A0A093HJ10_STRCA Loading...

Dual specificity protein phosphatase

Dual specificity phosphatase able to dephosphorylate phosphotyrosine, phosphoserine and phosphothreonine residues, with a preference for phosphotyrosine as a substrate.

AlphaFold DB , UniProt , Accession A0A093HJ10, Species STRCA (Struthio camelus australis), Gene n/a, Length 214 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
1M38.3Very low39.4Very low247 Ų247139.6 Ų139.6100%1.21783%0.834SS**  0103.60-76.3176.7159.200107.8
2S35.6Very low42.2Very low129 Ų129135.4 Ų135.490%0.90280%0.804SS**  trans-87.7124-178.8-169.10000108.6
3S38.6Very low44.5Very low119 Ų119126.7 Ų126.783%0.83276%0.756SS**  trans-116.195.4166.148.10000107.9G5S3-G5 PolarHBondContact O-N 3.45Å
4G33.2Very low46.7Very low69 Ų69127.4 Ų127.471%0.71174%0.74SS**  trans-72.3106.4172.300000109.7L6G4-L6 PolarHBondContact O-N 3.32Å
5G32.2Very low49.2Very low70 Ų70124.2 Ų124.272%0.72272%0.724SS**  trans-68.4125.1166.500000110S3 N7S3-G5 PolarHBondContact O-N 3.45Å; G5-N7 PolarHBondContact O-N 2.84Å; G5-N7 VanDerWaalsContact O-N 3.1Å
6L36.4Very low51.6Low168 Ų168119.9 Ų119.988%0.8871%0.707SS**  trans-61.5111.8171.1-85.290.6000109.6G4 T8G4-L6 PolarHBondContact O-N 3.32Å; L6-T8 PolarHBondContact O-N 3.35Å
7N34.3Very low53.8Low162 Ų162114.1 Ų114.187%0.86667%0.673SS**  trans-66.699.8166.9-98.5-33.9000109.3G5 A9G5-N7 PolarHBondContact O-N 2.84Å; G5-N7 VanDerWaalsContact O-N 3.1Å; N7-A9 PolarHBondContact O-N 3.47Å
8T41.8Very low55.8Low132 Ų132112.1 Ų112.181%0.8166%0.655SS**  trans-72.580.2163.4520000108.7L6 K10L6-T8 PolarHBondContact O-N 3.35Å; T8-K10 PolarHBondContact O-N 3.25Å; T8-K10 VanDerWaalsContact O-N 3.17Å
9A41.8Very low57.2Low82 Ų82107.4 Ų107.468%0.67863%0.627SS**  trans-56.9120.3170.700000108.5N7 K11N7-A9 PolarHBondContact O-N 3.47Å; A9-K11 PolarHBondContact O-N 3.31Å
10K42.9Very low58.5Low209 Ų209103.8 Ų103.891%0.90961%0.605SS**  trans-55103.5173.9-72.3178.5178.8175.20108T8 N12T8-K10 PolarHBondContact O-N 3.25Å; T8-K10 VanDerWaalsContact O-N 3.17Å; K10-N12 PolarHBondContact O-N 3.49Å; K10-N12 VanDerWaalsContact O-N 3.15Å
11K58.8Low59.5Low149 Ų149103 Ų10365%0.64860%0.603SS**  trans-56.4120.9178.6-73.6-177.7177.9-1800108.5A9 A13A9-K11 PolarHBondContact O-N 3.31Å; K11-A13 PolarHBondContact O-N 2.72Å
12N73.1Confident61.6Low89 Ų8998.5 Ų98.548%0.47658%0.584SS.*  trans-56.6129.2179.6-177.6-12.7000109.8K10 Y14 T15 R186K10-N12 PolarHBondContact O-N 3.49Å; K10-N12 VanDerWaalsContact O-N 3.15Å; N12-Y14 PolarHBondContact O-N 3.08Å; N12-Y14 WeakPolarHBondContact OD1-CB 3.45Å; N12-Y14 VanDerWaalsContact OD1-CD2 3.28Å; N12-Y14 WeakPolarHBondContact OD1-CD2 3.49Å; N12-Y14 PolarHBondContact OD1-N 3.04Å; N12-T15 PolarHBondContact ND2-OG1 3.11Å; N12-R186 PolarHBondContact O-NH2 3.28Å
13A70.9Confident63.7Low22 Ų2293.2 Ų93.218%0.18255%0.55CS.*THydrogen-bonded Turntrans-65-18.7-178.700000113.6K11 A30 R186K11-A13 PolarHBondContact O-N 2.72Å; A13-A30 WeakPolarHBondContact O-CB 3.39Å; A13-A30 PolarHBondContact O-N 3.24Å; A13-R186 VanDerWaalsContact CA-NH1 3.28Å; A13-R186 PolarHBondContact O-NH1 3.19Å; A13-R186 PolarHBondContact O-NH2 3.44Å
14Y75.9Confident66Low136 Ų13695 Ų9553%0.53355%0.55SS.*THydrogen-bonded Turntrans-99.7-14.8-172-61.1-77.3000114.1N12 G29 F31N12-Y14 PolarHBondContact O-N 3.08Å; N12-Y14 WeakPolarHBondContact OD1-CB 3.45Å; N12-Y14 VanDerWaalsContact OD1-CD2 3.28Å; N12-Y14 WeakPolarHBondContact OD1-CD2 3.49Å; N12-Y14 PolarHBondContact OD1-N 3.04Å; Y14-G29 WeakPolarHBondContact O-CA 3.39Å; Y14-F31 HydrophobicContact CD1-CB 4.32Å
15T84.7Confident68.7Low80 Ų8095.2 Ų95.249%0.49153%0.53SS..SBendtrans-87.9138.7-178.3-470000110.4N12 R186N12-T15 PolarHBondContact ND2-OG1 3.11Å; T15-R186 PolarHBondContact O-NH2 3.27Å
16A87.2Confident71.5Confident55 Ų5597.3 Ų97.346%0.45552%0.517SS..  trans-62.3146.4169.500000110.6T27A16-T27 CarbonylContact C-O 3.55Å; A16-T27 VanDerWaalsContact CA-O 3.27Å; A16-T27 WeakPolarHBondContact CA-O 3.43Å
17V88.3Confident74.1Confident21 Ų2189.3 Ų89.313%0.12748%0.475CS..EExtended strand (participates in β ladder)trans-121.2117.8-177.9-179.20000109.3V19 T27 I190V17-V19 HydrophobicContact CG1-CG2 4.06Å; V17-T27 PolarHBondContact N-O 2.99Å; V17-T27 PolarHBondContact O-N 3.15Å; V17-I190 HydrophobicContact CB-CD1 4.2Å; V17-I190 HydrophobicContact CB-CG1 4.4Å; V17-I190 HydrophobicContact CG1-CD1 4.34Å; V17-I190 HydrophobicContact CG1-CG1 4.41Å; V17-I190 HydrophobicContact CG2-CD1 4.02Å
18K89.6Confident76.9Confident79 Ų7982.6 Ų82.634%0.34344%0.441SS..EExtended strand (participates in β ladder)trans-84.4123.7166.2-149.8-177.2-165.2-170.10109D20 P21 G23 Y26K18-D20 VanDerWaalsContact CE-O 3.27Å; K18-D20 WeakPolarHBondContact CE-O 3.25Å; K18-P21 PolarHBondContact NZ-O 3.24Å; K18-G23 WeakPolarHBondContact CE-O 3.29Å; K18-G23 PolarHBondContact NZ-O 3.43Å; K18-Y26 HydrophobicContact CB-CD1 3.53Å; K18-Y26 HydrophobicContact CB-CE1 3.46Å; K18-Y26 VanDerWaalsContact CB-CE1 3.46Å; K18-Y26 HydrophobicContact CB-CG 4.45Å; K18-Y26 HydrophobicContact CD-CD1 4.3Å; K18-Y26 HydrophobicContact CD-CE1 3.52Å; K18-Y26 HydrophobicContact CD-CE2 4.26Å; K18-Y26 VanDerWaalsContact CD-CZ 3.48Å; K18-Y26 WeakPolarHBondContact CD-OH 3.43Å; K18-Y26 VanDerWaalsContact CE-CZ 3.48Å; K18-Y26 WeakPolarHBondContact CE-OH 3.39Å; K18-Y26 HydrophobicContact CG-CD1 3.73Å; K18-Y26 HydrophobicContact CG-CE1 3.46Å; K18-Y26 VanDerWaalsContact CG-CE1 3.46Å; K18-Y26 HydrophobicContact CG-CE2 4.37Å; K18-Y26 HydrophobicContact CG-CG 4.31Å
19V83.8Confident79.1Confident22 Ų2276.4 Ų76.413%0.13340%0.403CS..  trans-102.3-41.1179.7175.10000111.5V17 I190 A193 L194V17-V19 HydrophobicContact CG1-CG2 4.06Å; V19-I190 HydrophobicContact CG2-CG2 4.09Å; V19-A193 HydrophobicContact CB-CB 3.87Å; V19-A193 HydrophobicContact CG1-CB 3.78Å; V19-A193 HydrophobicContact CG2-CB 4.05Å; V19-L194 HydrophobicContact CG1-CB 4.24Å; V19-L194 HydrophobicContact CG1-CD2 3.49Å; V19-L194 VanDerWaalsContact CG1-CD2 3.49Å; V19-L194 HydrophobicContact CG1-CG 3.55Å
20D82.8Confident81.1Confident36 Ų3672.8 Ų72.819%0.19337%0.373CS..  trans-103.1110.8176.6-168.7-8.3000108.7K18 D22 G23K18-D20 VanDerWaalsContact CE-O 3.27Å; K18-D20 WeakPolarHBondContact CE-O 3.25Å; D20-D22 PolarHBondContact O-N 3.4Å; D20-D22 PolarHBondContact OD1-N 3.02Å; D20-G23 PolarHBondContact O-N 2.93Å
21P80.3Confident83.1Confident87 Ų8767.3 Ų67.357%0.56535%0.349SS*.THydrogen-bonded Turntrans-57.4-33.4178.7-2434.7000112.7K18K18-P21 PolarHBondContact NZ-O 3.24Å
22D81.6Confident84.5Confident152 Ų15264.3 Ų64.381%0.81334%0.338SS*.THydrogen-bonded Turntrans-91.9-9.4-176-53.2-46000112.3D20D20-D22 PolarHBondContact O-N 3.4Å; D20-D22 PolarHBondContact OD1-N 3.02Å
23G80.2Confident85.3Confident18 Ų1860.1 Ų60.119%0.18632%0.315CS..SBendtrans-89.3154.9175.900000113.4K18 D20K18-G23 WeakPolarHBondContact CE-O 3.29Å; K18-G23 PolarHBondContact NZ-O 3.43Å; D20-G23 PolarHBondContact O-N 2.93Å
24D86.5Confident86.1Confident156 Ų15660.5 Ų60.583%0.83431%0.313SS*.SBendtrans-86-12.1177.9-66-34.8000113.6Y26D24-Y26 WeakPolarHBondContact O-CD2 3.22Å
25Y89.8Confident86.6Confident74 Ų7460.4 Ų60.429%0.2931%0.312SS..  trans-85134.8-175.1-176.8-102.6000113.1P28 T161 V163 D189Y25-P28 WeakPolarHBondContact OH-CD 3.47Å; Y25-T161 HydrophobicContact CD1-CG2 4Å; Y25-T161 HydrophobicContact CD2-CG2 3.93Å; Y25-T161 HydrophobicContact CE1-CG2 3.79Å; Y25-T161 HydrophobicContact CE2-CG2 3.71Å; Y25-T161 HydrophobicContact CG-CG2 4.07Å; Y25-T161 VanDerWaalsContact CZ-CB 3.46Å; Y25-T161 WeakPolarHBondContact OH-CB 3.5Å; Y25-V163 HydrophobicContact CE2-CB 4.48Å; Y25-V163 HydrophobicContact CE2-CG2 4.24Å; Y25-D189 WeakPolarHBondContact CE1-OD2 3.21Å; Y25-D189 PolarHBondContact OH-OD2 3.36Å
26Y91.4Very high86.7Confident114 Ų11458.8 Ų58.845%0.44730%0.3SS..EExtended strand (participates in β ladder)trans-120.2126.3170.3-63.6-106.8000108.4K18 D24 P28K18-Y26 HydrophobicContact CB-CD1 3.53Å; K18-Y26 HydrophobicContact CB-CE1 3.46Å; K18-Y26 VanDerWaalsContact CB-CE1 3.46Å; K18-Y26 HydrophobicContact CB-CG 4.45Å; K18-Y26 HydrophobicContact CD-CD1 4.3Å; K18-Y26 HydrophobicContact CD-CE1 3.52Å; K18-Y26 HydrophobicContact CD-CE2 4.26Å; K18-Y26 VanDerWaalsContact CD-CZ 3.48Å; K18-Y26 WeakPolarHBondContact CD-OH 3.43Å; K18-Y26 VanDerWaalsContact CE-CZ 3.48Å; K18-Y26 WeakPolarHBondContact CE-OH 3.39Å; K18-Y26 HydrophobicContact CG-CD1 3.73Å; K18-Y26 HydrophobicContact CG-CE1 3.46Å; K18-Y26 VanDerWaalsContact CG-CE1 3.46Å; K18-Y26 HydrophobicContact CG-CE2 4.37Å; K18-Y26 HydrophobicContact CG-CG 4.31Å; D24-Y26 WeakPolarHBondContact O-CD2 3.22Å; Y26-P28 WeakPolarHBondContact O-CD 3.18Å
27T91.6Very high86.6Confident1 Ų157.4 Ų57.41%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-63.7118.5169.7-59.50000108.4A16 V17 R186 D189 I190A16-T27 CarbonylContact C-O 3.55Å; A16-T27 VanDerWaalsContact CA-O 3.27Å; A16-T27 WeakPolarHBondContact CA-O 3.43Å; V17-T27 PolarHBondContact N-O 2.99Å; V17-T27 PolarHBondContact O-N 3.15Å; T27-R186 HydrophobicContact CG2-CG 3.66Å; T27-D189 VanDerWaalsContact CB-OD2 3.28Å; T27-D189 WeakPolarHBondContact CB-OD2 3.48Å; T27-D189 HydrophobicContact CG2-CB 4.08Å; T27-D189 WeakPolarHBondContact CG2-OD2 3.25Å; T27-D189 PolarHBondContact OG1-OD2 3.32Å; T27-I190 HydrophobicContact CG2-CD1 4.4Å; T27-I190 HydrophobicContact CG2-CG1 3.88Å
28P91.4Very high86.2Confident21 Ų2163.8 Ų63.814%0.13631%0.306CS..PPolyproline II helixtrans-65.5161-175.4-20.832.6000113.1Y25 Y26 E32 L33 V163 R186Y25-P28 WeakPolarHBondContact OH-CD 3.47Å; Y26-P28 WeakPolarHBondContact O-CD 3.18Å; P28-E32 HydrophobicContact CB-CB 3.9Å; P28-L33 HydrophobicContact CB-CD2 3.98Å; P28-L33 HydrophobicContact CB-CG 4.17Å; P28-L33 HydrophobicContact CG-CD2 3.93Å; P28-V163 HydrophobicContact CG-CG2 3.49Å; P28-V163 VanDerWaalsContact CG-CG2 3.49Å; P28-R186 WeakPolarHBondContact O-CD 3.39Å; P28-R186 PolarHBondContact O-NE 3.45Å
29G88Confident85.3Confident1 Ų168.8 Ų68.81%0.0133%0.327CS..PPolyproline II helixtrans-68.5159.5166.800000111.8Y14 F31 E32 L33Y14-G29 WeakPolarHBondContact O-CA 3.39Å; G29-F31 PolarHBondContact O-N 2.7Å; G29-E32 PolarHBondContact O-N 3.47Å; G29-E32 VanDerWaalsContact O-N 3.09Å; G29-L33 PolarHBondContact O-N 3.08Å; G29-L33 VanDerWaalsContact O-N 3.1Å
30A84.5Confident84.6Confident7 Ų770.8 Ų70.86%0.05835%0.353CS..Hα-helixtrans-55.4-38-179.300000113.4A13 L33 E34A13-A30 WeakPolarHBondContact O-CB 3.39Å; A13-A30 PolarHBondContact O-N 3.24Å; A30-L33 PolarHBondContact O-N 3.45Å; A30-E34 WeakPolarHBondContact O-CG 3.28Å; A30-E34 PolarHBondContact O-N 3.5Å; A30-E34 VanDerWaalsContact O-N 3.07Å
31F85.6Confident84.3Confident94 Ų9472.4 Ų72.441%0.41237%0.366SS..Hα-helixtrans-66.8-40177.5-179.9-101.8000113Y14 G29 L33 E34 R35 W38Y14-F31 HydrophobicContact CD1-CB 4.32Å; G29-F31 PolarHBondContact O-N 2.7Å; F31-L33 VanDerWaalsContact C-N 3.31Å; F31-L33 PolarHBondContact O-N 3.39Å; F31-E34 WeakPolarHBondContact O-CB 3.33Å; F31-E34 PolarHBondContact O-N 3.27Å; F31-R35 PolarHBondContact O-N 3.4Å; F31-W38 HydrophobicContact CE1-CH2 4.45Å; F31-W38 AromaticContact CE2-CH2 3.77Å; F31-W38 HydrophobicContact CE2-CH2 3.77Å; F31-W38 HydrophobicContact CE2-CZ2 4.39Å; F31-W38 AromaticContact CZ-CH2 3.64Å; F31-W38 HydrophobicContact CZ-CH2 3.64Å; F31-W38 HydrophobicContact CZ-CZ3 4.3Å
32E87.5Confident84.5Confident86 Ų8670.3 Ų70.340%0.40235%0.352SS..Hα-helixtrans-67.8-34.2177-66.6-56.313700111.5P28 G29 R35 L36P28-E32 HydrophobicContact CB-CB 3.9Å; G29-E32 PolarHBondContact O-N 3.47Å; G29-E32 VanDerWaalsContact O-N 3.09Å; E32-R35 WeakPolarHBondContact O-CB 3.4Å; E32-R35 PolarHBondContact O-N 3.49Å; E32-R35 IonicContact OE2-NH1 3.66Å; E32-L36 PolarHBondContact O-N 3.44Å
33L88.9Confident84.4Confident0 Ų072.2 Ų72.20%035%0.353CS..Hα-helixtrans-63.4-42.6171.3-65.4177.2000111.7P28 G29 A30 F31 R35 L36 F37 V162 V163 I166 R186P28-L33 HydrophobicContact CB-CD2 3.98Å; P28-L33 HydrophobicContact CB-CG 4.17Å; P28-L33 HydrophobicContact CG-CD2 3.93Å; G29-L33 PolarHBondContact O-N 3.08Å; G29-L33 VanDerWaalsContact O-N 3.1Å; A30-L33 PolarHBondContact O-N 3.45Å; F31-L33 VanDerWaalsContact C-N 3.31Å; F31-L33 PolarHBondContact O-N 3.39Å; L33-R35 VanDerWaalsContact C-N 3.26Å; L33-R35 PolarHBondContact O-N 2.93Å; L33-L36 HydrophobicContact CD2-CD1 4.22Å; L33-L36 WeakPolarHBondContact O-CB 3.24Å; L33-L36 PolarHBondContact O-N 2.87Å; L33-F37 WeakPolarHBondContact O-CD2 3.45Å; L33-F37 WeakPolarHBondContact O-CE2 3.45Å; L33-V162 HydrophobicContact CD1-CG2 4.42Å; L33-V162 HydrophobicContact CD2-CG1 3.9Å; L33-V162 HydrophobicContact CD2-CG2 4.27Å; L33-V163 HydrophobicContact CD2-CG2 4.41Å; L33-I166 HydrophobicContact CD2-CD1 4.11Å; L33-R186 HydrophobicContact CD1-CB 4Å
