.1Very low32Very low104 Ų104141.9 Ų141.986%0.8681%0.81SS**  trans51.8119.5163.300000121.9
562D30.9Very low31.4Very low152 Ų152139.4 Ų139.481%0.81381%0.808SS**  trans-167.3103.6131.2-122.720.1000105.5
563E34.3Very low31.6Very low188 Ų188137.1 Ų137.188%0.87981%0.81SS**  90.4136.286.8-84.4-115.413500113.8
564G30.1Very low31.7Very low84 Ų84133.7 Ų133.787%0.86681%0.814SS**  trans92.3119.2174.800000116.9
565G29Very low32.2Very low80 Ų80135.2 Ų135.283%0.82582%0.822SS**  cis168.1-10.4-6.400000118.9
566E33.8Very low32.3Very low206 Ų206134 Ų13496%0.96382%0.819SS**  trans-143.4149.6-171.7-58.9178.1-17600110.9
567G30Very low31.6Very low68 Ų68140.7 Ų140.770%0.70183%0.831SS**  cis166.6100.5-8.300000113.4
568E32.6Very low31.7Very low182 Ų182132 Ų13285%0.8582%0.819SS**  trans61.7162.5170.4-56.2-170.4110.900116.9
569M31.7Very low31.9Very low148 Ų148132 Ų13273%0.72982%0.819SS**  cis-149.7156.37.7-147.4174.3-163.300112.7
570E33.5Very low32Very low154 Ų154130.6 Ų130.672%0.7282%0.815SS**  trans-3.8159156.2-63.5-159.5125.600123.1
571L36.5Very low32.3Very low146 Ų146131.8 Ų131.876%0.76481%0.813SS**  cis-165.3154.6-1.1-119.3174.4000113.1
572G30.4Very low32.3Very low76 Ų76131.9 Ų131.978%0.78481%0.807SS**  trans83.9142.2147.500000120.2
573G33.4Very low32.2Very low81 Ų81130.3 Ų130.384%0.83580%0.803SS**  cis168.1121.5-12.700000116.4
574G32.5Very low32Very low84 Ų84131.6 Ų131.687%0.86680%0.8SS**  trans72.9162.6159.600000119
575D37Very low31.9Very low165 Ų165137.2 Ų137.288%0.88280%0.8SS**  cis-163.1156.5-24.5-171.610.5000108.4
576G31.2Very low31.7Very low70 Ų70137.2 Ų137.272%0.72280%0.801SS**  trans164.9104.8177.100000118.3
577R34.7Very low31.4Very low248 Ų248133.3 Ų133.394%0.93680%0.796SS**  trans-67166.3169.7-58.9150.3173.9-98.9-0.3112
578G29.1Very low31.4Very low67 Ų67135.7 Ų135.769%0.69180%0.802SS**  cis176.7142.80.200000107.3
579E33.3Very low31.2Very low191 Ų191132.3 Ų132.389%0.89380%0.798SS**  96.7153.681.3-162.8167.2-160.300113.4
580E29.7Very low31Very low180 Ų180129.8 Ų129.884%0.84180%0.802SS**  trans72.2153.2177.3-62.4-149.1132.800120.8
581S34.4Very low30.8Very low94 Ų94133.4 Ų133.466%0.65781%0.81SS**  cis-171.7122.4-30.5-172.40000113.7
582S29.8Very low30.4Very low105 Ų105133 Ų13373%0.73481%0.813SS**  trans59.3179146.1-127.70000119.4
583V30Very low30.2Very low119 Ų119132.6 Ų132.672%0.72180%0.803SS**  cis-142.9135.63.2-130.40000113.3
584R29.8Very low29.9Very low216 Ų216139.2 Ų139.282%0.81581%0.809SS**  trans41.3139134.8-73.7-179.7-179.3-1780.8125.9
585F26.5Very low29.5Very low201 Ų201138.9 Ų138.988%0.88281%0.805SS**  trans82.5139.5135.6-97.2-114.7000122.4
586G26.1Very low29.2Very low81 Ų81137.6 Ų137.684%0.83581%0.808SS**  trans158.380.1172.200000113.2
587S28Very low29.1Very low123 Ų123139.5 Ų139.586%0.8681%0.81SS**  trans-105.2134.6178.7-178.30000111.9