34E87.8Confident84.4Confident31 Ų3176.1 Ų76.115%0.14536%0.363CS..Hα-helixtrans-60-38.6175.4-72.8169.1-152.100111.7A30 F31 L36 F37 R179 L182A30-E34 WeakPolarHBondContact O-CG 3.28Å; A30-E34 PolarHBondContact O-N 3.5Å; A30-E34 VanDerWaalsContact O-N 3.07Å; F31-E34 WeakPolarHBondContact O-CB 3.33Å; F31-E34 PolarHBondContact O-N 3.27Å; E34-L36 PolarHBondContact O-N 2.96Å; E34-F37 WeakPolarHBondContact O-CD2 3.45Å; E34-F37 PolarHBondContact O-N 3.5Å; E34-R179 WeakPolarHBondContact OE1-CG 3.4Å; E34-R179 IonicContact OE1-CZ 3.03Å; E34-R179 IonicContact OE1-NE 3.84Å; E34-R179 PolarHBondContact OE1-NE 3.02Å; E34-R179 IonicContact OE1-NH2 3.07Å; E34-R179 PolarHBondContact OE1-NH2 3.16Å; E34-R179 IonicContact OE2-NE 3.94Å; E34-R179 IonicContact OE2-NH2 3.6Å; E34-L182 HydrophobicContact CG-CD1 3.58Å
35R87.6Confident84.7Confident134 Ų13471.6 Ų71.651%0.50634%0.341SS..Hα-helixtrans-64.6-24.5180-177.9168.8-174.2-157.12.7113.8F31 E32 L33 F37 W38F31-R35 PolarHBondContact O-N 3.4Å; E32-R35 WeakPolarHBondContact O-CB 3.4Å; E32-R35 PolarHBondContact O-N 3.49Å; E32-R35 IonicContact OE2-NH1 3.66Å; L33-R35 VanDerWaalsContact C-N 3.26Å; L33-R35 PolarHBondContact O-N 2.93Å; R35-F37 PolarHBondContact O-N 3.3Å; R35-W38 HydrophobicContact CB-CD2 4.31Å; R35-W38 HydrophobicContact CB-CE3 3.96Å; R35-W38 HydrophobicContact CB-CH2 4.26Å; R35-W38 HydrophobicContact CB-CZ3 3.92Å; R35-W38 HydrophobicContact CG-CD2 4.24Å; R35-W38 HydrophobicContact CG-CE3 3.55Å; R35-W38 HydrophobicContact CG-CZ3 3.7Å; R35-W38 PolarHBondContact O-N 3.04Å; R35-W38 VanDerWaalsContact O-N 3.15Å
36L86.1Confident85.1Confident45 Ų4572 Ų7224%0.23635%0.345CS..G310 helixtrans-60.4-29.3175.8-65.2176.3000112.1E32 L33 E34 W38 V163 I166E32-L36 PolarHBondContact O-N 3.44Å; L33-L36 HydrophobicContact CD2-CD1 4.22Å; L33-L36 WeakPolarHBondContact O-CB 3.24Å; L33-L36 PolarHBondContact O-N 2.87Å; E34-L36 PolarHBondContact O-N 2.96Å; L36-W38 VanDerWaalsContact C-N 3.31Å; L36-W38 PolarHBondContact O-N 3.45Å; L36-V163 HydrophobicContact CD1-CG1 4.35Å; L36-V163 HydrophobicContact CD1-CG2 4.43Å; L36-I166 HydrophobicContact CB-CG2 4.08Å; L36-I166 HydrophobicContact CD1-CB 4.39Å; L36-I166 HydrophobicContact CD1-CD1 4.21Å; L36-I166 HydrophobicContact CD1-CG2 4Å
37F86.1Confident85.4Confident27 Ų2768.8 Ų68.812%0.11834%0.338CS..G310 helixtrans-82.8-3.1-179.1-55.1-72.7000113.9L33 E34 R35 I166 I175 L176 P177 L182L33-F37 WeakPolarHBondContact O-CD2 3.45Å; L33-F37 WeakPolarHBondContact O-CE2 3.45Å; E34-F37 WeakPolarHBondContact O-CD2 3.45Å; E34-F37 PolarHBondContact O-N 3.5Å; R35-F37 PolarHBondContact O-N 3.3Å; F37-I166 HydrophobicContact CD1-CG2 4.47Å; F37-I166 HydrophobicContact CE1-CG2 3.67Å; F37-I166 HydrophobicContact CE2-CD1 4.43Å; F37-I166 HydrophobicContact CZ-CD1 3.96Å; F37-I166 HydrophobicContact CZ-CG1 4.06Å; F37-I166 HydrophobicContact CZ-CG2 3.73Å; F37-I175 HydrophobicContact CD1-CG1 4.45Å; F37-I175 VanDerWaalsContact CD1-O 3.25Å; F37-I175 WeakPolarHBondContact CD1-O 3.04Å; F37-I175 HydrophobicContact CE1-CD1 3.91Å; F37-I175 HydrophobicContact CE1-CG1 3.89Å; F37-L176 HydrophobicContact CB-CD1 3.63Å; F37-L176 HydrophobicContact CD1-CD1 4.4Å; F37-L176 HydrophobicContact CD2-CD1 3.7Å; F37-L176 HydrophobicContact CE2-CD1 4.5Å; F37-L176 HydrophobicContact CG-CD1 3.64Å; F37-P177 HydrophobicContact CZ-CG 4.48Å; F37-L182 HydrophobicContact CE2-CD1 4.05Å; F37-L182 HydrophobicContact CE2-CD2 3.82Å; F37-L182 HydrophobicContact CZ-CD2 4.09Å
38W79.9Confident85.7Confident155 Ų15570.2 Ų70.259%0.58735%0.345SS*.G310 helixtrans-85-8.5-178-60.4-13.6000114F31 R35 L36 G40F31-W38 HydrophobicContact CE1-CH2 4.45Å; F31-W38 AromaticContact CE2-CH2 3.77Å; F31-W38 HydrophobicContact CE2-CH2 3.77Å; F31-W38 HydrophobicContact CE2-CZ2 4.39Å; F31-W38 AromaticContact CZ-CH2 3.64Å; F31-W38 HydrophobicContact CZ-CH2 3.64Å; F31-W38 HydrophobicContact CZ-CZ3 4.3Å; R35-W38 HydrophobicContact CB-CD2 4.31Å; R35-W38 HydrophobicContact CB-CE3 3.96Å; R35-W38 HydrophobicContact CB-CH2 4.26Å; R35-W38 HydrophobicContact CB-CZ3 3.92Å; R35-W38 HydrophobicContact CG-CD2 4.24Å; R35-W38 HydrophobicContact CG-CE3 3.55Å; R35-W38 HydrophobicContact CG-CZ3 3.7Å; R35-W38 PolarHBondContact O-N 3.04Å; R35-W38 VanDerWaalsContact O-N 3.15Å; L36-W38 VanDerWaalsContact C-N 3.31Å; L36-W38 PolarHBondContact O-N 3.45Å; W38-G40 PolarHBondContact O-N 3.03Å; W38-G40 VanDerWaalsContact O-N 3.08Å
39K70.7Confident86Confident184 Ų18472.9 Ų72.980%0.836%0.356SS*.SBendtrans-82.426-173.7-67-174.4178.4176.80114.8
40G68.5Low86.5Confident64 Ų6472.9 Ų72.966%0.6636%0.356SS*.  trans81.9158.3-175.100000112.4W38W38-G40 PolarHBondContact O-N 3.03Å; W38-G40 VanDerWaalsContact O-N 3.08Å
41C77.4Confident87.2Confident69 Ų6975.8 Ų75.847%0.46637%0.365SS..  trans-122.7145.2-175.1-113.80000111C174C41-C174 HydrophobicContact CB-CB 3.66Å; C41-C174 WeakPolarHBondContact CB-SG 3.19Å; C41-C174 WeakPolarHBondContact SG-CA 3.48Å; C41-C174 WeakPolarHBondContact SG-CB 3.3Å; C41-C174 CovalentContact SG-SG 2.02Å; C41-C174 PolarHBondContact SG-SG 3.24Å
42P83.1Confident87.8Confident43 Ų4375.2 Ų75.228%0.27937%0.371SS..PPolyproline II helixtrans-54.7156.2162.2-21.532.7000110.9Y44 S170 R171P42-Y44 PolarHBondContact O-N 3.21Å; P42-S170 WeakPolarHBondContact CD-O 3.42Å; P42-S170 WeakPolarHBondContact CG-O 3.34Å; P42-R171 WeakPolarHBondContact CG-O 3.41Å
43K80.3Confident88.3Confident192 Ų19273.3 Ų73.384%0.83536%0.364SS*.PPolyproline II helixtrans-54.5132.7175.6-71.1-175.9-179.91790109.8T45K43-T45 PolarHBondContact O-N 2.79Å
44Y80.1Confident88.8Confident101 Ų10173.3 Ų73.340%0.39636%0.364SS..PPolyproline II helixtrans-71.6116.1177.8-173.6-89.4000109.8P42 M141 R143P42-Y44 PolarHBondContact O-N 3.21Å; Y44-M141 PolarHBondContact OH-O 3.27Å; Y44-R143 HydrophobicContact CE2-CG 3.89Å
45T93Very high89.3Confident61 Ų6173.5 Ų73.537%0.37436%0.363SS..  trans-118.1162.1169.855.70000109.7K43 V47 N48 R173K43-T45 PolarHBondContact O-N 2.79Å; T45-V47 VanDerWaalsContact C-N 3.25Å; T45-V47 PolarHBondContact O-N 3Å; T45-V47 PolarHBondContact OG1-O 2.96Å; T45-N48 VanDerWaalsContact OG1-CG 3.24Å; T45-N48 PolarHBondContact OG1-ND2 3.5Å; T45-N48 PolarHBondContact OG1-OD1 3.43Å; T45-N48 VanDerWaalsContact OG1-OD1 3.05Å; T45-R173 PolarHBondContact O-NH1 2.97Å
46H96.8Very high89.8Confident81 Ų8167.1 Ų67.138%0.37534%0.339SS..SBendtrans-59-39.5-178.8-69.4-56.5000112.1G57 D58 K60 T61 R173H46-G57 CarbonylContact O-C 3.46Å; H46-G57 VanDerWaalsContact O-CA 3.29Å; H46-G57 WeakPolarHBondContact O-CA 3.3Å; H46-D58 WeakPolarHBondContact CA-OD2 2.82Å; H46-D58 IonicContact CE1-OD2 2.88Å; H46-D58 IonicContact CG-OD1 3.54Å; H46-D58 IonicContact CG-OD2 3.97Å; H46-D58 IonicContact ND1-OD1 3.87Å; H46-D58 IonicContact ND1-OD2 3.88Å; H46-D58 PolarHBondContact ND1-OD2 3.22Å; H46-D58 PolarHBondContact O-N 2.94Å; H46-K60 WeakPolarHBondContact CE1-CD 3.42Å; H46-K60 WeakPolarHBondContact NE2-CD 3.45Å; H46-K60 PolarHBondContact NE2-NZ 3.38Å; H46-T61 VanDerWaalsContact C-OG1 3.28Å; H46-T61 WeakPolarHBondContact CB-OG1 3.27Å; H46-T61 PolarHBondContact O-OG1 3.43Å; H46-R173 PolarHBondContact O-NH1 3.26Å; H46-R173 PolarHBondContact O-NH2 2.98Å
47V97.9Very high90.4Very high48 Ų4865 Ų6529%0.29133%0.328SS..EExtended strand (participates in β ladder)trans-139.2149.9177.964.60000111.3T45 Y55 I56 T61 L136T45-V47 VanDerWaalsContact C-N 3.25Å; T45-V47 PolarHBondContact O-N 3Å; T45-V47 PolarHBondContact OG1-O 2.96Å; V47-Y55 HydrophobicContact CG2-CD1 4.06Å; V47-Y55 HydrophobicContact CG2-CG 4.45Å; V47-I56 WeakPolarHBondContact CA-O 3.41Å; V47-T61 HydrophobicContact CB-CG2 3.73Å; V47-T61 HydrophobicContact CG1-CG2 4.1Å; V47-T61 HydrophobicContact CG2-CG2 4.05Å; V47-L136 HydrophobicContact CG2-CD1 4.04Å
48N98.1Very high91Very high31 Ų3164.2 Ų64.217%0.16633%0.325CS..EExtended strand (participates in β ladder)trans-141.8141.9171.7-60.195.4000110T45 V50 Y55 I56 H172 R173T45-N48 VanDerWaalsContact OG1-CG 3.24Å; T45-N48 PolarHBondContact OG1-ND2 3.5Å; T45-N48 PolarHBondContact OG1-OD1 3.43Å; T45-N48 VanDerWaalsContact OG1-OD1 3.05Å; N48-V50 HydrophobicContact CB-CG1 4.29Å; N48-Y55 CarbonylContact O-C 3.59Å; N48-Y55 VanDerWaalsContact O-CA 3.24Å; N48-Y55 WeakPolarHBondContact O-CA 3.24Å; N48-I56 PolarHBondContact N-O 3.1Å; N48-I56 PolarHBondContact O-N 2.93Å; N48-H172 VanDerWaalsContact CG-O 3.32Å; N48-H172 PolarHBondContact ND2-O 3.2Å; N48-R173 HydrophobicContact CB-CB 4.03Å; N48-R173 HydrophobicContact CB-CG 4.41Å; N48-R173 WeakPolarHBondContact OD1-CG 3.38Å; N48-R173 PolarHBondContact OD1-NH1 2.84Å
49E98.2Very high91.9Very high77 Ų7760.5 Ų60.536%0.3631%0.314SS..EExtended strand (participates in β ladder)trans-73.1125.6161.5-164.8165-176.600108.7W51 P52 N53 Y55 H172E49-W51 VanDerWaalsContact CG-O 3.29Å; E49-W51 WeakPolarHBondContact CG-O 3.33Å; E49-P52 WeakPolarHBondContact OE1-CA 3.49Å; E49-N53 PolarHBondContact OE1-N 3.3Å; E49-Y55 HydrophobicContact CB-CD1 3.79Å; E49-Y55 HydrophobicContact CB-CE1 3.45Å; E49-Y55 VanDerWaalsContact CB-CE1 3.45Å; E49-Y55 HydrophobicContact CB-CE2 4.3Å; E49-Y55 HydrophobicContact CB-CG 4.38Å; E49-Y55 VanDerWaalsContact CD-CZ 3.47Å; E49-Y55 HydrophobicContact CG-CD1 4.38Å; E49-Y55 HydrophobicContact CG-CD2 4.37Å; E49-Y55 HydrophobicContact CG-CE1 3.97Å; E49-Y55 HydrophobicContact CG-CE2 3.9Å; E49-Y55 VanDerWaalsContact OE2-CZ 3.31Å; E49-Y55 PolarHBondContact OE2-OH 3.44Å; E49-H172 WeakPolarHBondContact O-CB 3.46Å
50V98.2Very high93.2Very high1 Ų158 Ų581%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-116.6-11.9-176.4-56.60000112.6N48 L54 I56 V150 Q168 V169 H172 R173N48-V50 HydrophobicContact CB-CG1 4.29Å; V50-L54 PolarHBondContact N-O 3.07Å; V50-I56 HydrophobicContact CG1-CB 4.37Å; V50-I56 HydrophobicContact CG1-CD1 4.07Å; V50-I56 HydrophobicContact CG1-CG1 4.22Å; V50-I56 HydrophobicContact CG2-CD1 3.86Å; V50-I56 HydrophobicContact CG2-CG1 3.88Å; V50-V150 HydrophobicContact CG2-CG1 3.93Å; V50-Q168 PolarHBondContact O-NE2 3.4Å; V50-V169 HydrophobicContact CB-CG1 4.15Å; V50-V169 HydrophobicContact CB-CG2 4.42Å; V50-V169 HydrophobicContact CG1-CG1 4.11Å; V50-V169 HydrophobicContact CG2-CG1 4.43Å; V50-V169 HydrophobicContact CG2-CG2 4.36Å; V50-H172 HydrophobicContact CB-CB 4.32Å; V50-H172 HydrophobicContact CG1-CB 4.03Å; V50-R173 HydrophobicContact CG1-CB 3.9Å
51W98.5Very high94.6Very high68 Ų6855.7 Ų55.726%0.25828%0.276SS..EExtended strand (participates in β ladder)trans-157.7152.6174.1-179.1-92.6000107.2E49 N53 L54 L154 K158 M160 Q168E49-W51 VanDerWaalsContact CG-O 3.29Å; E49-W51 WeakPolarHBondContact CG-O 3.33Å; W51-N53 PolarHBondContact O-N 3.21Å; W51-N53 VanDerWaalsContact O-N 3.14Å; W51-L54 HydrophobicContact CB-CB 4.07Å; W51-L54 HydrophobicContact CB-CD2 4.25Å; W51-L54 PolarHBondContact N-O 3.47Å; W51-L54 PolarHBondContact O-N 3.37Å; W51-L54 VanDerWaalsContact O-O 3.1Å; W51-L154 HydrophobicContact CB-CD2 4.34Å; W51-L154 HydrophobicContact CD2-CD2 3.81Å; W51-L154 HydrophobicContact CE3-CD2 3.98Å; W51-L154 HydrophobicContact CG-CD2 3.98Å; W51-K158 HydrophobicContact CZ2-CD 4.23Å; W51-K158 HydrophobicContact CZ2-CG 4.19Å; W51-M160 HydrophobicContact CE3-CE 4.16Å; W51-M160 HydrophobicContact CH2-CE 3.85Å; W51-M160 HydrophobicContact CZ3-CE 3.42Å; W51-M160 VanDerWaalsContact CZ3-CE 3.42Å; W51-Q168 HydrophobicContact CE3-CG 4Å; W51-Q168 HydrophobicContact CZ3-CG 4.39Å
52P98.4Very high95.5Very high82 Ų8252.4 Ų52.453%0.53225%0.254SS..THydrogen-bonded Turntrans-45.8122.7-179.4-32.936.7000113E49 L54E49-P52 WeakPolarHBondContact OE1-CA 3.49Å; P52-L54 PolarHBondContact O-N 3.24Å; P52-L54 VanDerWaalsContact O-N 3.13Å
53N98.6Very high96.3Very high46 Ų4653.9 Ų53.925%0.24626%0.259CS..THydrogen-bonded Turntrans61.49.5-178-69.9-31.2000116.4E49 W51 L128 E131 N133 V135E49-N53 PolarHBondContact OE1-N 3.3Å; W51-N53 PolarHBondContact O-N 3.21Å; W51-N53 VanDerWaalsContact O-N 3.14Å; N53-L128 HydrophobicContact CB-CD2 3.62Å; N53-E131 PolarHBondContact ND2-O 3.13Å; N53-N133 VanDerWaalsContact CB-O 3.28Å; N53-N133 WeakPolarHBondContact CB-O 3.39Å; N53-V135 PolarHBondContact O-N 3.27Å
54L98.9Very high97.1Very high0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-118.6118.8-179.5-179.961000111.3V50 W51 P52 I124 L128 V135 V137 V150 Y153V50-L54 PolarHBondContact N-O 3.07Å; W51-L54 HydrophobicContact CB-CB 4.07Å; W51-L54 HydrophobicContact CB-CD2 4.25Å; W51-L54 PolarHBondContact N-O 3.47Å; W51-L54 PolarHBondContact O-N 3.37Å; W51-L54 VanDerWaalsContact O-O 3.1Å; P52-L54 PolarHBondContact O-N 3.24Å; P52-L54 VanDerWaalsContact O-N 3.13Å; L54-I124 HydrophobicContact CD1-CG2 3.82Å; L54-I124 HydrophobicContact CD2-CG2 3.99Å; L54-L128 HydrophobicContact CB-CD1 4.13Å; L54-L128 HydrophobicContact CD2-CD1 4.45Å; L54-V135 HydrophobicContact CD1-CB 3.89Å; L54-V135 HydrophobicContact CD1-CG1 3.9Å; L54-V137 HydrophobicContact CD1-CG2 3.72Å; L54-V150 HydrophobicContact CD2-CG1 3.9Å; L54-V150 HydrophobicContact CD2-CG2 4.41Å; L54-Y153 HydrophobicContact CD2-CD1 3.58Å; L54-Y153 HydrophobicContact CD2-CE1 3.49Å; L54-Y153 VanDerWaalsContact CD2-CE1 3.49Å
55Y98.8Very high97.9Very high35 Ų3546.8 Ų46.814%0.13723%0.232CC..EExtended strand (participates in β ladder)trans-116.6142.3-172-64.8-107.5000111V47 N48 E49 F73 K134 V135 V137V47-Y55 HydrophobicContact CG2-CD1 4.06Å; V47-Y55 HydrophobicContact CG2-CG 4.45Å; N48-Y55 CarbonylContact O-C 3.59Å; N48-Y55 VanDerWaalsContact O-CA 3.24Å; N48-Y55 WeakPolarHBondContact O-CA 3.24Å; E49-Y55 HydrophobicContact CB-CD1 3.79Å; E49-Y55 HydrophobicContact CB-CE1 3.45Å; E49-Y55 VanDerWaalsContact CB-CE1 3.45Å; E49-Y55 HydrophobicContact CB-CE2 4.3Å; E49-Y55 HydrophobicContact CB-CG 4.38Å; E49-Y55 VanDerWaalsContact CD-CZ 3.47Å; E49-Y55 HydrophobicContact CG-CD1 4.38Å; E49-Y55 HydrophobicContact CG-CD2 4.37Å; E49-Y55 HydrophobicContact CG-CE1 3.97Å; E49-Y55 HydrophobicContact CG-CE2 3.9Å; E49-Y55 VanDerWaalsContact OE2-CZ 3.31Å; E49-Y55 PolarHBondContact OE2-OH 3.44Å; Y55-F73 HydrophobicContact CD1-CZ 4.08Å; Y55-F73 AromaticContact CD2-CE1 3.76Å; Y55-F73 HydrophobicContact CD2-CE1 3.76Å; Y55-F73 HydrophobicContact CD2-CZ 4.1Å; Y55-F73 AromaticContact CG-CE1 3.8Å; Y55-F73 HydrophobicContact CG-CE1 3.8Å; Y55-F73 AromaticContact CG-CZ 3.79Å; Y55-F73 HydrophobicContact CG-CZ 3.79Å; Y55-K134 HydrophobicContact CD2-CD 4.03Å; Y55-K134 HydrophobicContact CD2-CG 3.67Å; Y55-K134 HydrophobicContact CE2-CD 3.5Å; Y55-K134 HydrophobicContact CE2-CG 3.4Å; Y55-K134 VanDerWaalsContact CE2-CG 3.4Å; Y55-V135 PolarHBondContact N-O 3.46Å; Y55-V137 PolarHBondContact O-N 3.41Å
56I98.8Very high98.1Very high0 Ų051.1 Ų51.10%024%0.242CC..EExtended strand (participates in β ladder)trans-107.8126.5165.9-61.8172.7000108.8V47 N48 V50 V137 G142 A147 V150 V169 R173 I175V47-I56 WeakPolarHBondContact CA-O 3.41Å; N48-I56 PolarHBondContact N-O 3.1Å; N48-I56 PolarHBondContact O-N 2.93Å; V50-I56 HydrophobicContact CG1-CB 4.37Å; V50-I56 HydrophobicContact CG1-CD1 4.07Å; V50-I56 HydrophobicContact CG1-CG1 4.22Å; V50-I56 HydrophobicContact CG2-CD1 3.86Å; V50-I56 HydrophobicContact CG2-CG1 3.88Å; I56-V137 VanDerWaalsContact CA-O 3.3Å; I56-V137 WeakPolarHBondContact CA-O 3.5Å; I56-G142 VanDerWaalsContact CG2-O 3.26Å; I56-G142 WeakPolarHBondContact CG2-O 3.11Å; I56-A147 HydrophobicContact CD1-CB 4.33Å; I56-V150 HydrophobicContact CD1-CB 3.97Å; I56-V150 HydrophobicContact CD1-CG1 4.09Å; I56-V150 HydrophobicContact CD1-CG2 4.02Å; I56-V150 HydrophobicContact CG1-CB 4.3Å; I56-V150 HydrophobicContact CG1-CG1 4.48Å; I56-V150 HydrophobicContact CG1-CG2 3.78Å; I56-V169 HydrophobicContact CD1-CG1 3.66Å; I56-R173 PolarHBondContact O-NH1 3.37Å; I56-I175 HydrophobicContact CD1-CG2 4.48Å
57G98.4Very high98.1Very high0 Ų049.6 Ų49.60%024%0.24CC..EExtended strand (participates in β ladder)trans-128.6171.517900000114.4H46 V137 H138 G142H46-G57 CarbonylContact O-C 3.46Å; H46-G57 VanDerWaalsContact O-CA 3.29Å; H46-G57 WeakPolarHBondContact O-CA 3.3Å; G57-V137 PolarHBondContact N-O 3.41Å; G57-H138 VanDerWaalsContact O-CA 3.3Å; G57-H138 WeakPolarHBondContact O-CA 3.44Å; G57-H138 WeakPolarHBondContact O-CB 3.48Å; G57-G142 WeakPolarHBondContact O-CA 3.35Å; G57-G142 PolarHBondContact O-N 3.16Å
58D98.3Very high98.1Very high11 Ų1147.4 Ų47.46%0.05923%0.227CC..  trans-100.1178.7170.865.47000112.4H46 K60 T61 A62 C139 A140H46-D58 WeakPolarHBondContact CA-OD2 2.82Å; H46-D58 IonicContact CE1-OD2 2.88Å; H46-D58 IonicContact CG-OD1 3.54Å; H46-D58 IonicContact CG-OD2 3.97Å; H46-D58 IonicContact ND1-OD1 3.87Å; H46-D58 IonicContact ND1-OD2 3.88Å; H46-D58 PolarHBondContact ND1-OD2 3.22Å; H46-D58 PolarHBondContact O-N 2.94Å; D58-K60 VanDerWaalsContact C-N 3.28Å; D58-K60 PolarHBondContact O-N 3.34Å; D58-K60 PolarHBondContact OD1-N 3.03Å; D58-T61 WeakPolarHBondContact O-CB 3.32Å; D58-T61 PolarHBondContact O-N 3.03Å; D58-T61 PolarHBondContact OD1-N 3.27Å; D58-T61 PolarHBondContact OD1-OG1 2.9Å; D58-A62 PolarHBondContact O-N 3.04Å; D58-A62 VanDerWaalsContact O-N 3.17Å; D58-C139 CarbonylContact C-O 3.53Å; D58-A140 WeakPolarHBondContact CB-O 3.22Å
59E98.4Very high98Very high77 Ų7751.8 Ų51.836%0.3625%0.247SC..Hα-helixtrans-58.7-40179.4174.1174-154.900112.2T61 A62 L63 V86 C139 A140E59-T61 VanDerWaalsContact C-N 3.26Å; E59-T61 PolarHBondContact O-N 3.07Å; E59-A62 WeakPolarHBondContact O-CB 2.85Å; E59-A62 PolarHBondContact O-N 2.85Å; E59-L63 HydrophobicContact CG-CD1 3.7Å; E59-L63 HydrophobicContact CG-CG 4.13Å; E59-L63 WeakPolarHBondContact O-CG 3.28Å; E59-L63 PolarHBondContact O-N 3.3Å; E59-V86 HydrophobicContact CB-CG2 4.12Å; E59-V86 HydrophobicContact CG-CG1 3.97Å; E59-V86 HydrophobicContact CG-CG2 4.03Å; E59-C139 PolarHBondContact N-O 3.46Å; E59-C139 VanDerWaalsContact N-O 3.12Å; E59-A140 PolarHBondContact N-O 2.84Å
60K97.9Very high97.9Very high132 Ų13255.3 Ų55.357%0.57426%0.261SS*.Hα-helixtrans-59.8-40.3178.6-171.5-173.9176.4-177.60111.5H46 D58 D64H46-K60 WeakPolarHBondContact CE1-CD 3.42Å; H46-K60 WeakPolarHBondContact NE2-CD 3.45Å; H46-K60 PolarHBondContact NE2-NZ 3.38Å; D58-K60 VanDerWaalsContact C-N 3.28Å; D58-K60 PolarHBondContact O-N 3.34Å; D58-K60 PolarHBondContact OD1-N 3.03Å; K60-D64 PolarHBondContact O-N 3.43Å
61T97.9Very high97.8Very high15 Ų1558.4 Ų58.49%0.09228%0.28CS..Hα-helixtrans-61.8-45.2173.9-51.20000111.1H46 V47 D58 E59 L63 D64 L68 L136H46-T61 VanDerWaalsContact C-OG1 3.28Å; H46-T61 WeakPolarHBondContact CB-OG1 3.27Å; H46-T61 PolarHBondContact O-OG1 3.43Å; V47-T61 HydrophobicContact CB-CG2 3.73Å; V47-T61 HydrophobicContact CG1-CG2 4.1Å; V47-T61 HydrophobicContact CG2-CG2 4.05Å; D58-T61 WeakPolarHBondContact O-CB 3.32Å; D58-T61 PolarHBondContact O-N 3.03Å; D58-T61 PolarHBondContact OD1-N 3.27Å; D58-T61 PolarHBondContact OD1-OG1 2.9Å; E59-T61 VanDerWaalsContact C-N 3.26Å; E59-T61 PolarHBondContact O-N 3.07Å; T61-L63 VanDerWaalsContact C-N 3.31Å; T61-L63 PolarHBondContact O-N 3.43Å; T61-D64 PolarHBondContact O-N 3.36Å; T61-L68 HydrophobicContact CG2-CD2 4.35Å; T61-L136 HydrophobicContact CG2-CD1 4.31Å; T61-L136 HydrophobicContact CG2-CD2 4.13Å
62A97.9Very high97.8Very high0 Ų056.9 Ų56.90%029%0.285CS..Hα-helixtrans-67.6-29.2-177.500000113.8D58 E59 Y93 H138D58-A62 PolarHBondContact O-N 3.04Å; D58-A62 VanDerWaalsContact O-N 3.17Å; E59-A62 WeakPolarHBondContact O-CB 2.85Å; E59-A62 PolarHBondContact O-N 2.85Å; A62-Y93 WeakPolarHBondContact O-CE1 3.14Å; A62-Y93 PolarHBondContact O-OH 2.93Å; A62-H138 HydrophobicContact CB-CB 4.44Å; A62-H138 WeakPolarHBondContact CB-CE1 3.48Å; A62-H138 WeakPolarHBondContact CB-ND1 3.34Å
63L98Very high97.8Very high74 Ų7453.7 Ų53.739%0.38726%0.263SS..Hα-helixtrans-85.9-10.1177.6-65.3176.9000113.5E59 T61 R65 T88 Y92E59-L63 HydrophobicContact CG-CD1 3.7Å; E59-L63 HydrophobicContact CG-CG 4.13Å; E59-L63 WeakPolarHBondContact O-CG 3.28Å; E59-L63 PolarHBondContact O-N 3.3Å; T61-L63 VanDerWaalsContact C-N 3.31Å; T61-L63 PolarHBondContact O-N 3.43Å; L63-R65 PolarHBondContact O-N 3.39Å; L63-T88 HydrophobicContact CD2-CG2 3.7Å; L63-Y92 WeakPolarHBondContact CA-OH 3.39Å; L63-Y92 HydrophobicContact CD2-CE1 4.19Å; L63-Y92 HydrophobicContact CD2-CE2 4.07Å; L63-Y92 PolarHBondContact O-OH 3.36Å
64D97.9Very high97.8Very high67 Ų6753 Ų5336%0.35826%0.26SS..  trans-90.973.8177.9-170.8-10.1000111.2K60 T61 Y66 S67 L68K60-D64 PolarHBondContact O-N 3.43Å; T61-D64 PolarHBondContact O-N 3.36Å; D64-Y66 PolarHBondContact O-N 2.91Å; D64-Y66 PolarHBondContact OD1-N 2.89Å; D64-S67 PolarHBondContact O-N 3.39Å; D64-S67 VanDerWaalsContact O-N 3.15Å; D64-S67 PolarHBondContact OD1-N 3.26Å; D64-S67 PolarHBondContact OD1-OG 3.07Å; D64-S67 WeakPolarHBondContact OD2-CB 3.41Å; D64-S67 PolarHBondContact OD2-OG 3.16Å; D64-L68 VanDerWaalsContact O-CG 3.32Å; D64-L68 WeakPolarHBondContact O-CG 3.47Å; D64-L68 PolarHBondContact O-N 2.88Å
65R97.6Very high97.8Very high76 Ų7653.6 Ų53.629%0.28726%0.263SS..Hα-helixtrans-52.5-40179.6-71.2176.957.8-177.3-4.9113.1L63 L68 E69 Y92 Y93 D95 M96L63-R65 PolarHBondContact O-N 3.39Å; R65-L68 PolarHBondContact O-N 3.34Å; R65-E69 WeakPolarHBondContact O-CB 3.42Å; R65-E69 PolarHBondContact O-N 2.88Å; R65-Y92 WeakPolarHBondContact CD-O 3.41Å; R65-Y92 HydrophobicContact CG-CD1 4.22Å; R65-Y92 HydrophobicContact CG-CE1 3.55Å; R65-Y92 PolarHBondContact NE-O 3.48Å; R65-Y92 PolarHBondContact NH1-O 2.98Å; R65-Y93 HydrophobicContact CG-CD1 4.4Å; R65-D95 IonicContact CZ-OD2 2.71Å; R65-D95 IonicContact NH1-OD2 2.73Å; R65-D95 IonicContact NH2-OD2 3.76Å; R65-D95 PolarHBondContact NH2-OD2 2.88Å; R65-M96 HydrophobicContact CB-SD 3.79Å; R65-M96 HydrophobicContact CG-SD 3.81Å
66Y97Very high97.8Very high153 Ų15351.9 Ų51.960%0.626%0.257SS*.Hα-helixtrans-62.2-49.1179173.2-97.2000111.4D64 L68 E69 K70D64-Y66 PolarHBondContact O-N 2.91Å; D64-Y66 PolarHBondContact OD1-N 2.89Å; Y66-L68 VanDerWaalsContact C-N 3.33Å; Y66-L68 PolarHBondContact O-N 2.91Å; Y66-E69 PolarHBondContact O-N 3.49Å; Y66-K70 HydrophobicContact CE1-CD 3.89Å; Y66-K70 VanDerWaalsContact O-CB 3.22Å; Y66-K70 WeakPolarHBondContact O-CB 3.32Å; Y66-K70 PolarHBondContact O-N 3.43Å
67S96.8Very high97.8Very high48 Ų4851.9 Ų51.934%0.33626%0.257SS..Hα-helixtrans-65.7-37.9177.3-67.80000111.9D64 T71D64-S67 PolarHBondContact O-N 3.39Å; D64-S67 VanDerWaalsContact O-N 3.15Å; D64-S67 PolarHBondContact OD1-N 3.26Å; D64-S67 PolarHBondContact OD1-OG 3.07Å; D64-S67 WeakPolarHBondContact OD2-CB 3.41Å; D64-S67 PolarHBondContact OD2-OG 3.16Å; S67-T71 WeakPolarHBondContact O-CB 3.23Å; S67-T71 VanDerWaalsContact O-CG2 3.28Å; S67-T71 WeakPolarHBondContact O-CG2 3.33Å; S67-T71 PolarHBondContact O-N 2.95Å; S67-T71 PolarHBondContact O-OG1 3.14Å
68L97.6Very high97.8Very high2 Ų251.9 Ų51.91%0.0126%0.257CS..Hα-helixtrans-60.9-46.3177.4-70.4175.1000112.1T61 D64 R65 Y66 T71 G72 F73 I76 Y93 M96 L136T61-L68 HydrophobicContact CG2-CD2 4.35Å; D64-L68 VanDerWaalsContact O-CG 3.32Å; D64-L68 WeakPolarHBondContact O-CG 3.47Å; D64-L68 PolarHBondContact O-N 2.88Å; R65-L68 PolarHBondContact O-N 3.34Å; Y66-L68 VanDerWaalsContact C-N 3.33Å; Y66-L68 PolarHBondContact O-N 2.91Å; L68-T71 PolarHBondContact O-OG1 3.45Å; L68-G72 PolarHBondContact O-N 2.91Å; L68-F73 HydrophobicContact CB-CD2 4.38Å; L68-F73 HydrophobicContact CD2-CB 4.39Å; L68-F73 HydrophobicContact CD2-CD2 3.5Å; L68-F73 HydrophobicContact CD2-CE2 3.92Å; L68-F73 HydrophobicContact CD2-CG 4.02Å; L68-F73 PolarHBondContact O-N 3.06Å; L68-I76 HydrophobicContact CD1-CD1 4.04Å; L68-Y93 HydrophobicContact CD1-CE1 3.75Å; L68-M96 HydrophobicContact CB-CE 3.66Å; L68-L136 HydrophobicContact CD2-CD2 3.61Å
69E96Very high97.8Very high123 Ų12351.4 Ų51.458%0.57525%0.254SS*.Hα-helixtrans-68.2-47.7178.1-175.1173.6-155.100111.5R65 Y66 T71 G72 M96R65-E69 WeakPolarHBondContact O-CB 3.42Å; R65-E69 PolarHBondContact O-N 2.88Å; Y66-E69 PolarHBondContact O-N 3.49Å; E69-T71 PolarHBondContact O-N 3.38Å; E69-G72 PolarHBondContact O-N 3.14Å; E69-M96 HydrophobicContact CB-CE 4.07Å
70K96.8Very high97.8Very high151 Ų15147.7 Ų47.766%0.65724%0.237SC*.Hα-helixtrans-59-34178.9-176.8178.7-177.9176.40113Y66 G72Y66-K70 HydrophobicContact CE1-CD 3.89Å; Y66-K70 VanDerWaalsContact O-CB 3.22Å; Y66-K70 WeakPolarHBondContact O-CB 3.32Å; Y66-K70 PolarHBondContact O-N 3.43Å; K70-G72 VanDerWaalsContact C-N 3.34Å
71T95.8Very high97.7Very high67 Ų6744 Ų4441%0.41122%0.221SC..THydrogen-bonded Turntrans-87.3-4.8178.555.60000113.3S67 L68 E69 F73 K134S67-T71 WeakPolarHBondContact O-CB 3.23Å; S67-T71 VanDerWaalsContact O-CG2 3.28Å; S67-T71 WeakPolarHBondContact O-CG2 3.33Å; S67-T71 PolarHBondContact O-N 2.95Å; S67-T71 PolarHBondContact O-OG1 3.14Å; L68-T71 PolarHBondContact O-OG1 3.45Å; E69-T71 PolarHBondContact O-N 3.38Å; T71-F73 WeakPolarHBondContact OG1-CD2 3.44Å; T71-F73 VanDerWaalsContact OG1-CE2 3.26Å; T71-F73 WeakPolarHBondContact OG1-CE2 3.2Å; T71-K134 PolarHBondContact O-NZ 2.86Å
72G97.2Very high97.5Very high36 Ų3643.6 Ų43.637%0.37122%0.22SC..THydrogen-bonded Turntrans74.536.7175.200000113.9L68 E69 K70 K134L68-G72 PolarHBondContact O-N 2.91Å; E69-G72 PolarHBondContact O-N 3.14Å; K70-G72 VanDerWaalsContact C-N 3.34Å; G72-K134 WeakPolarHBondContact O-CB 3.41Å