588S28.2Very low28.8Very low119 Ų119136.9 Ų136.983%0.83281%0.808SS**  trans-160.5151.7148.2-164.10000111.9
589S28.6Very low28.7Very low110 Ų110137.8 Ų137.877%0.76982%0.817SS**  trans-104145.4172.9176.70000110.2
590A28.3Very low28.5Very low96 Ų96133.7 Ų133.779%0.79382%0.816SS**  trans-151.3121.8159.900000110.5
591Y29.3Very low28.5Very low229 Ų229136.8 Ų136.890%0.89882%0.82SS**  trans-107.2115.9176.1-153.7-83.9000108.1
592V27.9Very low28.2Very low137 Ų137140.1 Ų140.183%0.8383%0.83SS**  trans-141.2140.9174.3-161.10000109.6
593A26.6Very low28.1Very low68 Ų68145.3 Ų145.356%0.56283%0.833SS**  trans-127.2177.917800000111
594F27.1Very low28.1Very low221 Ų221145.9 Ų145.997%0.96983%0.832SS**  trans75.4146.5-176.5-65.7-91000116.9
595G24.6Very low27.9Very low76 Ų76145.5 Ų145.578%0.78484%0.837SS**  trans146.567.7172.400000115.3
596C29.5Very low28.1Very low139 Ų139140.9 Ų140.994%0.93983%0.829SS**  trans-100.6115171.3-65.50000111.5
597S29.9Very low28.2Very low110 Ų110146.4 Ų146.477%0.76983%0.834SS**  trans-163.9124160.255.40000114.1
598E27.8Very low28.3Very low193 Ų193150.5 Ų150.590%0.90283%0.83SS**  trans32.4108.1142.6-58.3-174.8103.800121.6
599G28.1Very low28.3Very low85 Ų85154.2 Ų154.288%0.87683%0.834SS**  72.3103.792.200000119.7
600A27.6Very low28.3Very low106 Ų106156.4 Ų156.488%0.87683%0.83SS**  trans-133.7148.9157.500000111.2
601R31.1Very low28.4Very low244 Ų244159.2 Ų159.292%0.92183%0.831SS**  trans-116.8151.8172.1-67.2-175.4179.7-165.51.3110
602L27.5Very low28.3Very low165 Ų165153.7 Ų153.786%0.86483%0.826SS**  trans147.4154.7153.1-81.8163.1000107.8
603R26.9Very low28.2Very low213 Ų213150.4 Ų150.480%0.80482%0.819SS**  cis-169.6122-33.4170.6176.7-178.2-170.51.4107.5
604D29.9Very low29.3Very low131 Ų131153 Ų15370%0.70183%0.83SS**  trans19.7123.3147.3-17927.3000119.6
605K27.1Very low29.4Very low209 Ų209151.6 Ų151.691%0.90983%0.827SS**  trans-145.9117.8150.6-112.4179.9-177.5-178.70111.5
606S29.5Very low29.6Very low103 Ų103154 Ų15472%0.7283%0.826SS**  trans-83.8146.8170.4174.10000111.9
607Q27.8Very low29.5Very low198 Ų198156 Ų15693%0.92582%0.822SS**  trans-149.9157.9150.2-129167.2-10.600111.6
608R31Very low29.5Very low209 Ų209161 Ų16179%0.78982%0.824SS**  trans-149.5130.3-165.7168.6-150.6-175.2-1658108.5
609E27.9Very low29.6Very low197 Ų197157.2 Ų157.292%0.92181%0.81SS**  trans-144.5-176.8161.6-136.3134.6-132.100112.4
610K28.9Very low29.7Very low156 Ų156160.8 Ų160.868%0.67880%0.804SS**  trans-155.3161.8-140.3-165.2-164.4174.2-165.40113.2
611L29.9Very low29.7Very low155 Ų155165.8 Ų165.881%0.81280%0.8SS**  trans76.3150.4176.2-55.2119.3000113.2
612S28Very low29.5Very low113 Ų113160.4 Ų160.479%0.7979%0.789SS**  cis-145.2167.618.454.90000113.8
613G26Very low29.6Very low67 Ų67156.8 Ų156.869%0.69178%0.778SS**  trans-106.8-150.2156.100000109.9
614P48.8Very low29.6Very low123 Ų123152.9 Ų152.980%0.79978%0.778SS**  cis-134.7-179.9-1142.9-28.4000113.5
615Q28.9Very low29.5Very low191 Ų191152.6 Ų152.689%0.89379%0.786SS**  trans-166.7163137.4-118.2173.5-16.800114.3
616T29.2Very low29.6Very low126 Ų126147.5 Ų147.577%0.77378%0.783SS**  trans-153.6139.3-171.650.40000112.5
617Q28.4Very low29.8Very low183 Ų183148.3 Ų148.386%0.85579%0.788SS**  trans-165.1141.1148.9-101.3152.30.700107.2
618R29.9Very low29.9Very low215 Ų215144 Ų14481%0.81178%0.78SS**  cis77.4140.744.6-79.2-168173-160.91.2113.1
619D28.6Very low29.8Very low113 Ų113139.8 Ų139.860%0.60478%0.783SS**  cis-147.3174.214-100-36.4000114.7
620H30.5Very low29.9Very low160 Ų160138.4 Ų138.474%0.74178%0.782SS**  trans-8.6173.7155.2-73.8-108.9000122.7
621W27.3Very low29.8Very low211 Ų211134.6 Ų134.680%0.79979%0.787SS**  cis175.5177.9-28.6-168.7-88000107.1
622D28Very low30.1Very low131 Ų131133.4 Ų133.470%0.70179%0.786SS**  trans69.3157.2169.2-76.9-46.8000119.8
623S29Very low30.8Very low89 Ų89133.4 Ų133.462%0.62278%0.783SS**  cis-164.6152.8-38.1-107.60000112.9
624T27.3Very low30.9Very low130 Ų130135.3 Ų135.380%0.79879%0.792SS**  trans4.4130.2162.657.20000122.2
625S28.4Very low30.1Very low125 Ų125134.9 Ų134.987%0.87479%0.792SS**  -167.415312037.60000111.1
626A29.2Very low30.2Very low102 Ų102135.1 Ų135.184%0.84379%0.793SS**  trans-157.1135.9-173.500000115
627S32.1Very low30.5Very low120 Ų120138.2 Ų138.284%0.83980%0.796SS**  trans-178.7151.8158.847.80000108.6
628S30.8Very low30.7Very low108 Ų108138.6 Ų138.676%0.75580%0.798SS**  cis-166.9141.6-14.247.90000110.7
629S29.5Very low30.8Very low120 Ų120137.9 Ų137.984%0.83980%0.801SS**  trans174160.9144.740.90000110.4
630N30.1Very low30.8Very low168 Ų168141.8 Ų141.890%0.89881%0.813SS**  trans-106.8143.1-157.3-65.3-28.3000115.1
631G26.9Very low31.1Very low76 Ų76145.8 Ų145.878%0.78482%0.821SS**  trans-165121165.300000110.8
632V35.7Very low31.4Very low130 Ų130147.2 Ų147.279%0.78883%0.827SS**  trans-153.5150.4-161.1-163.50000109.3
633P41.7Very low31.6Very low113 Ų113146.3 Ų146.373%0.73483%0.83SS**  cis-127.8177.1-42.340.1-25.9000112.5
634A28.3Very low31.6Very low107 Ų107148 Ų14888%0.88484%0.841SS**  trans-148.9115.215100000109.9
635S31.9Very low31.6Very low115 Ų115148.9 Ų148.980%0.80484%0.836SS**  trans-122.3148.5-177.254.60000113.1
636E32Very low31.7Very low195 Ų195150.7 Ų150.791%0.91183%0.832SS**  trans-70.3151.8-170.5-59.3167.110000113.3
637K35.7Very low31.8Very low192 Ų192153.1 Ų153.184%0.83583%0.826SS**  trans-111.192.4170.6-75-175.9177.8175.10111.4F639K637-F639 PolarHBondContact O-N 2.75Å
638Q32.7Very low31.6Very low191 Ų191156.6 Ų156.689%0.89383%0.827SS**  trans-68.3117174.9-169.5-176.353.900111.1K640Q638-K640 PolarHBondContact O-N 3.09Å