73F98.4Very high97.1Very high15 Ų1551.7 Ų51.77%0.06626%0.258CS..  trans-65.6136.9168.5-78.2-78.7000110.5Y55 L68 T71 V98 K134 L136Y55-F73 HydrophobicContact CD1-CZ 4.08Å; Y55-F73 AromaticContact CD2-CE1 3.76Å; Y55-F73 HydrophobicContact CD2-CE1 3.76Å; Y55-F73 HydrophobicContact CD2-CZ 4.1Å; Y55-F73 AromaticContact CG-CE1 3.8Å; Y55-F73 HydrophobicContact CG-CE1 3.8Å; Y55-F73 AromaticContact CG-CZ 3.79Å; Y55-F73 HydrophobicContact CG-CZ 3.79Å; L68-F73 HydrophobicContact CB-CD2 4.38Å; L68-F73 HydrophobicContact CD2-CB 4.39Å; L68-F73 HydrophobicContact CD2-CD2 3.5Å; L68-F73 HydrophobicContact CD2-CE2 3.92Å; L68-F73 HydrophobicContact CD2-CG 4.02Å; L68-F73 PolarHBondContact O-N 3.06Å; T71-F73 WeakPolarHBondContact OG1-CD2 3.44Å; T71-F73 VanDerWaalsContact OG1-CE2 3.26Å; T71-F73 WeakPolarHBondContact OG1-CE2 3.2Å; F73-V98 WeakPolarHBondContact O-CG1 3.45Å; F73-K134 HydrophobicContact CD1-CB 4.26Å; F73-K134 HydrophobicContact CD1-CD 3.86Å; F73-K134 HydrophobicContact CD1-CG 3.64Å; F73-K134 HydrophobicContact CD2-CD 4.38Å; F73-K134 HydrophobicContact CE1-CD 3.7Å; F73-K134 HydrophobicContact CE1-CG 3.61Å; F73-K134 HydrophobicContact CE2-CD 4.27Å; F73-K134 HydrophobicContact CG-CD 4.22Å; F73-K134 HydrophobicContact CG-CG 4.37Å; F73-K134 HydrophobicContact CZ-CD 3.93Å; F73-K134 HydrophobicContact CZ-CG 4.34Å; F73-L136 HydrophobicContact CD1-CB 3.63Å; F73-L136 HydrophobicContact CE1-CB 3.62Å; F73-L136 HydrophobicContact CE1-CD1 4.44Å; F73-L136 HydrophobicContact CG-CB 4.38Å; F73-L136 HydrophobicContact CZ-CB 4.35Å
74T98.6Very high96.7Very high31 Ų3158.4 Ų58.419%0.1928%0.278CS..  trans-118-22.3-176.656.30000112.2V98 E99 N133 K134T74-V98 CarbonylContact O-C 3.56Å; T74-V98 VanDerWaalsContact O-CA 3.23Å; T74-V98 WeakPolarHBondContact O-CA 3.27Å; T74-E99 PolarHBondContact O-N 3.15Å; T74-N133 WeakPolarHBondContact OG1-CA 3.34Å; T74-N133 WeakPolarHBondContact OG1-CB 3.49Å; T74-K134 PolarHBondContact N-O 3.1Å; T74-K134 PolarHBondContact OG1-N 3.4Å; T74-K134 PolarHBondContact OG1-O 2.89Å
75H98.8Very high96.5Very high12 Ų1257.4 Ų57.46%0.05627%0.273CS..EExtended strand (participates in β ladder)trans-139.4135.5-176-6775.2000109.4E99 F123 A127 N133 K134 V135 L136H75-E99 CarbonylContact C-O 3.53Å; H75-E99 WeakPolarHBondContact CA-O 3.23Å; H75-E99 IonicContact CD2-OE2 3.51Å; H75-E99 IonicContact NE2-OE2 3.63Å; H75-F123 HydrophobicContact CB-CE1 4.04Å; H75-F123 HydrophobicContact CB-CZ 3.85Å; H75-F123 AromaticContact CD2-CE2 3.99Å; H75-F123 AromaticContact CD2-CZ 3.77Å; H75-A127 HydrophobicContact CB-CB 4.25Å; H75-A127 VanDerWaalsContact CD2-CB 3.45Å; H75-A127 WeakPolarHBondContact CD2-CB 3.4Å; H75-N133 PolarHBondContact CE1-ND2 3.25Å; H75-K134 PolarHBondContact N-O 2.99Å; H75-K134 VanDerWaalsContact N-O 3.14Å; H75-V135 HydrophobicContact CB-CB 4.37Å; H75-V135 HydrophobicContact CB-CG1 4.2Å; H75-V135 HydrophobicContact CB-CG2 4.04Å; H75-V135 WeakPolarHBondContact O-CA 3.13Å; H75-L136 PolarHBondContact O-N 2.87Å
76I98.9Very high96.4Very high0 Ų054 Ų540%026%0.26CS..EExtended strand (participates in β ladder)trans-127.6116.4179.8-59.1178.5000109.1L68 Y93 V98 E99 Y100 H101 L136L68-I76 HydrophobicContact CD1-CD1 4.04Å; I76-Y93 HydrophobicContact CD1-CD1 3.67Å; I76-Y93 HydrophobicContact CD1-CD2 4.14Å; I76-Y93 HydrophobicContact CD1-CE1 3.42Å; I76-Y93 VanDerWaalsContact CD1-CE1 3.42Å; I76-Y93 HydrophobicContact CD1-CE2 3.9Å; I76-Y93 HydrophobicContact CD1-CG 4.04Å; I76-Y93 HydrophobicContact CG2-CE2 4.25Å; I76-V98 HydrophobicContact CD1-CB 4.44Å; I76-V98 HydrophobicContact CD1-CG1 4.46Å; I76-V98 HydrophobicContact CD1-CG2 4.19Å; I76-E99 PolarHBondContact N-O 3.22Å; I76-Y100 HydrophobicContact CB-CD2 4.29Å; I76-Y100 HydrophobicContact CG2-CD2 4.17Å; I76-Y100 HydrophobicContact CG2-CE2 4.35Å; I76-Y100 CarbonylContact O-C 3.53Å; I76-Y100 WeakPolarHBondContact O-CA 3.2Å; I76-H101 PolarHBondContact O-N 3.14Å; I76-L136 CarbonylContact C-O 3.43Å; I76-L136 WeakPolarHBondContact CA-O 3.44Å
77L98.9Very high96.3Very high0 Ų051.3 Ų51.30%026%0.256CS..EExtended strand (participates in β ladder)trans-102.4111.1168.2-165.6156.9000109.5A79 H101 V103 A120 F123 I124 L136 V137 H138 L149L77-A79 HydrophobicContact CD2-CB 4.14Å; L77-H101 CarbonylContact C-O 3.53Å; L77-H101 VanDerWaalsContact CA-O 3.31Å; L77-H101 WeakPolarHBondContact CA-O 3.29Å; L77-H101 HydrophobicContact CG-CB 4.3Å; L77-V103 HydrophobicContact CD2-CG2 4.34Å; L77-A120 HydrophobicContact CD1-CB 3.72Å; L77-F123 HydrophobicContact CB-CD1 4.2Å; L77-F123 HydrophobicContact CB-CE1 4.05Å; L77-F123 HydrophobicContact CD1-CD1 3.93Å; L77-F123 HydrophobicContact CG-CD1 4.47Å; L77-I124 HydrophobicContact CD1-CD1 4.28Å; L77-I124 HydrophobicContact CD1-CG1 4.21Å; L77-L136 PolarHBondContact N-O 2.9Å; L77-V137 HydrophobicContact CB-CB 4.44Å; L77-V137 HydrophobicContact CB-CG1 4.26Å; L77-V137 HydrophobicContact CB-CG2 4.1Å; L77-V137 HydrophobicContact CD2-CG1 3.86Å; L77-V137 HydrophobicContact CG-CG1 4.49Å; L77-V137 WeakPolarHBondContact O-CA 3.3Å; L77-H138 PolarHBondContact O-N 2.92Å; L77-L149 HydrophobicContact CD2-CD1 3.61Å
78N98.8Very high96.2Very high0 Ų049.5 Ų49.50%024%0.244CC..EExtended strand (participates in β ladder)trans-93.6102.9175.1-176.5-3.3000110.2A80 H81 V86 T88 Y100 H101 V103 H138N78-A80 PolarHBondContact O-N 2.9Å; N78-A80 WeakPolarHBondContact OD1-CA 3.42Å; N78-A80 PolarHBondContact OD1-N 2.85Å; N78-A80 PolarHBondContact OD1-O 3.14Å; N78-H81 HydrophobicContact CB-CB 4.47Å; N78-H81 PolarHBondContact OD1-N 2.83Å; N78-V86 PolarHBondContact ND2-O 3.23Å; N78-T88 PolarHBondContact ND2-OG1 3.3Å; N78-Y100 HydrophobicContact CB-CE2 3.8Å; N78-Y100 WeakPolarHBondContact CB-OH 3.41Å; N78-Y100 PolarHBondContact ND2-OH 2.94Å; N78-Y100 VanDerWaalsContact ND2-OH 3.13Å; N78-H101 PolarHBondContact N-O 3.12Å; N78-V103 PolarHBondContact O-N 3.13Å; N78-H138 VanDerWaalsContact CB-NE2 3.27Å; N78-H138 WeakPolarHBondContact CB-NE2 3.22Å; N78-H138 VanDerWaalsContact CG-NE2 3.35Å; N78-H138 PolarHBondContact OD1-CE1 2.91Å
79A98.8Very high96Very high0 Ų049.7 Ų49.70%025%0.246CC..THydrogen-bonded Turntrans-81.79.817700000113.7L77 V103 H138 C139 R145 L149L77-A79 HydrophobicContact CD2-CB 4.14Å; A79-V103 CarbonylContact C-O 3.59Å; A79-H138 WeakPolarHBondContact CA-O 3.43Å; A79-H138 VanDerWaalsContact CB-O 3.31Å; A79-H138 WeakPolarHBondContact CB-O 3.23Å; A79-H138 PolarHBondContact N-O 2.98Å; A79-C139 HydrophobicContact CB-CB 4.22Å; A79-R145 HydrophobicContact CB-CB 4.09Å; A79-R145 WeakPolarHBondContact O-CD 3.28Å; A79-L149 HydrophobicContact CB-CD1 3.7Å
80A97.9Very high96Very high0 Ų047.6 Ų47.60%024%0.243CC..THydrogen-bonded Turntrans-136.142.617500000109.3N78 N85 V86 C139N78-A80 PolarHBondContact O-N 2.9Å; N78-A80 WeakPolarHBondContact OD1-CA 3.42Å; N78-A80 PolarHBondContact OD1-N 2.85Å; N78-A80 PolarHBondContact OD1-O 3.14Å; A80-N85 HydrophobicContact CB-CB 4.25Å; A80-N85 WeakPolarHBondContact O-CB 3.17Å; A80-V86 HydrophobicContact CB-CB 4.37Å; A80-V86 HydrophobicContact CB-CG2 3.97Å; A80-V86 PolarHBondContact O-N 2.99Å; A80-C139 HydrophobicContact CB-CB 3.99Å
81H96.8Very high96Very high53 Ų5346.9 Ų46.925%0.24524%0.242CC..  trans-68.5154.2179.8-177.758.1000111.5N78 Y100 V103 E104N78-H81 HydrophobicContact CB-CB 4.47Å; N78-H81 PolarHBondContact OD1-N 2.83Å; H81-Y100 AromaticContact ND1-CZ 3.92Å; H81-Y100 PolarHBondContact ND1-OH 3.18Å; H81-V103 PolarHBondContact N-O 3.49Å; H81-E104 WeakPolarHBondContact O-CA 3.49Å; H81-E104 WeakPolarHBondContact O-CG 3.38Å
82G93.3Very high96.1Very high7 Ų747.1 Ų47.17%0.07224%0.236CC..SBendtrans113.8156.9172.700000113.6R84 N85G82-R84 PolarHBondContact O-N 3.27Å; G82-R84 VanDerWaalsContact O-N 3.1Å; G82-N85 CarbonylContact O-C 3.55Å; G82-N85 WeakPolarHBondContact O-CA 3.47Å; G82-N85 PolarHBondContact O-N 3.42Å
83Q88.9Confident96.1Very high170 Ų17045.5 Ų45.579%0.79422%0.219SC*.THydrogen-bonded Turntrans-59.1-25.3-173.5-67.3177.3-10.400114.7
84R89.3Confident95.9Very high215 Ų21553.2 Ų53.281%0.81125%0.247SC*.THydrogen-bonded Turntrans-93.92.5178.1-60.1-172.5-62.9-171.90.7113G82G82-R84 PolarHBondContact O-N 3.27Å; G82-R84 VanDerWaalsContact O-N 3.1Å
85N94.7Very high95.7Very high47 Ų4756.8 Ų56.825%0.25127%0.265SS..SBendtrans-128.6-136.5-179.8-70.8-63.3000109.1A80 G82 D87 R145A80-N85 HydrophobicContact CB-CB 4.25Å; A80-N85 WeakPolarHBondContact O-CB 3.17Å; G82-N85 CarbonylContact O-C 3.55Å; G82-N85 WeakPolarHBondContact O-CA 3.47Å; G82-N85 PolarHBondContact O-N 3.42Å; N85-D87 PolarHBondContact O-N 3.41Å; N85-R145 PolarHBondContact OD1-NH1 3.15Å
86V94.8Very high95.5Very high3 Ų357 Ų572%0.01827%0.267CS..  trans-87.194.2178.6-175.70000108.5E59 N78 A80 T88E59-V86 HydrophobicContact CB-CG2 4.12Å; E59-V86 HydrophobicContact CG-CG1 3.97Å; E59-V86 HydrophobicContact CG-CG2 4.03Å; N78-V86 PolarHBondContact ND2-O 3.23Å; A80-V86 HydrophobicContact CB-CB 4.37Å; A80-V86 HydrophobicContact CB-CG2 3.97Å; A80-V86 PolarHBondContact O-N 2.99Å; V86-T88 VanDerWaalsContact C-N 3.34Å; V86-T88 HydrophobicContact CG1-CG2 4.16Å; V86-T88 PolarHBondContact O-N 3.05Å
87D95.8Very high95.2Very high97 Ų9763.8 Ų63.852%0.51931%0.308SS..  trans-85.669.6-173.2-163.726.5000112.4N85N85-D87 PolarHBondContact O-N 3.41Å
88T93.6Very high95.2Very high11 Ų1165.1 Ų65.17%0.06732%0.316CS..  trans-91.8-64.8170.551.90000110.4L63 N78 V86 Y92 Y93L63-T88 HydrophobicContact CD2-CG2 3.7Å; N78-T88 PolarHBondContact ND2-OG1 3.3Å; V86-T88 VanDerWaalsContact C-N 3.34Å; V86-T88 HydrophobicContact CG1-CG2 4.16Å; V86-T88 PolarHBondContact O-N 3.05Å; T88-Y92 HydrophobicContact CG2-CD1 3.72Å; T88-Y92 HydrophobicContact CG2-CD2 4.35Å; T88-Y92 HydrophobicContact CG2-CE1 4.07Å; T88-Y92 HydrophobicContact CG2-CG 3.88Å; T88-Y92 WeakPolarHBondContact O-CB 3.49Å; T88-Y93 HydrophobicContact CG2-CE2 4.47Å
89G94.6Very high95.1Very high6 Ų670.9 Ų70.96%0.06234%0.343CS..Hα-helixtrans65.1179.1-171.700000112.6E91 Y93G89-E91 VanDerWaalsContact C-N 3.31Å; G89-E91 PolarHBondContact O-N 3.01Å; G89-Y93 VanDerWaalsContact O-CD2 3.32Å; G89-Y93 WeakPolarHBondContact O-CD2 3.46Å
90P95.8Very high95.1Very high79 Ų7973 Ų7351%0.51335%0.351SS..Hα-helixtrans-64.3-34.8178.825.2-32.9000112.6Y92 Y93 R94 Y100P90-Y92 VanDerWaalsContact C-N 3.28Å; P90-Y92 PolarHBondContact O-N 3.3Å; P90-Y93 CarbonylContact O-C 3.39Å; P90-Y93 PolarHBondContact O-N 2.66Å; P90-R94 PolarHBondContact O-N 3.17Å; P90-Y100 HydrophobicContact CB-CD1 4.36Å; P90-Y100 HydrophobicContact CB-CG 4.44Å
91E96.6Very high95.2Very high135 Ų13575.5 Ų75.563%0.63136%0.363SS*.Hα-helixtrans-61.7-32.6-178.1-73.6-58.1137.800113.6G89 Y93 R94G89-E91 VanDerWaalsContact C-N 3.31Å; G89-E91 PolarHBondContact O-N 3.01Å; E91-Y93 PolarHBondContact O-N 3.23Å; E91-R94 WeakPolarHBondContact O-CB 3.28Å; E91-R94 WeakPolarHBondContact O-CG 3.33Å; E91-R94 PolarHBondContact O-N 2.6Å
92Y97.8Very high95.3Very high72 Ų7274.4 Ų74.428%0.28237%0.366SS..Hα-helixtrans-61.2-29.7175.5-176-95.6000112.4L63 R65 T88 P90L63-Y92 WeakPolarHBondContact CA-OH 3.39Å; L63-Y92 HydrophobicContact CD2-CE1 4.19Å; L63-Y92 HydrophobicContact CD2-CE2 4.07Å; L63-Y92 PolarHBondContact O-OH 3.36Å; R65-Y92 WeakPolarHBondContact CD-O 3.41Å; R65-Y92 HydrophobicContact CG-CD1 4.22Å; R65-Y92 HydrophobicContact CG-CE1 3.55Å; R65-Y92 PolarHBondContact NE-O 3.48Å; R65-Y92 PolarHBondContact NH1-O 2.98Å; T88-Y92 HydrophobicContact CG2-CD1 3.72Å; T88-Y92 HydrophobicContact CG2-CD2 4.35Å; T88-Y92 HydrophobicContact CG2-CE1 4.07Å; T88-Y92 HydrophobicContact CG2-CG 3.88Å; T88-Y92 WeakPolarHBondContact O-CB 3.49Å; P90-Y92 VanDerWaalsContact C-N 3.28Å; P90-Y92 PolarHBondContact O-N 3.3Å
93Y97.3Very high95.5Very high3 Ų374.1 Ų74.11%0.01236%0.363CS..THydrogen-bonded Turntrans-103.713.6-178.9-53.9-73.4000113.8A62 R65 L68 I76 T88 G89 P90 E91 D95 M96 V98 Y100A62-Y93 WeakPolarHBondContact O-CE1 3.14Å; A62-Y93 PolarHBondContact O-OH 2.93Å; R65-Y93 HydrophobicContact CG-CD1 4.4Å; L68-Y93 HydrophobicContact CD1-CE1 3.75Å; I76-Y93 HydrophobicContact CD1-CD1 3.67Å; I76-Y93 HydrophobicContact CD1-CD2 4.14Å; I76-Y93 HydrophobicContact CD1-CE1 3.42Å; I76-Y93 VanDerWaalsContact CD1-CE1 3.42Å; I76-Y93 HydrophobicContact CD1-CE2 3.9Å; I76-Y93 HydrophobicContact CD1-CG 4.04Å; I76-Y93 HydrophobicContact CG2-CE2 4.25Å; T88-Y93 HydrophobicContact CG2-CE2 4.47Å; G89-Y93 VanDerWaalsContact O-CD2 3.32Å; G89-Y93 WeakPolarHBondContact O-CD2 3.46Å; P90-Y93 CarbonylContact O-C 3.39Å; P90-Y93 PolarHBondContact O-N 2.66Å; E91-Y93 PolarHBondContact O-N 3.23Å; Y93-D95 PolarHBondContact O-N 2.96Å; Y93-M96 HydrophobicContact CD1-SD 3.82Å; Y93-M96 WeakPolarHBondContact O-CB 3.39Å; Y93-M96 PolarHBondContact O-N 3.27Å; Y93-V98 VanDerWaalsContact CB-CG2 3.44Å; Y93-V98 HydrophobicContact CD1-CG2 4.46Å; Y93-V98 HydrophobicContact CG-CG2 3.96Å; Y93-Y100 AromaticContact CD2-CD2 3.93Å; Y93-Y100 HydrophobicContact CD2-CD2 3.93Å; Y93-Y100 HydrophobicContact CD2-CE2 4.41Å; Y93-Y100 AromaticContact CE2-CD2 3.8Å; Y93-Y100 HydrophobicContact CE2-CD2 3.8Å; Y93-Y100 AromaticContact CE2-CE2 3.91Å; Y93-Y100 HydrophobicContact CE2-CE2 3.91Å
94R93.9Very high95.9Very high177 Ų17771.2 Ų71.267%0.66835%0.349SS*.THydrogen-bonded Turntrans-55-26.7-170.270.3-174.9-173.7-171-1.6116.7P90 E91P90-R94 PolarHBondContact O-N 3.17Å; E91-R94 WeakPolarHBondContact O-CB 3.28Å; E91-R94 WeakPolarHBondContact O-CG 3.33Å; E91-R94 PolarHBondContact O-N 2.6Å
95D94Very high96.3Very high105 Ų10561 Ų6156%0.56131%0.311SS*.THydrogen-bonded Turntrans-96.24.3179.7-41.9-63.9000112.4R65 Y93R65-D95 IonicContact CZ-OD2 2.71Å; R65-D95 IonicContact NH1-OD2 2.73Å; R65-D95 IonicContact NH2-OD2 3.76Å; R65-D95 PolarHBondContact NH2-OD2 2.88Å; Y93-D95 PolarHBondContact O-N 2.96Å
96M95.4Very high96.4Very high18 Ų1861.9 Ų61.99%0.08932%0.315CS..SBendtrans-107.5147.2179-60.9173.362.300109.5R65 L68 E69 Y93 V98R65-M96 HydrophobicContact CB-SD 3.79Å; R65-M96 HydrophobicContact CG-SD 3.81Å; L68-M96 HydrophobicContact CB-CE 3.66Å; E69-M96 HydrophobicContact CB-CE 4.07Å; Y93-M96 HydrophobicContact CD1-SD 3.82Å; Y93-M96 WeakPolarHBondContact O-CB 3.39Å; Y93-M96 PolarHBondContact O-N 3.27Å; M96-V98 HydrophobicContact CB-CG1 4.14Å; M96-V98 HydrophobicContact CB-CG2 4.13Å; M96-V98 HydrophobicContact CE-CG1 4.19Å; M96-V98 PolarHBondContact O-N 3.4Å
97T93.5Very high96.6Very high141 Ų14164.8 Ų64.887%0.86533%0.331SS*.  trans-83.272.1173.1-520000109.4
98V97.1Very high96.7Very high29 Ų2964.5 Ų64.518%0.17633%0.329CS..  trans-129.2139.7179.1-59.20000112.5F73 T74 I76 Y93 M96F73-V98 WeakPolarHBondContact O-CG1 3.45Å; T74-V98 CarbonylContact O-C 3.56Å; T74-V98 VanDerWaalsContact O-CA 3.23Å; T74-V98 WeakPolarHBondContact O-CA 3.27Å; I76-V98 HydrophobicContact CD1-CB 4.44Å; I76-V98 HydrophobicContact CD1-CG1 4.46Å; I76-V98 HydrophobicContact CD1-CG2 4.19Å; Y93-V98 VanDerWaalsContact CB-CG2 3.44Å; Y93-V98 HydrophobicContact CD1-CG2 4.46Å; Y93-V98 HydrophobicContact CG-CG2 3.96Å; M96-V98 HydrophobicContact CB-CG1 4.14Å; M96-V98 HydrophobicContact CB-CG2 4.13Å; M96-V98 HydrophobicContact CE-CG1 4.19Å; M96-V98 PolarHBondContact O-N 3.4Å
99E98.4Very high96.9Very high121 Ų12167.5 Ų67.557%0.56535%0.348SS*.EExtended strand (participates in β ladder)trans-87.1135.5166.3-65.5-166.6-167.600110.5T74 H75 I76 F123T74-E99 PolarHBondContact O-N 3.15Å; H75-E99 CarbonylContact C-O 3.53Å; H75-E99 WeakPolarHBondContact CA-O 3.23Å; H75-E99 IonicContact CD2-OE2 3.51Å; H75-E99 IonicContact NE2-OE2 3.63Å; I76-E99 PolarHBondContact N-O 3.22Å; E99-F123 HydrophobicContact CB-CE2 4.28Å; E99-F123 HydrophobicContact CB-CZ 4.45Å
100Y98.6Very high97Very high43 Ų4373.4 Ų73.417%0.16938%0.383CS..EExtended strand (participates in β ladder)trans-115.1135-176-179.2-91.1000112I76 N78 H81 P90 Y93I76-Y100 HydrophobicContact CB-CD2 4.29Å; I76-Y100 HydrophobicContact CG2-CD2 4.17Å; I76-Y100 HydrophobicContact CG2-CE2 4.35Å; I76-Y100 CarbonylContact O-C 3.53Å; I76-Y100 WeakPolarHBondContact O-CA 3.2Å; N78-Y100 HydrophobicContact CB-CE2 3.8Å; N78-Y100 WeakPolarHBondContact CB-OH 3.41Å; N78-Y100 PolarHBondContact ND2-OH 2.94Å; N78-Y100 VanDerWaalsContact ND2-OH 3.13Å; H81-Y100 AromaticContact ND1-CZ 3.92Å; H81-Y100 PolarHBondContact ND1-OH 3.18Å; P90-Y100 HydrophobicContact CB-CD1 4.36Å; P90-Y100 HydrophobicContact CB-CG 4.44Å; Y93-Y100 AromaticContact CD2-CD2 3.93Å; Y93-Y100 HydrophobicContact CD2-CD2 3.93Å; Y93-Y100 HydrophobicContact CD2-CE2 4.41Å; Y93-Y100 AromaticContact CE2-CD2 3.8Å; Y93-Y100 HydrophobicContact CE2-CD2 3.8Å; Y93-Y100 AromaticContact CE2-CE2 3.91Å; Y93-Y100 HydrophobicContact CE2-CE2 3.91Å
101H98.7Very high97.1Very high53 Ų5371.5 Ų71.525%0.24537%0.367CS..EExtended strand (participates in β ladder)trans-128.4114.2170.9-167.876.1000110.9I76 L77 N78 F123I76-H101 PolarHBondContact O-N 3.14Å; L77-H101 CarbonylContact C-O 3.53Å; L77-H101 VanDerWaalsContact CA-O 3.31Å; L77-H101 WeakPolarHBondContact CA-O 3.29Å; L77-H101 HydrophobicContact CG-CB 4.3Å; N78-H101 PolarHBondContact N-O 3.12Å; H101-F123 HydrophobicContact CB-CD1 3.89Å; H101-F123 HydrophobicContact CB-CD2 3.74Å; H101-F123 HydrophobicContact CB-CE1 3.88Å; H101-F123 HydrophobicContact CB-CE2 3.75Å; H101-F123 HydrophobicContact CB-CG 3.8Å; H101-F123 HydrophobicContact CB-CZ 3.8Å
102G98.6Very high97.2Very high30 Ų3071.2 Ų71.231%0.30936%0.364SS..EExtended strand (participates in β ladder)trans-96.1128.2178.600000112.3
103V98.5Very high97.2Very high1 Ų167.8 Ų67.81%0.00635%0.35CS..  trans-116.5108.7168.2176.40000108L77 N78 A79 H81 A105 L113 F116 L149L77-V103 HydrophobicContact CD2-CG2 4.34Å; N78-V103 PolarHBondContact O-N 3.13Å; A79-V103 CarbonylContact C-O 3.59Å; H81-V103 PolarHBondContact N-O 3.49Å; V103-A105 HydrophobicContact CG1-CB 4.05Å; V103-A105 PolarHBondContact O-N 3.2Å; V103-A105 VanDerWaalsContact O-N 3.15Å; V103-L113 HydrophobicContact CG1-CD1 4.26Å; V103-F116 HydrophobicContact CG1-CB 4.02Å; V103-F116 HydrophobicContact CG1-CD1 3.94Å; V103-F116 HydrophobicContact CG1-CD2 3.6Å; V103-F116 HydrophobicContact CG1-CE1 4.24Å; V103-F116 HydrophobicContact CG1-CE2 3.91Å; V103-F116 HydrophobicContact CG1-CG 3.59Å; V103-F116 HydrophobicContact CG1-CZ 4.21Å; V103-F116 HydrophobicContact CG2-CB 4.42Å; V103-F116 HydrophobicContact CG2-CD1 4.4Å; V103-F116 HydrophobicContact CG2-CG 4.47Å; V103-L149 HydrophobicContact CG2-CD1 4.29Å
104E98.1Very high97.3Very high110 Ų11069.2 Ų69.251%0.51436%0.361SS..  trans-76.2100174.8-177.3168.8-165.200109H81 F111H81-E104 WeakPolarHBondContact O-CA 3.49Å; H81-E104 WeakPolarHBondContact O-CG 3.38Å; E104-F111 WeakPolarHBondContact O-CZ 3.38Å
105A97.2Very high97.5Very high0 Ų066.4 Ų66.40%036%0.355CS..  trans-139.3133.9-175.400000113.3V103 F111 L113 R145V103-A105 HydrophobicContact CG1-CB 4.05Å; V103-A105 PolarHBondContact O-N 3.2Å; V103-A105 VanDerWaalsContact O-N 3.15Å; A105-F111 VanDerWaalsContact CA-CZ 3.47Å; A105-F111 HydrophobicContact CB-CD1 4.06Å; A105-F111 HydrophobicContact CB-CE1 3.41Å; A105-F111 VanDerWaalsContact CB-CE1 3.41Å; A105-F111 HydrophobicContact CB-CZ 3.73Å; A105-L113 HydrophobicContact CB-CD1 3.75Å; A105-R145 WeakPolarHBondContact O-CD 3.34Å; A105-R145 PolarHBondContact O-NH1 3.19Å
106D97.3Very high97.8Very high65 Ų6563.5 Ų63.535%0.34834%0.338SS..  trans-87143.1171.9-63.4-33.6000110.6L108 F111 F181D106-L108 HydrophobicContact CB-CD1 4.15Å; D106-L108 HydrophobicContact CB-CG 4.15Å; D106-L108 PolarHBondContact O-N 3.04Å; D106-F111 HydrophobicContact CB-CB 4.5Å; D106-F111 HydrophobicContact CB-CD2 4.02Å; D106-F111 HydrophobicContact CB-CG 4.39Å; D106-F111 WeakPolarHBondContact O-CB 3.41Å; D106-F181 WeakPolarHBondContact O-CZ 3.35Å
107D97.9Very high97.9Very high65 Ų6562.9 Ų62.935%0.34833%0.334SS..  trans-83.455.4176.3-157.7-1.5000111.9S144 R145 N178D107-S144 VanDerWaalsContact OD1-CB 3.3Å; D107-S144 WeakPolarHBondContact OD1-CB 3.14Å; D107-S144 PolarHBondContact OD1-OG 3.33Å; D107-S144 WeakPolarHBondContact OD2-CB 3.46Å; D107-S144 PolarHBondContact OD2-OG 3.43Å; D107-R145 HydrophobicContact CB-CG 4.1Å; D107-N178 PolarHBondContact OD1-ND2 2.96Å
108L97.9Very high98.2Very high90 Ų9062.1 Ų62.147%0.47132%0.317SS..  trans-115.3139.8-178.5-64.9175.8000110.2D106 T110 F111D106-L108 HydrophobicContact CB-CD1 4.15Å; D106-L108 HydrophobicContact CB-CG 4.15Å; D106-L108 PolarHBondContact O-N 3.04Å; L108-T110 PolarHBondContact O-N 2.86Å; L108-F111 HydrophobicContact CB-CB 4.41Å; L108-F111 WeakPolarHBondContact O-CB 3.4Å; L108-F111 PolarHBondContact O-N 3.33Å
109P97Very high98.2Very high74 Ų7463.2 Ų63.248%0.48133%0.326SS..THydrogen-bonded Turntrans-58.1-20.7174.3-25.634.5000114.6N178 G180P109-N178 WeakPolarHBondContact CA-OD1 3.47Å; P109-N178 HydrophobicContact CG-CB 4.32Å; P109-G180 WeakPolarHBondContact O-CA 3.4Å
110T97.6Very high98.3Very high130 Ų13057.4 Ų57.480%0.79830%0.299SS*.THydrogen-bonded Turntrans-85-15.4176.849.30000113.3L108L108-T110 PolarHBondContact O-N 2.86Å
111F98.3Very high98.3Very high40 Ų4055.4 Ų55.418%0.17529%0.291CS..SBendtrans-73.9132.5-179.4-172.2-90.7000110.9E104 A105 D106 L108 L113 F116 F181 Q184E104-F111 WeakPolarHBondContact O-CZ 3.38Å; A105-F111 VanDerWaalsContact CA-CZ 3.47Å; A105-F111 HydrophobicContact CB-CD1 4.06Å; A105-F111 HydrophobicContact CB-CE1 3.41Å; A105-F111 VanDerWaalsContact CB-CE1 3.41Å; A105-F111 HydrophobicContact CB-CZ 3.73Å; D106-F111 HydrophobicContact CB-CB 4.5Å; D106-F111 HydrophobicContact CB-CD2 4.02Å; D106-F111 HydrophobicContact CB-CG 4.39Å; D106-F111 WeakPolarHBondContact O-CB 3.41Å; L108-F111 HydrophobicContact CB-CB 4.41Å; L108-F111 WeakPolarHBondContact O-CB 3.4Å; L108-F111 PolarHBondContact O-N 3.33Å; F111-L113 HydrophobicContact CD1-CB 4.06Å; F111-L113 HydrophobicContact CD1-CD1 4.48Å; F111-L113 HydrophobicContact CE1-CB 4.31Å; F111-L113 HydrophobicContact CE1-CD1 4.1Å; F111-L113 PolarHBondContact O-N 2.62Å; F111-L113 VanDerWaalsContact O-N 3.11Å; F111-F116 HydrophobicContact CE1-CD2 4.41Å; F111-F116 AromaticContact CE1-CE2 3.96Å; F111-F116 HydrophobicContact CE1-CE2 3.96Å; F111-F116 AromaticContact CZ-CE2 3.89Å; F111-F116 HydrophobicContact CZ-CE2 3.89Å; F111-F181 HydrophobicContact CB-CE1 4.25Å; F111-F181 HydrophobicContact CD1-CE1 4.33Å; F111-F181 HydrophobicContact CD1-CZ 4.49Å; F111-Q184 PolarHBondContact O-NE2 3.37Å
112K98.3Very high98.3Very high129 Ų12958.4 Ų58.456%0.56130%0.303SS*.  trans-87.772.9-178.9-167.4-177.9179.4-176.10111S114 Q115K112-S114 PolarHBondContact O-N 2.86Å; K112-Q115 VanDerWaalsContact O-CG 3.29Å; K112-Q115 WeakPolarHBondContact O-CG 3.24Å; K112-Q115 PolarHBondContact O-N 3.48Å
113L98.7Very high98.3Very high0 Ų058.2 Ų58.20%029%0.294CS..G310 helixtrans-64.3-24.8177.7-168.859.8000112.7V103 A105 F111 Q115 F116 F117 T148 L149 F181V103-L113 HydrophobicContact CG1-CD1 4.26Å; A105-L113 HydrophobicContact CB-CD1 3.75Å; F111-L113 HydrophobicContact CD1-CB 4.06Å; F111-L113 HydrophobicContact CD1-CD1 4.48Å; F111-L113 HydrophobicContact CE1-CB 4.31Å; F111-L113 HydrophobicContact CE1-CD1 4.1Å; F111-L113 PolarHBondContact O-N 2.62Å; F111-L113 VanDerWaalsContact O-N 3.11Å; L113-Q115 PolarHBondContact O-N 3Å; L113-Q115 VanDerWaalsContact O-N 3.12Å; L113-F116 HydrophobicContact CD1-CD2 4.13Å; L113-F116 PolarHBondContact O-N 2.86Å; L113-F117 HydrophobicContact CB-CE1 4.33Å; L113-F117 HydrophobicContact CD2-CE1 4.5Å; L113-F117 HydrophobicContact CG-CE1 4.08Å; L113-T148 HydrophobicContact CD2-CG2 3.8Å; L113-L149 HydrophobicContact CD1-CD2 4.03Å; L113-L149 HydrophobicContact CD1-CG 4.49Å; L113-L149 HydrophobicContact CD2-CD2 4.25Å; L113-L149 HydrophobicContact CD2-CG 4.45Å; L113-L149 HydrophobicContact CG-CD2 3.94Å; L113-F181 HydrophobicContact CB-CD1 3.89Å; L113-F181 HydrophobicContact CB-CE1 3.61Å; L113-F181 HydrophobicContact CB-CZ 4.1Å; L113-F181 HydrophobicContact CD2-CD1 4.21Å; L113-F181 HydrophobicContact CD2-CD2 3.91Å; L113-F181 HydrophobicContact CD2-CE1 4.08Å; L113-F181 HydrophobicContact CD2-CE2 3.76Å; L113-F181 HydrophobicContact CD2-CG 4.14Å; L113-F181 HydrophobicContact CD2-CZ 3.85Å; L113-F181 HydrophobicContact CG-CE1 4.47Å
114S98.6Very high98.3Very high33 Ų3358.2 Ų58.223%0.23129%0.294CS..G310 helixtrans-58.7-24.5-179.261.80000114.7K112 F116 F117 Q184K112-S114 PolarHBondContact O-N 2.86Å; S114-F116 PolarHBondContact O-N 3.17Å; S114-F117 PolarHBondContact O-N 3.21Å; S114-Q184 PolarHBondContact OG-OE1 2.9Å
115Q98.5Very high98.4Very high117 Ų11753.8 Ų53.855%0.54727%0.273SS..G310 helixtrans-63.7-19.4174.576.7-169.510.300112.9K112 L113K112-Q115 VanDerWaalsContact O-CG 3.29Å; K112-Q115 WeakPolarHBondContact O-CG 3.24Å; K112-Q115 PolarHBondContact O-N 3.48Å; L113-Q115 PolarHBondContact O-N 3Å; L113-Q115 VanDerWaalsContact O-N 3.12Å
116F98.8Very high98.4Very high45 Ų4558.3 Ų58.320%0.19730%0.298CS..G310 helixtrans-102.8-4179.3-56.6-74.3000113.8V103 F111 L113 S114 Y118 S119 A120 L149V103-F116 HydrophobicContact CG1-CB 4.02Å; V103-F116 HydrophobicContact CG1-CD1 3.94Å; V103-F116 HydrophobicContact CG1-CD2 3.6Å; V103-F116 HydrophobicContact CG1-CE1 4.24Å; V103-F116 HydrophobicContact CG1-CE2 3.91Å; V103-F116 HydrophobicContact CG1-CG 3.59Å; V103-F116 HydrophobicContact CG1-CZ 4.21Å; V103-F116 HydrophobicContact CG2-CB 4.42Å; V103-F116 HydrophobicContact CG2-CD1 4.4Å; V103-F116 HydrophobicContact CG2-CG 4.47Å; F111-F116 HydrophobicContact CE1-CD2 4.41Å; F111-F116 AromaticContact CE1-CE2 3.96Å; F111-F116 HydrophobicContact CE1-CE2 3.96Å; F111-F116 AromaticContact CZ-CE2 3.89Å; F111-F116 HydrophobicContact CZ-CE2 3.89Å; L113-F116 HydrophobicContact CD1-CD2 4.13Å; L113-F116 PolarHBondContact O-N 2.86Å; S114-F116 PolarHBondContact O-N 3.17Å; F116-Y118 PolarHBondContact O-N 2.96Å; F116-S119 PolarHBondContact O-N 3.02Å; F116-S119 PolarHBondContact O-OG 3.22Å; F116-A120 WeakPolarHBondContact O-CB 3.29Å; F116-A120 PolarHBondContact O-N 3.22Å; F116-L149 HydrophobicContact CB-CD2 4.44Å