639F31.3Very low31.6Very low199 Ų199161 Ų16187%0.87384%0.836SS**  trans-80.1107.5-177.8-90.7-89000113K637K637-F639 PolarHBondContact O-N 2.75Å
640K29.3Very low31.8Very low196 Ų196164.6 Ų164.685%0.85284%0.839SS**  trans-81.4114.3-178.2-168.5170-174.6171.70111.6Q638 R642Q638-K640 PolarHBondContact O-N 3.09Å; K640-R642 PolarHBondContact O-N 3.41Å
641R37.1Very low31.9Very low243 Ų243160 Ų16092%0.91783%0.831SS**  trans-62.4132.9171.7-72.4-173.5175-160.6-1.4110.3
642R32.1Very low32.1Very low242 Ų242164.7 Ų164.791%0.91384%0.837SS**  trans-89.6133.9166.8-69-172.6177-158.9-1109.7K640K640-R642 PolarHBondContact O-N 3.41Å
643S32Very low32Very low111 Ų111163.9 Ų163.978%0.77684%0.837SS**  trans-107.7134.1161.2-172.70000107.4
644C30.1Very low31.6Very low126 Ų126167 Ų16785%0.85184%0.841SS**  trans-102.295.3176.6-68.30000109.3
645Q27.4Very low31.7Very low147 Ų147167.1 Ų167.169%0.68783%0.831SS**PPolyproline II helixtrans-91.3119.1169177.6164.9-44.700107.3E647Q645-E647 HydrophobicContact CG-CG 3.95Å; Q645-E647 PolarHBondContact NE2-OE1 2.71Å
646M29.7Very low31.7Very low163 Ų163172.2 Ų172.280%0.80383%0.833SS**PPolyproline II helixtrans-93.4120.5164.6-66.3-152.7-47.900108.1
647E31.1Very low31.7Very low154 Ų154168.1 Ų168.172%0.7283%0.826SS**PPolyproline II helixtrans-92.9136.1174.2-57-173.4136.500107.8Q645Q645-E647 HydrophobicContact CG-CG 3.95Å; Q645-E647 PolarHBondContact NE2-OE1 2.71Å
648F29.1Very low31.5Very low192 Ų192169.7 Ų169.784%0.84283%0.826SS**  trans-99.1113.4170.9-92-98.3000107.2
649E30.1Very low31.5Very low202 Ų202167.5 Ų167.594%0.94482%0.816SS**  trans-85.9132.2172.4-169.9168.4-143.400109
650E33.6Very low31.6Very low194 Ų194165.6 Ų165.691%0.90781%0.81SS**  trans-134.6102.1-170.8-168.4170.2-120.400111.1
651G31.9Very low31.7Very low71 Ų71163.5 Ų163.573%0.73281%0.807SS**  trans100.7108.5154.900000118.7
652I32.2Very low31.4Very low176 Ų176155 Ų15590%0.90380%0.795SS**  trans-130.8161.4134.753.4170.9000108.9
653S33.3Very low31.6Very low113 Ų113153 Ų15379%0.7979%0.793SS**  trans-128-177.6-167.7-67.10000112.5
654E33.2Very low31.8Very low177 Ų177155.9 Ų155.983%0.82780%0.798SS**  trans81.6143.5174.8-54.5-161.4156.800116
655T30.6Very low31.9Very low110 Ų110152.7 Ų152.768%0.67579%0.787SS**  cis-156.3170.4-4.212.10000113
656R30.9Very low32.3Very low223 Ų223156 Ų15684%0.84280%0.799SS**  trans75.596.4152.9-74.7165.3-172.1-160.82.4121.7
657S32.7Very low32.6Very low109 Ų109156.8 Ų156.876%0.76280%0.8SS**  40.8128.5117.5630000122.2
658R30.5Very low32.7Very low224 Ų224155.4 Ų155.485%0.84581%0.808SS**  165166.3104.4-169.5162.3171.6-157.8-13.4113.1
659E32.8Very low33Very low145 Ų145150.9 Ų150.968%0.67880%0.8SS**  trans-63.9170.8177-40108.1155.900113.5