117F98.8Very high98.5Very high4 Ų455.3 Ų55.32%0.01828%0.282CS..Hα-helixtrans-56.6-48.4-175-73.4-6.6000112.1L113 S114 S121 T148 L149 A152 I156 Q184 L185 L188L113-F117 HydrophobicContact CB-CE1 4.33Å; L113-F117 HydrophobicContact CD2-CE1 4.5Å; L113-F117 HydrophobicContact CG-CE1 4.08Å; S114-F117 PolarHBondContact O-N 3.21Å; F117-S121 WeakPolarHBondContact O-CB 3.32Å; F117-S121 PolarHBondContact O-N 2.79Å; F117-S121 PolarHBondContact O-OG 2.71Å; F117-T148 HydrophobicContact CE1-CG2 3.71Å; F117-T148 HydrophobicContact CZ-CG2 3.85Å; F117-L149 HydrophobicContact CD1-CD2 3.92Å; F117-L149 HydrophobicContact CE1-CD2 4.31Å; F117-A152 HydrophobicContact CB-CB 4.02Å; F117-A152 HydrophobicContact CD1-CB 3.85Å; F117-A152 HydrophobicContact CD2-CB 4.11Å; F117-A152 HydrophobicContact CE1-CB 4.32Å; F117-A152 HydrophobicContact CG-CB 3.73Å; F117-I156 HydrophobicContact CB-CD1 4.34Å; F117-Q184 HydrophobicContact CE2-CB 4.18Å; F117-Q184 HydrophobicContact CZ-CB 3.99Å; F117-L185 HydrophobicContact CE2-CD2 4.24Å; F117-L185 HydrophobicContact CZ-CD2 4.09Å; F117-L185 HydrophobicContact CZ-CG 4.38Å; F117-L188 HydrophobicContact CD2-CB 4.39Å; F117-L188 HydrophobicContact CD2-CD2 3.83Å; F117-L188 HydrophobicContact CE2-CB 4.38Å; F117-L188 HydrophobicContact CE2-CD2 4.26Å
118Y98.8Very high98.5Very high125 Ų12553.6 Ų53.649%0.4927%0.273SS..Hα-helixtrans-73.1-40.4-178.3-72.2-85000113.1F116 K122 I156 L188F116-Y118 PolarHBondContact O-N 2.96Å; Y118-K122 VanDerWaalsContact O-CB 3.24Å; Y118-K122 WeakPolarHBondContact O-CB 3.46Å; Y118-K122 PolarHBondContact O-N 2.8Å; Y118-I156 HydrophobicContact CD1-CD1 4.05Å; Y118-I156 HydrophobicContact CD1-CG2 4.35Å; Y118-I156 HydrophobicContact CE1-CD1 4.03Å; Y118-I156 HydrophobicContact CE1-CG1 4.29Å; Y118-I156 HydrophobicContact CE1-CG2 4.18Å; Y118-I156 HydrophobicContact CG-CD1 4.39Å; Y118-L188 HydrophobicContact CE2-CD1 4.43Å
119S98.8Very high98.5Very high52 Ų5255.7 Ų55.736%0.36428%0.28SS..Hα-helixtrans-66.7-45.4179.456.60000111.8F116 K122 F123F116-S119 PolarHBondContact O-N 3.02Å; F116-S119 PolarHBondContact O-OG 3.22Å; S119-K122 PolarHBondContact O-N 2.86Å; S119-F123 PolarHBondContact O-N 3.25Å
120A98.8Very high98.6Very high0 Ų054.6 Ų54.60%027%0.27CS..Hα-helixtrans-63.4-45.4175.700000111.5L77 F116 K122 F123 I124 L149L77-A120 HydrophobicContact CD1-CB 3.72Å; F116-A120 WeakPolarHBondContact O-CB 3.29Å; F116-A120 PolarHBondContact O-N 3.22Å; A120-K122 VanDerWaalsContact C-N 3.32Å; A120-K122 PolarHBondContact O-N 3.01Å; A120-F123 WeakPolarHBondContact O-CB 3.41Å; A120-F123 PolarHBondContact O-N 3.32Å; A120-I124 VanDerWaalsContact O-CG1 3.32Å; A120-I124 WeakPolarHBondContact O-CG1 3.26Å; A120-I124 PolarHBondContact O-N 2.87Å; A120-L149 HydrophobicContact CB-CB 4.4Å; A120-L149 HydrophobicContact CB-CD1 4.03Å; A120-L149 HydrophobicContact CB-CD2 4.07Å; A120-L149 HydrophobicContact CB-CG 4.4Å
121S98.9Very high98.5Very high0 Ų056.6 Ų56.60%027%0.271CS..Hα-helixtrans-64.9-37.4179.6-58.90000112.1F117 I124 D125 Y153F117-S121 WeakPolarHBondContact O-CB 3.32Å; F117-S121 PolarHBondContact O-N 2.79Å; F117-S121 PolarHBondContact O-OG 2.71Å; S121-I124 PolarHBondContact O-N 2.87Å; S121-D125 WeakPolarHBondContact O-CB 3.22Å; S121-D125 PolarHBondContact O-N 3.43Å; S121-Y153 WeakPolarHBondContact OG-CA 3.3Å; S121-Y153 PolarHBondContact OG-N 2.95Å
122K98.8Very high98.4Very high116 Ų11664.5 Ų64.550%0.50430%0.299SS..Hα-helixtrans-65.4-41.2175.3-175.4177.5-178.1-179.70112Y118 S119 A120 D125 N126Y118-K122 VanDerWaalsContact O-CB 3.24Å; Y118-K122 WeakPolarHBondContact O-CB 3.46Å; Y118-K122 PolarHBondContact O-N 2.8Å; S119-K122 PolarHBondContact O-N 2.86Å; A120-K122 VanDerWaalsContact C-N 3.32Å; A120-K122 PolarHBondContact O-N 3.01Å; K122-D125 PolarHBondContact O-N 2.94Å; K122-N126 VanDerWaalsContact O-CB 3.25Å; K122-N126 WeakPolarHBondContact O-CB 3.44Å; K122-N126 PolarHBondContact O-N 2.85Å; K122-N126 PolarHBondContact O-OD1 2.89Å
123F98.9Very high98.4Very high27 Ų2759.9 Ų59.912%0.11828%0.281CS..Hα-helixtrans-59.1-47.8173.9175.2-96.7000111.2H75 L77 E99 H101 S119 A120 A127H75-F123 HydrophobicContact CB-CE1 4.04Å; H75-F123 HydrophobicContact CB-CZ 3.85Å; H75-F123 AromaticContact CD2-CE2 3.99Å; H75-F123 AromaticContact CD2-CZ 3.77Å; L77-F123 HydrophobicContact CB-CD1 4.2Å; L77-F123 HydrophobicContact CB-CE1 4.05Å; L77-F123 HydrophobicContact CD1-CD1 3.93Å; L77-F123 HydrophobicContact CG-CD1 4.47Å; E99-F123 HydrophobicContact CB-CE2 4.28Å; E99-F123 HydrophobicContact CB-CZ 4.45Å; H101-F123 HydrophobicContact CB-CD1 3.89Å; H101-F123 HydrophobicContact CB-CD2 3.74Å; H101-F123 HydrophobicContact CB-CE1 3.88Å; H101-F123 HydrophobicContact CB-CE2 3.75Å; H101-F123 HydrophobicContact CB-CG 3.8Å; H101-F123 HydrophobicContact CB-CZ 3.8Å; S119-F123 PolarHBondContact O-N 3.25Å; A120-F123 WeakPolarHBondContact O-CB 3.41Å; A120-F123 PolarHBondContact O-N 3.32Å; F123-A127 WeakPolarHBondContact O-CB 3.14Å; F123-A127 PolarHBondContact O-N 3.24Å; F123-A127 VanDerWaalsContact O-N 3.16Å
124I98.9Very high98.4Very high0 Ų061.9 Ų61.90%029%0.289CS..Hα-helixtrans-62.7-48.1178.1-63.7163.7000111L54 L77 A120 S121 A127 L128 V135 V137 Y153L54-I124 HydrophobicContact CD1-CG2 3.82Å; L54-I124 HydrophobicContact CD2-CG2 3.99Å; L77-I124 HydrophobicContact CD1-CD1 4.28Å; L77-I124 HydrophobicContact CD1-CG1 4.21Å; A120-I124 VanDerWaalsContact O-CG1 3.32Å; A120-I124 WeakPolarHBondContact O-CG1 3.26Å; A120-I124 PolarHBondContact O-N 2.87Å; S121-I124 PolarHBondContact O-N 2.87Å; I124-A127 PolarHBondContact O-N 2.99Å; I124-L128 HydrophobicContact CG2-CD1 3.63Å; I124-L128 HydrophobicContact CG2-CG 4.45Å; I124-L128 WeakPolarHBondContact O-CG 3.41Å; I124-L128 PolarHBondContact O-N 3.28Å; I124-V135 HydrophobicContact CG1-CG1 4.39Å; I124-V137 HydrophobicContact CD1-CG2 3.89Å; I124-V137 HydrophobicContact CG1-CG2 4.13Å; I124-Y153 HydrophobicContact CB-CD2 3.93Å; I124-Y153 HydrophobicContact CB-CE2 4.21Å; I124-Y153 HydrophobicContact CB-CG 4.18Å; I124-Y153 HydrophobicContact CD1-CG 4.27Å; I124-Y153 HydrophobicContact CG2-CD1 3.82Å; I124-Y153 HydrophobicContact CG2-CD2 3.72Å; I124-Y153 HydrophobicContact CG2-CE1 3.75Å; I124-Y153 HydrophobicContact CG2-CE2 3.67Å; I124-Y153 HydrophobicContact CG2-CG 3.78Å
125D98.8Very high98.4Very high17 Ų1760.3 Ų60.39%0.09128%0.278CS..Hα-helixtrans-66.3-42.9-176.4-165.269.5000112.1S121 K122 A127 L128 Q129 Y153 Y157 K158S121-D125 WeakPolarHBondContact O-CB 3.22Å; S121-D125 PolarHBondContact O-N 3.43Å; K122-D125 PolarHBondContact O-N 2.94Å; D125-A127 VanDerWaalsContact C-N 3.33Å; D125-A127 PolarHBondContact O-N 3.44Å; D125-L128 PolarHBondContact O-N 2.79Å; D125-Q129 WeakPolarHBondContact O-CG 3.47Å; D125-Q129 PolarHBondContact O-N 2.82Å; D125-Q129 PolarHBondContact O-NE2 3.09Å; D125-Q129 PolarHBondContact OD2-NE2 3.43Å; D125-Q129 VanDerWaalsContact OD2-NE2 3.08Å; D125-Y153 HydrophobicContact CB-CD2 4.38Å; D125-Y153 HydrophobicContact CB-CE2 3.77Å; D125-Y157 HydrophobicContact CB-CD1 3.6Å; D125-Y157 HydrophobicContact CB-CD2 4.01Å; D125-Y157 HydrophobicContact CB-CE1 3.68Å; D125-Y157 HydrophobicContact CB-CE2 4.1Å; D125-Y157 HydrophobicContact CB-CG 3.76Å; D125-Y157 WeakPolarHBondContact OD1-CD1 3.31Å; D125-Y157 VanDerWaalsContact OD2-CD1 3.22Å; D125-Y157 WeakPolarHBondContact OD2-CD1 3.47Å; D125-Y157 VanDerWaalsContact OD2-CE1 3.29Å; D125-Y157 WeakPolarHBondContact OD2-CE1 3.19Å; D125-K158 IonicContact OD1-NZ 3.44Å; D125-K158 PolarHBondContact OD1-NZ 3.36Å
126N98.7Very high98.4Very high96 Ų9654.7 Ų54.751%0.51325%0.252SS..Hα-helixtrans-58.4-45.2175.7-77.5-1.4000111.6K122 L128 Q129K122-N126 VanDerWaalsContact O-CB 3.25Å; K122-N126 WeakPolarHBondContact O-CB 3.44Å; K122-N126 PolarHBondContact O-N 2.85Å; K122-N126 PolarHBondContact O-OD1 2.89Å; N126-L128 VanDerWaalsContact C-N 3.33Å; N126-L128 PolarHBondContact O-N 2.84Å; N126-Q129 PolarHBondContact O-N 3.43Å
127A98.7Very high98.4Very high2 Ų252.6 Ų52.62%0.01724%0.243CC..Hα-helixtrans-61.4-43.3178.400000111.4H75 F123 I124 D125 Q129 D130 N133 V135H75-A127 HydrophobicContact CB-CB 4.25Å; H75-A127 VanDerWaalsContact CD2-CB 3.45Å; H75-A127 WeakPolarHBondContact CD2-CB 3.4Å; F123-A127 WeakPolarHBondContact O-CB 3.14Å; F123-A127 PolarHBondContact O-N 3.24Å; F123-A127 VanDerWaalsContact O-N 3.16Å; I124-A127 PolarHBondContact O-N 2.99Å; D125-A127 VanDerWaalsContact C-N 3.33Å; D125-A127 PolarHBondContact O-N 3.44Å; A127-Q129 PolarHBondContact O-N 3.49Å; A127-D130 PolarHBondContact O-N 2.87Å; A127-N133 VanDerWaalsContact O-CB 3.24Å; A127-N133 WeakPolarHBondContact O-CB 3.5Å; A127-N133 PolarHBondContact O-ND2 3.04Å; A127-V135 HydrophobicContact CB-CG2 3.57Å
128L98.6Very high98.4Very high29 Ų2952.4 Ų52.415%0.15224%0.242CC..THydrogen-bonded Turntrans-80.33.2-176.2-65.3172.6000114.4N53 L54 I124 D125 N126 D130 V135 Y153N53-L128 HydrophobicContact CB-CD2 3.62Å; L54-L128 HydrophobicContact CB-CD1 4.13Å; L54-L128 HydrophobicContact CD2-CD1 4.45Å; I124-L128 HydrophobicContact CG2-CD1 3.63Å; I124-L128 HydrophobicContact CG2-CG 4.45Å; I124-L128 WeakPolarHBondContact O-CG 3.41Å; I124-L128 PolarHBondContact O-N 3.28Å; D125-L128 PolarHBondContact O-N 2.79Å; N126-L128 VanDerWaalsContact C-N 3.33Å; N126-L128 PolarHBondContact O-N 2.84Å; L128-D130 PolarHBondContact O-N 3.07Å; L128-V135 HydrophobicContact CD2-CG2 3.82Å; L128-V135 HydrophobicContact CG-CG2 3.91Å; L128-Y153 HydrophobicContact CD1-CE1 4.22Å; L128-Y153 WeakPolarHBondContact CD1-OH 3.03Å
129Q98.2Very high98.4Very high134 Ų13446.5 Ų46.563%0.62622%0.219SC*.THydrogen-bonded Turntrans-68.5-21167.4-63.6-56.9-48.400112.5D125 N126 A127D125-Q129 WeakPolarHBondContact O-CG 3.47Å; D125-Q129 PolarHBondContact O-N 2.82Å; D125-Q129 PolarHBondContact O-NE2 3.09Å; D125-Q129 PolarHBondContact OD2-NE2 3.43Å; D125-Q129 VanDerWaalsContact OD2-NE2 3.08Å; N126-Q129 PolarHBondContact O-N 3.43Å; A127-Q129 PolarHBondContact O-N 3.49Å
130D97.8Very high98.4Very high51 Ų5145.6 Ų45.627%0.27322%0.215SC..SBendtrans-107.4118.7172.6-171-26000109.5A127 L128 R132 N133A127-D130 PolarHBondContact O-N 2.87Å; L128-D130 PolarHBondContact O-N 3.07Å; D130-R132 PolarHBondContact O-N 2.85Å; D130-R132 VanDerWaalsContact O-N 3.1Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.48Å; D130-R132 WeakPolarHBondContact OD1-CG 3.22Å; D130-R132 IonicContact OD1-CZ 3.85Å; D130-R132 PolarHBondContact OD1-N 2.89Å; D130-R132 IonicContact OD1-NE 2.98Å; D130-R132 PolarHBondContact OD1-NE 2.78Å; D130-R132 IonicContact OD1-NH2 3.83Å; D130-R132 IonicContact OD2-CZ 3.37Å; D130-R132 IonicContact OD2-NE 3.22Å; D130-R132 PolarHBondContact OD2-NE 3.32Å; D130-R132 IonicContact OD2-NH2 2.7Å; D130-R132 PolarHBondContact OD2-NH2 2.81Å; D130-N133 WeakPolarHBondContact O-CB 3.5Å; D130-N133 PolarHBondContact O-N 2.91Å
131E95.4Very high98.3Very high172 Ų17250.6 Ų50.680%0.80424%0.239SC*.THydrogen-bonded Turntrans-63.8-15.7-178.4-63-176.9170.100113.7N53 N133N53-E131 PolarHBondContact ND2-O 3.13Å; E131-N133 VanDerWaalsContact C-N 3.32Å
132R96.9Very high98.3Very high205 Ų20550.6 Ų50.677%0.77424%0.239SC*.THydrogen-bonded Turntrans-78.5-19.1175.3-59.2173.6-67.8179.22.2112.5D130D130-R132 PolarHBondContact O-N 2.85Å; D130-R132 VanDerWaalsContact O-N 3.1Å; D130-R132 VanDerWaalsContact OD1-CB 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.48Å; D130-R132 WeakPolarHBondContact OD1-CG 3.22Å; D130-R132 IonicContact OD1-CZ 3.85Å; D130-R132 PolarHBondContact OD1-N 2.89Å; D130-R132 IonicContact OD1-NE 2.98Å; D130-R132 PolarHBondContact OD1-NE 2.78Å; D130-R132 IonicContact OD1-NH2 3.83Å; D130-R132 IonicContact OD2-CZ 3.37Å; D130-R132 IonicContact OD2-NE 3.22Å; D130-R132 PolarHBondContact OD2-NE 3.32Å; D130-R132 IonicContact OD2-NH2 2.7Å; D130-R132 PolarHBondContact OD2-NH2 2.81Å
133N98.5Very high98.2Very high33 Ų3348.7 Ų48.718%0.17623%0.229CC..  trans-78.9145.1-179-73.2-21000111.2N53 T74 H75 A127 D130 E131N53-N133 VanDerWaalsContact CB-O 3.28Å; N53-N133 WeakPolarHBondContact CB-O 3.39Å; T74-N133 WeakPolarHBondContact OG1-CA 3.34Å; T74-N133 WeakPolarHBondContact OG1-CB 3.49Å; H75-N133 PolarHBondContact CE1-ND2 3.25Å; A127-N133 VanDerWaalsContact O-CB 3.24Å; A127-N133 WeakPolarHBondContact O-CB 3.5Å; A127-N133 PolarHBondContact O-ND2 3.04Å; D130-N133 WeakPolarHBondContact O-CB 3.5Å; D130-N133 PolarHBondContact O-N 2.91Å; E131-N133 VanDerWaalsContact C-N 3.32Å
134K98.6Very high98.2Very high41 Ų4147.7 Ų47.718%0.17823%0.225CC..  trans-128.1127.9173.1-171.1179.8-69.1177.10110.3Y55 T71 G72 F73 T74 H75Y55-K134 HydrophobicContact CD2-CD 4.03Å; Y55-K134 HydrophobicContact CD2-CG 3.67Å; Y55-K134 HydrophobicContact CE2-CD 3.5Å; Y55-K134 HydrophobicContact CE2-CG 3.4Å; Y55-K134 VanDerWaalsContact CE2-CG 3.4Å; T71-K134 PolarHBondContact O-NZ 2.86Å; G72-K134 WeakPolarHBondContact O-CB 3.41Å; F73-K134 HydrophobicContact CD1-CB 4.26Å; F73-K134 HydrophobicContact CD1-CD 3.86Å; F73-K134 HydrophobicContact CD1-CG 3.64Å; F73-K134 HydrophobicContact CD2-CD 4.38Å; F73-K134 HydrophobicContact CE1-CD 3.7Å; F73-K134 HydrophobicContact CE1-CG 3.61Å; F73-K134 HydrophobicContact CE2-CD 4.27Å; F73-K134 HydrophobicContact CG-CD 4.22Å; F73-K134 HydrophobicContact CG-CG 4.37Å; F73-K134 HydrophobicContact CZ-CD 3.93Å; F73-K134 HydrophobicContact CZ-CG 4.34Å; T74-K134 PolarHBondContact N-O 3.1Å; T74-K134 PolarHBondContact OG1-N 3.4Å; T74-K134 PolarHBondContact OG1-O 2.89Å; H75-K134 PolarHBondContact N-O 2.99Å; H75-K134 VanDerWaalsContact N-O 3.14Å
135V98.9Very high98.2Very high0 Ų048.5 Ų48.50%023%0.228CC..EExtended strand (participates in β ladder)trans-110.3125.2-173.9-173.20000110.4N53 L54 Y55 H75 I124 A127 L128 V137N53-V135 PolarHBondContact O-N 3.27Å; L54-V135 HydrophobicContact CD1-CB 3.89Å; L54-V135 HydrophobicContact CD1-CG1 3.9Å; Y55-V135 PolarHBondContact N-O 3.46Å; H75-V135 HydrophobicContact CB-CB 4.37Å; H75-V135 HydrophobicContact CB-CG1 4.2Å; H75-V135 HydrophobicContact CB-CG2 4.04Å; H75-V135 WeakPolarHBondContact O-CA 3.13Å; I124-V135 HydrophobicContact CG1-CG1 4.39Å; A127-V135 HydrophobicContact CB-CG2 3.57Å; L128-V135 HydrophobicContact CD2-CG2 3.82Å; L128-V135 HydrophobicContact CG-CG2 3.91Å; V135-V137 HydrophobicContact CG1-CG2 4.07Å
136L98.9Very high98.2Very high0 Ų047.7 Ų47.70%022%0.224CC..EExtended strand (participates in β ladder)trans-100123.1167.2177.262.5000109.9V47 T61 L68 F73 H75 I76 L77 H138V47-L136 HydrophobicContact CG2-CD1 4.04Å; T61-L136 HydrophobicContact CG2-CD1 4.31Å; T61-L136 HydrophobicContact CG2-CD2 4.13Å; L68-L136 HydrophobicContact CD2-CD2 3.61Å; F73-L136 HydrophobicContact CD1-CB 3.63Å; F73-L136 HydrophobicContact CE1-CB 3.62Å; F73-L136 HydrophobicContact CE1-CD1 4.44Å; F73-L136 HydrophobicContact CG-CB 4.38Å; F73-L136 HydrophobicContact CZ-CB 4.35Å; H75-L136 PolarHBondContact O-N 2.87Å; I76-L136 CarbonylContact C-O 3.43Å; I76-L136 WeakPolarHBondContact CA-O 3.44Å; L77-L136 PolarHBondContact N-O 2.9Å; L136-H138 HydrophobicContact CD1-CB 4.44Å; L136-H138 HydrophobicContact CD2-CB 4.48Å; L136-H138 HydrophobicContact CG-CB 4.26Å
137V98.9Very high98.2Very high0 Ų043.1 Ų43.10%020%0.2CC..EExtended strand (participates in β ladder)trans-110.9109.2168.7-173.80000108.5L54 Y55 I56 G57 L77 I124 V135 V150L54-V137 HydrophobicContact CD1-CG2 3.72Å; Y55-V137 PolarHBondContact O-N 3.41Å; I56-V137 VanDerWaalsContact CA-O 3.3Å; I56-V137 WeakPolarHBondContact CA-O 3.5Å; G57-V137 PolarHBondContact N-O 3.41Å; L77-V137 HydrophobicContact CB-CB 4.44Å; L77-V137 HydrophobicContact CB-CG1 4.26Å; L77-V137 HydrophobicContact CB-CG2 4.1Å; L77-V137 HydrophobicContact CD2-CG1 3.86Å; L77-V137 HydrophobicContact CG-CG1 4.49Å; L77-V137 WeakPolarHBondContact O-CA 3.3Å; I124-V137 HydrophobicContact CD1-CG2 3.89Å; I124-V137 HydrophobicContact CG1-CG2 4.13Å; V135-V137 HydrophobicContact CG1-CG2 4.07Å; V137-V150 HydrophobicContact CB-CG2 3.77Å; V137-V150 HydrophobicContact CG1-CG2 3.89Å; V137-V150 HydrophobicContact CG2-CG2 3.85Å
138H98.8Very high98.2Very high0 Ų043 Ų430%020%0.199CC..EExtended strand (participates in β ladder)trans-122161.8-17581.592.6000112.7G57 A62 L77 N78 A79 L136 S146G57-H138 VanDerWaalsContact O-CA 3.3Å; G57-H138 WeakPolarHBondContact O-CA 3.44Å; G57-H138 WeakPolarHBondContact O-CB 3.48Å; A62-H138 HydrophobicContact CB-CB 4.44Å; A62-H138 WeakPolarHBondContact CB-CE1 3.48Å; A62-H138 WeakPolarHBondContact CB-ND1 3.34Å; L77-H138 PolarHBondContact O-N 2.92Å; N78-H138 VanDerWaalsContact CB-NE2 3.27Å; N78-H138 WeakPolarHBondContact CB-NE2 3.22Å; N78-H138 VanDerWaalsContact CG-NE2 3.35Å; N78-H138 PolarHBondContact OD1-CE1 2.91Å; A79-H138 WeakPolarHBondContact CA-O 3.43Å; A79-H138 VanDerWaalsContact CB-O 3.31Å; A79-H138 WeakPolarHBondContact CB-O 3.23Å; A79-H138 PolarHBondContact N-O 2.98Å; L136-H138 HydrophobicContact CD1-CB 4.44Å; L136-H138 HydrophobicContact CD2-CB 4.48Å; L136-H138 HydrophobicContact CG-CB 4.26Å; H138-S146 VanDerWaalsContact C-CB 3.49Å
139C98.3Very high98.2Very high1 Ų141.6 Ų41.61%0.00719%0.192CC..  trans-140.6-154.5162.5680000107.5D58 E59 A79 A80 G142 R145 S146D58-C139 CarbonylContact C-O 3.53Å; E59-C139 PolarHBondContact N-O 3.46Å; E59-C139 VanDerWaalsContact N-O 3.12Å; A79-C139 HydrophobicContact CB-CB 4.22Å; A80-C139 HydrophobicContact CB-CB 3.99Å; C139-G142 PolarHBondContact SG-N 3.05Å; C139-R145 HydrophobicContact CB-CB 3.94Å; C139-S146 PolarHBondContact SG-OG 3.28Å; C139-S146 VanDerWaalsContact SG-OG 3.34Å
140A97.8Very high98.2Very high33 Ų3335.2 Ų35.227%0.27316%0.162SC..SBendtrans-61.1-50.1175.900000112.6D58 E59D58-A140 WeakPolarHBondContact CB-O 3.22Å; E59-A140 PolarHBondContact N-O 2.84Å
141M97.6Very high98.3Very high106 Ų10632.8 Ų32.852%0.52215%0.149SC..SBendtrans-113.6-8-177.3-59.4-1777400114Y44 R143 R173Y44-M141 PolarHBondContact OH-O 3.27Å; M141-R143 VanDerWaalsContact C-N 3.28Å; M141-R143 HydrophobicContact CB-CB 4.47Å; M141-R143 HydrophobicContact CB-CG 4.07Å; M141-R143 WeakPolarHBondContact O-CG 3.47Å; M141-R143 PolarHBondContact O-N 3.17Å; M141-R173 PolarHBondContact O-NH2 3.25Å
142G97.8Very high98.4Very high0 Ų024.6 Ų24.60%011%0.11CC..SBendtrans64.628.1-173.500000114.6I56 G57 C139 S146 R173I56-G142 VanDerWaalsContact CG2-O 3.26Å; I56-G142 WeakPolarHBondContact CG2-O 3.11Å; G57-G142 WeakPolarHBondContact O-CA 3.35Å; G57-G142 PolarHBondContact O-N 3.16Å; C139-G142 PolarHBondContact SG-N 3.05Å; G142-S146 VanDerWaalsContact CA-OG 3.31Å; G142-S146 WeakPolarHBondContact CA-OG 3.36Å; G142-R173 PolarHBondContact O-NE 3.4Å
143R97.2Very high98.5Very high75 Ų7514.9 Ų14.928%0.2837%0.074SC..SBendtrans-116.2-35.4-174.2-62.2-168.572.7-163.8-4115.2Y44 M141 A147 C174 L176Y44-R143 HydrophobicContact CE2-CG 3.89Å; M141-R143 VanDerWaalsContact C-N 3.28Å; M141-R143 HydrophobicContact CB-CB 4.47Å; M141-R143 HydrophobicContact CB-CG 4.07Å; M141-R143 WeakPolarHBondContact O-CG 3.47Å; M141-R143 PolarHBondContact O-N 3.17Å; R143-A147 WeakPolarHBondContact O-CB 3.32Å; R143-C174 PolarHBondContact NE-O 3.38Å; R143-C174 PolarHBondContact NH2-SG 2.96Å; R143-C174 VanDerWaalsContact NH2-SG 3.38Å; R143-L176 CarbonylContact O-C 3.35Å; R143-L176 PolarHBondContact O-N 3.16Å
144S98.3Very high98.5Very high6 Ų613.3 Ų13.34%0.0427%0.065CC..SBendtrans-115.3-82.2-173.7177.20000111.2D107 S146 A147 T148 N178 F181D107-S144 VanDerWaalsContact OD1-CB 3.3Å; D107-S144 WeakPolarHBondContact OD1-CB 3.14Å; D107-S144 PolarHBondContact OD1-OG 3.33Å; D107-S144 WeakPolarHBondContact OD2-CB 3.46Å; D107-S144 PolarHBondContact OD2-OG 3.43Å; S144-S146 PolarHBondContact O-N 3.25Å; S144-A147 WeakPolarHBondContact O-CB 3.32Å; S144-A147 PolarHBondContact O-N 3.39Å; S144-T148 PolarHBondContact O-N 3.14Å; S144-T148 PolarHBondContact O-OG1 3.32Å; S144-N178 PolarHBondContact OG-N 3.03Å; S144-F181 WeakPolarHBondContact OG-CD2 3.26Å
145R98.8Very high98.6Very high17 Ų1711.4 Ų11.46%0.0646%0.057CC..Hα-helixtrans-48.1-59.6-177.9-70170.4-76.2-174.6-6.8114.6A79 N85 A105 D107 C139 A147 T148 L149 F181A79-R145 HydrophobicContact CB-CB 4.09Å; A79-R145 WeakPolarHBondContact O-CD 3.28Å; N85-R145 PolarHBondContact OD1-NH1 3.15Å; A105-R145 WeakPolarHBondContact O-CD 3.34Å; A105-R145 PolarHBondContact O-NH1 3.19Å; D107-R145 HydrophobicContact CB-CG 4.1Å; C139-R145 HydrophobicContact CB-CB 3.94Å; R145-A147 PolarHBondContact O-N 2.87Å; R145-T148 WeakPolarHBondContact O-CB 3.44Å; R145-T148 PolarHBondContact O-N 3.43Å; R145-L149 PolarHBondContact O-N 2.9Å; R145-F181 HydrophobicContact CB-CE2 4.42Å; R145-F181 HydrophobicContact CG-CE2 3.67Å; R145-F181 HydrophobicContact CG-CZ 4.1Å
146S98.8Very high98.6Very high0 Ų013 Ų130%07%0.065CC..Hα-helixtrans-64.9-39.5-178.954.30000112.6H138 C139 G142 S144 T148 L149 V150H138-S146 VanDerWaalsContact C-CB 3.49Å; C139-S146 PolarHBondContact SG-OG 3.28Å; C139-S146 VanDerWaalsContact SG-OG 3.34Å; G142-S146 VanDerWaalsContact CA-OG 3.31Å; G142-S146 WeakPolarHBondContact CA-OG 3.36Å; S144-S146 PolarHBondContact O-N 3.25Å; S146-T148 VanDerWaalsContact C-N 3.34Å; S146-T148 PolarHBondContact O-N 2.84Å; S146-L149 PolarHBondContact O-N 3.11Å; S146-V150 PolarHBondContact O-N 3.27Å
147A98.6Very high98.5Very high0 Ų017 Ų170%08%0.081CC..Hα-helixtrans-59.8-44.5174.200000111.4I56 R143 S144 R145 L149 V150 L151 I175I56-A147 HydrophobicContact CD1-CB 4.33Å; R143-A147 WeakPolarHBondContact O-CB 3.32Å; S144-A147 WeakPolarHBondContact O-CB 3.32Å; S144-A147 PolarHBondContact O-N 3.39Å; R145-A147 PolarHBondContact O-N 2.87Å; A147-L149 VanDerWaalsContact C-N 3.34Å; A147-L149 PolarHBondContact O-N 3.48Å; A147-V150 PolarHBondContact O-N 3.04Å; A147-L151 WeakPolarHBondContact O-CB 3.34Å; A147-L151 WeakPolarHBondContact O-CG 3.16Å; A147-L151 PolarHBondContact O-N 2.91Å; A147-I175 HydrophobicContact CB-CB 3.79Å; A147-I175 HydrophobicContact CB-CD1 4.33Å; A147-I175 HydrophobicContact CB-CG2 3.49Å; A147-I175 VanDerWaalsContact CB-CG2 3.49Å
148T98.9Very high98.5Very high0 Ų020.2 Ų20.20%010%0.095CC..Hα-helixtrans-59-42.7176.5-54.80000112.3L113 F117 S144 R145 S146 L151 A152 P177 F181 L185L113-T148 HydrophobicContact CD2-CG2 3.8Å; F117-T148 HydrophobicContact CE1-CG2 3.71Å; F117-T148 HydrophobicContact CZ-CG2 3.85Å; S144-T148 PolarHBondContact O-N 3.14Å; S144-T148 PolarHBondContact O-OG1 3.32Å; R145-T148 WeakPolarHBondContact O-CB 3.44Å; R145-T148 PolarHBondContact O-N 3.43Å; S146-T148 VanDerWaalsContact C-N 3.34Å; S146-T148 PolarHBondContact O-N 2.84Å; T148-L151 PolarHBondContact O-N 3.06Å; T148-A152 WeakPolarHBondContact O-CB 3.37Å; T148-A152 PolarHBondContact O-N 3.24Å; T148-P177 WeakPolarHBondContact OG1-CB 3.27Å; T148-F181 HydrophobicContact CG2-CB 3.85Å; T148-F181 HydrophobicContact CG2-CG 4.27Å; T148-F181 WeakPolarHBondContact OG1-CD2 3.5Å; T148-L185 HydrophobicContact CG2-CD1 3.92Å; T148-L185 HydrophobicContact CG2-CD2 4.08Å; T148-L185 HydrophobicContact CG2-CG 3.88Å
149L98.9Very high98.4Very high0 Ų025.5 Ų25.50%012%0.123CC..Hα-helixtrans-66.5-39.6178-64.5-176.7000112.2L77 A79 V103 L113 F116 F117 A120 R145 S146 A147 A152 Y153L77-L149 HydrophobicContact CD2-CD1 3.61Å; A79-L149 HydrophobicContact CB-CD1 3.7Å; V103-L149 HydrophobicContact CG2-CD1 4.29Å; L113-L149 HydrophobicContact CD1-CD2 4.03Å; L113-L149 HydrophobicContact CD1-CG 4.49Å; L113-L149 HydrophobicContact CD2-CD2 4.25Å; L113-L149 HydrophobicContact CD2-CG 4.45Å; L113-L149 HydrophobicContact CG-CD2 3.94Å; F116-L149 HydrophobicContact CB-CD2 4.44Å; F117-L149 HydrophobicContact CD1-CD2 3.92Å; F117-L149 HydrophobicContact CE1-CD2 4.31Å; A120-L149 HydrophobicContact CB-CB 4.4Å; A120-L149 HydrophobicContact CB-CD1 4.03Å; A120-L149 HydrophobicContact CB-CD2 4.07Å; A120-L149 HydrophobicContact CB-CG 4.4Å; R145-L149 PolarHBondContact O-N 2.9Å; S146-L149 PolarHBondContact O-N 3.11Å; A147-L149 VanDerWaalsContact C-N 3.34Å; A147-L149 PolarHBondContact O-N 3.48Å; L149-A152 PolarHBondContact O-N 2.84Å; L149-Y153 PolarHBondContact O-N 3.48Å
150V98.9Very high98.4Very high0 Ų026.8 Ų26.80%013%0.13CC..Hα-helixtrans-66.2-41.4174.8170.80000111.8V50 L54 I56 V137 S146 A147 A152 Y153 L154 V169V50-V150 HydrophobicContact CG2-CG1 3.93Å; L54-V150 HydrophobicContact CD2-CG1 3.9Å; L54-V150 HydrophobicContact CD2-CG2 4.41Å; I56-V150 HydrophobicContact CD1-CB 3.97Å; I56-V150 HydrophobicContact CD1-CG1 4.09Å; I56-V150 HydrophobicContact CD1-CG2 4.02Å; I56-V150 HydrophobicContact CG1-CB 4.3Å; I56-V150 HydrophobicContact CG1-CG1 4.48Å; I56-V150 HydrophobicContact CG1-CG2 3.78Å; V137-V150 HydrophobicContact CB-CG2 3.77Å; V137-V150 HydrophobicContact CG1-CG2 3.89Å; V137-V150 HydrophobicContact CG2-CG2 3.85Å; S146-V150 PolarHBondContact O-N 3.27Å; A147-V150 PolarHBondContact O-N 3.04Å; V150-A152 VanDerWaalsContact C-N 3.35Å; V150-A152 PolarHBondContact O-N 3.4Å; V150-Y153 WeakPolarHBondContact O-CB 3.3Å; V150-Y153 PolarHBondContact O-N 2.69Å; V150-L154 HydrophobicContact CG1-CD1 4.44Å; V150-L154 WeakPolarHBondContact O-CG 3.26Å; V150-L154 PolarHBondContact O-N 3.47Å; V150-V169 HydrophobicContact CG1-CG2 4.08Å
151L98.9Very high98.4Very high0 Ų026 Ų260%012%0.121CC..Hα-helixtrans-59.4-46.2174.6-68.7171.4000111.1A147 T148 Y153 L154 M155 A165 I166 V169 I175 P177 L185A147-L151 WeakPolarHBondContact O-CB 3.34Å; A147-L151 WeakPolarHBondContact O-CG 3.16Å; A147-L151 PolarHBondContact O-N 2.91Å; T148-L151 PolarHBondContact O-N 3.06Å; L151-Y153 VanDerWaalsContact C-N 3.32Å; L151-Y153 PolarHBondContact O-N 2.88Å; L151-L154 PolarHBondContact O-N 2.97Å; L151-M155 VanDerWaalsContact O-CG 3.23Å; L151-M155 WeakPolarHBondContact O-CG 3.37Å; L151-M155 PolarHBondContact O-N 2.97Å; L151-A165 HydrophobicContact CD2-CB 3.82Å; L151-A165 WeakPolarHBondContact CD2-O 3.44Å; L151-I166 HydrophobicContact CD1-CG1 4.02Å; L151-I166 HydrophobicContact CD2-CB 4.48Å; L151-I166 HydrophobicContact CD2-CG1 4.02Å; L151-V169 HydrophobicContact CD2-CB 4.13Å; L151-V169 HydrophobicContact CD2-CG2 3.8Å; L151-I175 HydrophobicContact CD1-CD1 4.01Å; L151-I175 HydrophobicContact CD2-CD1 4.3Å; L151-I175 HydrophobicContact CG-CD1 4.44Å; L151-P177 HydrophobicContact CD1-CG 3.99Å; L151-L185 HydrophobicContact CB-CD1 4.02Å; L151-L185 HydrophobicContact CB-CD2 4.1Å; L151-L185 HydrophobicContact CD1-CD1 3.68Å