660E33.7Very low33Very low159 Ų159151.1 Ų151.174%0.74380%0.798SS**  cis-160.3170.98.3-148.1-167.4141.600110.2
661L31.6Very low33Very low152 Ų152147.3 Ų147.380%0.79679%0.793SS**  trans53.7132.3159.7-68155.5000120
662G31.1Very low32.9Very low64 Ų64147 Ų14766%0.6679%0.789SS**  cis160.9167.6-6.600000113.6
663K36.6Very low32.9Very low200 Ų200143.9 Ų143.987%0.8778%0.783SS**  trans71.7142.2169.6-60.3177.3179.1173.30119
664I35.9Very low32.9Very low173 Ų173146.5 Ų146.589%0.88779%0.785SS**  trans67.9134169.1-57.3153.6000114.6
665G32.1Very low33Very low59 Ų59146.8 Ų146.861%0.60879%0.786SS**  cis149.1142.1-9.700000113.6
666K36.2Very low33.5Very low216 Ų216148.4 Ų148.494%0.93979%0.789SS**  trans83.8152177.7-56.1179.7179.1178.30116.8
667Q36.5Very low33.7Very low179 Ų179145 Ų14584%0.83679%0.786SS**  trans-77.9155.7-170.1-60.9151.5-45.400112.3
668S32.3Very low34.1Very low126 Ų126148.4 Ų148.488%0.88179%0.79SS**  trans-123.1106.7152.6-173.90000108.2
669S35.3Very low34.2Very low96 Ų96144 Ų14467%0.67179%0.788SS**  trans-96.5111.8-176.8-60.80000109.8S671S669-S671 PolarHBondContact O-N 2.69Å
670F29.8Very low34.8Very low208 Ų208146.1 Ų146.191%0.91282%0.819SS**  trans-77.189.5177.9-158.6-88.7000110.4G672F670-G672 PolarHBondContact O-N 3.14Å; F670-G672 VanDerWaalsContact O-N 3.14Å
671S33.8Very low34.9Very low114 Ų114145.5 Ų145.580%0.79782%0.822SS**  trans-76.199-177.3-167.60000111.5S669S669-S671 PolarHBondContact O-N 2.69Å
672G30.4Very low35Very low63 Ų63145.1 Ų145.165%0.64982%0.824SS**  trans-96.3101.7165.600000110.3F670 M674F670-G672 PolarHBondContact O-N 3.14Å; F670-G672 VanDerWaalsContact O-N 3.14Å; G672-M674 PolarHBondContact O-N 3Å
673S32.3Very low35.3Very low112 Ų112149.6 Ų149.678%0.78383%0.833SS**  trans-70.5110.1176.148.60000111
674M33.9Very low35.2Very low167 Ų167146.6 Ų146.682%0.82383%0.831SS**  trans-99103.8172-177.1104.469.300109G672G672-M674 PolarHBondContact O-N 3Å
675E34.7Very low35.1Very low183 Ų183145 Ų14586%0.85583%0.827SS**  trans-78.7127.6173.3-66.2-173.2149.400110.3
676I39.8Very low35.3Very low144 Ų144150.7 Ų150.774%0.73884%0.842SS**  trans-109.2119.2175.7-60.9175.5000107.3
677I36.3Very low35.3Very low152 Ų152146.1 Ų146.178%0.77984%0.835SS**  trans-89105.5172.7-57.7174.6000107.6V679I677-V679 HydrophobicContact CG2-CG2 4.14Å
678E40.6Very low35.2Very low181 Ų181143.5 Ų143.585%0.84684%0.835SS**  trans-72.7138.3160.7-73.9-166.6124.500109.6
679V33.4Very low35.4Very low131 Ų131145 Ų14579%0.79483%0.831SS**  trans-118.8118.2174.5-177.10000107.1I677I677-V679 HydrophobicContact CG2-CG2 4.14Å
680S44.9Very low35.4Very low189 Ų189149.5 Ų149.5100%1.32285%0.845SS**  trans-85.80172.3-56.20000111.3

Retrieved 680 of 680 residues in 1017.3 ms (Link to these results)

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