152A98.9Very high98.4Very high0 Ų021 Ų210%010%0.096CC..Hα-helixtrans-59.9-41.817600000112F117 T148 L149 V150 M155 I156 L185 L188F117-A152 HydrophobicContact CB-CB 4.02Å; F117-A152 HydrophobicContact CD1-CB 3.85Å; F117-A152 HydrophobicContact CD2-CB 4.11Å; F117-A152 HydrophobicContact CE1-CB 4.32Å; F117-A152 HydrophobicContact CG-CB 3.73Å; T148-A152 WeakPolarHBondContact O-CB 3.37Å; T148-A152 PolarHBondContact O-N 3.24Å; L149-A152 PolarHBondContact O-N 2.84Å; V150-A152 VanDerWaalsContact C-N 3.35Å; V150-A152 PolarHBondContact O-N 3.4Å; A152-M155 PolarHBondContact O-N 3.5Å; A152-I156 WeakPolarHBondContact O-CB 3.42Å; A152-I156 WeakPolarHBondContact O-CD1 3.36Å; A152-I156 VanDerWaalsContact O-CG1 3.22Å; A152-I156 WeakPolarHBondContact O-CG1 3.22Å; A152-I156 PolarHBondContact O-N 3.22Å; A152-L185 HydrophobicContact CB-CD2 4.03Å; A152-L188 HydrophobicContact CB-CD2 3.88Å
153Y98.9Very high98.4Very high1 Ų122.1 Ų22.10%0.00410%0.104CC..Hα-helixtrans-59-48.9175.3159.3-103.9000112.5L54 S121 I124 D125 L128 L149 V150 L151 M155 I156 Y157 K158L54-Y153 HydrophobicContact CD2-CD1 3.58Å; L54-Y153 HydrophobicContact CD2-CE1 3.49Å; L54-Y153 VanDerWaalsContact CD2-CE1 3.49Å; S121-Y153 WeakPolarHBondContact OG-CA 3.3Å; S121-Y153 PolarHBondContact OG-N 2.95Å; I124-Y153 HydrophobicContact CB-CD2 3.93Å; I124-Y153 HydrophobicContact CB-CE2 4.21Å; I124-Y153 HydrophobicContact CB-CG 4.18Å; I124-Y153 HydrophobicContact CD1-CG 4.27Å; I124-Y153 HydrophobicContact CG2-CD1 3.82Å; I124-Y153 HydrophobicContact CG2-CD2 3.72Å; I124-Y153 HydrophobicContact CG2-CE1 3.75Å; I124-Y153 HydrophobicContact CG2-CE2 3.67Å; I124-Y153 HydrophobicContact CG2-CG 3.78Å; D125-Y153 HydrophobicContact CB-CD2 4.38Å; D125-Y153 HydrophobicContact CB-CE2 3.77Å; L128-Y153 HydrophobicContact CD1-CE1 4.22Å; L128-Y153 WeakPolarHBondContact CD1-OH 3.03Å; L149-Y153 PolarHBondContact O-N 3.48Å; V150-Y153 WeakPolarHBondContact O-CB 3.3Å; V150-Y153 PolarHBondContact O-N 2.69Å; L151-Y153 VanDerWaalsContact C-N 3.32Å; L151-Y153 PolarHBondContact O-N 2.88Å; Y153-M155 VanDerWaalsContact C-N 3.27Å; Y153-M155 PolarHBondContact O-N 3.35Å; Y153-I156 PolarHBondContact O-N 3.19Å; Y153-Y157 AromaticContact CD2-CD2 3.92Å; Y153-Y157 HydrophobicContact CD2-CD2 3.92Å; Y153-Y157 HydrophobicContact CD2-CG 4.26Å; Y153-Y157 HydrophobicContact CE2-CD2 4.3Å; Y153-Y157 HydrophobicContact CE2-CG 4.21Å; Y153-Y157 PolarHBondContact O-N 3.34Å; Y153-K158 HydrophobicContact CE1-CG 4.44Å; Y153-K158 VanDerWaalsContact CZ-CE 3.45Å; Y153-K158 WeakPolarHBondContact OH-CE 3.29Å; Y153-K158 PolarHBondContact OH-NZ 3.15Å
154L98.9Very high98.4Very high0 Ų022.2 Ų22.20%011%0.109CC..Hα-helixtrans-61.1-38.6178.6-67.8177.4000111.7W51 V150 L151 K158 N159 M160 A165 Q168 V169W51-L154 HydrophobicContact CB-CD2 4.34Å; W51-L154 HydrophobicContact CD2-CD2 3.81Å; W51-L154 HydrophobicContact CE3-CD2 3.98Å; W51-L154 HydrophobicContact CG-CD2 3.98Å; V150-L154 HydrophobicContact CG1-CD1 4.44Å; V150-L154 WeakPolarHBondContact O-CG 3.26Å; V150-L154 PolarHBondContact O-N 3.47Å; L151-L154 PolarHBondContact O-N 2.97Å; L154-K158 HydrophobicContact CD2-CB 4.39Å; L154-K158 HydrophobicContact CD2-CG 3.99Å; L154-K158 CarbonylContact O-C 3.32Å; L154-K158 VanDerWaalsContact O-CA 3.3Å; L154-K158 WeakPolarHBondContact O-CA 3.31Å; L154-K158 WeakPolarHBondContact O-CB 3.31Å; L154-K158 PolarHBondContact O-N 2.66Å; L154-N159 PolarHBondContact O-N 2.94Å; L154-M160 HydrophobicContact CB-CG 4.48Å; L154-M160 HydrophobicContact CB-SD 3.82Å; L154-M160 HydrophobicContact CD1-SD 4.19Å; L154-M160 HydrophobicContact CD2-SD 4.4Å; L154-M160 HydrophobicContact CG-SD 4.36Å; L154-M160 PolarHBondContact O-N 3.47Å; L154-A165 HydrophobicContact CB-CB 4.04Å; L154-A165 HydrophobicContact CD1-CB 4.39Å; L154-Q168 HydrophobicContact CD1-CB 4.43Å; L154-Q168 HydrophobicContact CD1-CG 4.08Å; L154-V169 HydrophobicContact CD1-CG2 3.67Å
155M98.8Very high98.4Very high0 Ų021.9 Ų21.90%011%0.107CC..Hα-helixtrans-66.6-45.3176.3-65.716663.300112.3L151 A152 Y153 M160 V162 A165 L185 L188 D189 L192 R196L151-M155 VanDerWaalsContact O-CG 3.23Å; L151-M155 WeakPolarHBondContact O-CG 3.37Å; L151-M155 PolarHBondContact O-N 2.97Å; A152-M155 PolarHBondContact O-N 3.5Å; Y153-M155 VanDerWaalsContact C-N 3.27Å; Y153-M155 PolarHBondContact O-N 3.35Å; M155-M160 WeakPolarHBondContact CA-O 3.21Å; M155-V162 HydrophobicContact CE-CB 3.9Å; M155-V162 HydrophobicContact CE-CG2 4.5Å; M155-V162 HydrophobicContact SD-CB 3.98Å; M155-V162 HydrophobicContact SD-CG2 4.18Å; M155-A165 HydrophobicContact CG-CB 3.93Å; M155-L185 WeakPolarHBondContact CE-O 3.15Å; M155-L185 HydrophobicContact SD-CD2 3.93Å; M155-L188 HydrophobicContact CB-CD2 4.39Å; M155-L188 HydrophobicContact CE-CB 4.1Å; M155-L188 HydrophobicContact CE-CD2 3.86Å; M155-L188 HydrophobicContact CE-CG 3.88Å; M155-L188 HydrophobicContact SD-CD2 4.17Å; M155-D189 HydrophobicContact CE-CB 3.58Å; M155-L192 HydrophobicContact CB-CD1 3.79Å; M155-L192 HydrophobicContact CE-CD1 4.38Å; M155-R196 PolarHBondContact O-NH2 3.5Å
156I98.8Very high98.3Very high35 Ų3521.2 Ų21.218%0.17911%0.105CC..Hα-helixtrans-73.7-50.5-175.3-67.3163.6000111.3F117 Y118 A152 Y153 L188 L192F117-I156 HydrophobicContact CB-CD1 4.34Å; Y118-I156 HydrophobicContact CD1-CD1 4.05Å; Y118-I156 HydrophobicContact CD1-CG2 4.35Å; Y118-I156 HydrophobicContact CE1-CD1 4.03Å; Y118-I156 HydrophobicContact CE1-CG1 4.29Å; Y118-I156 HydrophobicContact CE1-CG2 4.18Å; Y118-I156 HydrophobicContact CG-CD1 4.39Å; A152-I156 WeakPolarHBondContact O-CB 3.42Å; A152-I156 WeakPolarHBondContact O-CD1 3.36Å; A152-I156 VanDerWaalsContact O-CG1 3.22Å; A152-I156 WeakPolarHBondContact O-CG1 3.22Å; A152-I156 PolarHBondContact O-N 3.22Å; Y153-I156 PolarHBondContact O-N 3.19Å; I156-L188 HydrophobicContact CD1-CD1 4.36Å; I156-L188 HydrophobicContact CD1-CD2 4.16Å; I156-L188 HydrophobicContact CG1-CD1 4.24Å; I156-L188 HydrophobicContact CG1-CD2 4.16Å; I156-L192 HydrophobicContact CG1-CD1 4.21Å
157Y98.6Very high98.2Very high83 Ų8324.9 Ų24.933%0.32512%0.122SC..Hα-helixtrans-102.9-20.2-168.8-77.9-85.9000114.5D125 Y153D125-Y157 HydrophobicContact CB-CD1 3.6Å; D125-Y157 HydrophobicContact CB-CD2 4.01Å; D125-Y157 HydrophobicContact CB-CE1 3.68Å; D125-Y157 HydrophobicContact CB-CE2 4.1Å; D125-Y157 HydrophobicContact CB-CG 3.76Å; D125-Y157 WeakPolarHBondContact OD1-CD1 3.31Å; D125-Y157 VanDerWaalsContact OD2-CD1 3.22Å; D125-Y157 WeakPolarHBondContact OD2-CD1 3.47Å; D125-Y157 VanDerWaalsContact OD2-CE1 3.29Å; D125-Y157 WeakPolarHBondContact OD2-CE1 3.19Å; Y153-Y157 AromaticContact CD2-CD2 3.92Å; Y153-Y157 HydrophobicContact CD2-CD2 3.92Å; Y153-Y157 HydrophobicContact CD2-CG 4.26Å; Y153-Y157 HydrophobicContact CE2-CD2 4.3Å; Y153-Y157 HydrophobicContact CE2-CG 4.21Å; Y153-Y157 PolarHBondContact O-N 3.34Å
158K98.2Very high98.1Very high67 Ų6726.5 Ų26.529%0.29113%0.13SC..SBendtrans-110.616179.4-50.2-56.9166.1-154.70113.1W51 D125 Y153 L154 M160W51-K158 HydrophobicContact CZ2-CD 4.23Å; W51-K158 HydrophobicContact CZ2-CG 4.19Å; D125-K158 IonicContact OD1-NZ 3.44Å; D125-K158 PolarHBondContact OD1-NZ 3.36Å; Y153-K158 HydrophobicContact CE1-CG 4.44Å; Y153-K158 VanDerWaalsContact CZ-CE 3.45Å; Y153-K158 WeakPolarHBondContact OH-CE 3.29Å; Y153-K158 PolarHBondContact OH-NZ 3.15Å; L154-K158 HydrophobicContact CD2-CB 4.39Å; L154-K158 HydrophobicContact CD2-CG 3.99Å; L154-K158 CarbonylContact O-C 3.32Å; L154-K158 VanDerWaalsContact O-CA 3.3Å; L154-K158 WeakPolarHBondContact O-CA 3.31Å; L154-K158 WeakPolarHBondContact O-CB 3.31Å; L154-K158 PolarHBondContact O-N 2.66Å; K158-M160 HydrophobicContact CB-CE 4.46Å; K158-M160 HydrophobicContact CB-CG 4.39Å; K158-M160 PolarHBondContact O-N 2.88Å
159N96.8Very high98Very high112 Ų11226.5 Ų26.560%0.59913%0.13SC*.  trans54.826.3174.9-164.644.4000114.2L154 R196L154-N159 PolarHBondContact O-N 2.94Å; N159-R196 VanDerWaalsContact OD1-CZ 3.29Å; N159-R196 PolarHBondContact OD1-NE 2.94Å
160M98.2Very high97.8Very high28 Ų2827.9 Ų27.914%0.13814%0.14CC..  trans-80.1153.9179.4-66.9-170.2178.300111.2W51 L154 M155 K158 D164 A165 Q168 R196W51-M160 HydrophobicContact CE3-CE 4.16Å; W51-M160 HydrophobicContact CH2-CE 3.85Å; W51-M160 HydrophobicContact CZ3-CE 3.42Å; W51-M160 VanDerWaalsContact CZ3-CE 3.42Å; L154-M160 HydrophobicContact CB-CG 4.48Å; L154-M160 HydrophobicContact CB-SD 3.82Å; L154-M160 HydrophobicContact CD1-SD 4.19Å; L154-M160 HydrophobicContact CD2-SD 4.4Å; L154-M160 HydrophobicContact CG-SD 4.36Å; L154-M160 PolarHBondContact O-N 3.47Å; M155-M160 WeakPolarHBondContact CA-O 3.21Å; K158-M160 HydrophobicContact CB-CE 4.46Å; K158-M160 HydrophobicContact CB-CG 4.39Å; K158-M160 PolarHBondContact O-N 2.88Å; M160-D164 HydrophobicContact CB-CB 4.08Å; M160-D164 HydrophobicContact CG-CB 4.34Å; M160-A165 HydrophobicContact CB-CB 4.27Å; M160-A165 HydrophobicContact SD-CB 4.46Å; M160-Q168 HydrophobicContact CE-CG 4.42Å; M160-Q168 HydrophobicContact SD-CB 4.39Å; M160-R196 PolarHBondContact O-NH1 3.04Å; M160-R196 PolarHBondContact O-NH2 2.02Å
161T98.2Very high97.6Very high16 Ų1635.5 Ų35.510%0.09817%0.168CC..  trans-78.3166.7159.970.20000110Y25 V163 D164 A165 D189Y25-T161 HydrophobicContact CD1-CG2 4Å; Y25-T161 HydrophobicContact CD2-CG2 3.93Å; Y25-T161 HydrophobicContact CE1-CG2 3.79Å; Y25-T161 HydrophobicContact CE2-CG2 3.71Å; Y25-T161 HydrophobicContact CG-CG2 4.07Å; Y25-T161 VanDerWaalsContact CZ-CB 3.46Å; Y25-T161 WeakPolarHBondContact OH-CB 3.5Å; T161-V163 PolarHBondContact O-N 3.18Å; T161-V163 PolarHBondContact OG1-N 3.37Å; T161-D164 WeakPolarHBondContact CB-OD2 3.35Å; T161-D164 WeakPolarHBondContact CG2-OD2 3.48Å; T161-D164 PolarHBondContact N-OD2 3.27Å; T161-D164 PolarHBondContact O-N 2.92Å; T161-D164 PolarHBondContact OG1-N 3.02Å; T161-D164 VanDerWaalsContact OG1-N 3.16Å; T161-D164 PolarHBondContact OG1-OD2 2.77Å; T161-A165 WeakPolarHBondContact O-CB 3.45Å; T161-A165 PolarHBondContact O-N 3.19Å; T161-D189 WeakPolarHBondContact CA-OD1 2.89Å
162V97.9Very high97.5Very high0 Ų039.3 Ų39.30%019%0.186CC..Hα-helixtrans-58.6-32.9173.264.90000112.3L33 M155 I166 L185 D189L33-V162 HydrophobicContact CD1-CG2 4.42Å; L33-V162 HydrophobicContact CD2-CG1 3.9Å; L33-V162 HydrophobicContact CD2-CG2 4.27Å; M155-V162 HydrophobicContact CE-CB 3.9Å; M155-V162 HydrophobicContact CE-CG2 4.5Å; M155-V162 HydrophobicContact SD-CB 3.98Å; M155-V162 HydrophobicContact SD-CG2 4.18Å; V162-I166 HydrophobicContact CG2-CD1 3.94Å; V162-I166 HydrophobicContact CG2-CG1 4.5Å; V162-I166 WeakPolarHBondContact O-CB 3.12Å; V162-I166 WeakPolarHBondContact O-CD1 3.47Å; V162-I166 WeakPolarHBondContact O-CG1 3.45Å; V162-I166 PolarHBondContact O-N 3.48Å; V162-L185 HydrophobicContact CG2-CB 3.97Å; V162-D189 HydrophobicContact CB-CB 3.96Å; V162-D189 HydrophobicContact CG1-CB 3.92Å; V162-D189 PolarHBondContact N-OD1 2.92Å
163V96.8Very high97.3Very high25 Ų2539.4 Ų39.415%0.15219%0.186CC..Hα-helixtrans-69.1-50.8178.5176.30000109.9Y25 P28 L33 L36 T161 A165 I166 E167Y25-V163 HydrophobicContact CE2-CB 4.48Å; Y25-V163 HydrophobicContact CE2-CG2 4.24Å; P28-V163 HydrophobicContact CG-CG2 3.49Å; P28-V163 VanDerWaalsContact CG-CG2 3.49Å; L33-V163 HydrophobicContact CD2-CG2 4.41Å; L36-V163 HydrophobicContact CD1-CG1 4.35Å; L36-V163 HydrophobicContact CD1-CG2 4.43Å; T161-V163 PolarHBondContact O-N 3.18Å; T161-V163 PolarHBondContact OG1-N 3.37Å; V163-A165 VanDerWaalsContact C-N 3.3Å; V163-A165 PolarHBondContact O-N 3.45Å; V163-I166 PolarHBondContact O-N 2.94Å; V163-I166 VanDerWaalsContact O-N 3.17Å; V163-E167 HydrophobicContact CG1-CG 4.5Å; V163-E167 WeakPolarHBondContact O-CG 2.99Å; V163-E167 PolarHBondContact O-N 3.04Å
164D97.6Very high97.1Very high76 Ų7639.9 Ų39.941%0.40619%0.19SC..Hα-helixtrans-60.6-41.8-179.8-55.9-44.1000111.3M160 T161 E167 Q168M160-D164 HydrophobicContact CB-CB 4.08Å; M160-D164 HydrophobicContact CG-CB 4.34Å; T161-D164 WeakPolarHBondContact CB-OD2 3.35Å; T161-D164 WeakPolarHBondContact CG2-OD2 3.48Å; T161-D164 PolarHBondContact N-OD2 3.27Å; T161-D164 PolarHBondContact O-N 2.92Å; T161-D164 PolarHBondContact OG1-N 3.02Å; T161-D164 VanDerWaalsContact OG1-N 3.16Å; T161-D164 PolarHBondContact OG1-OD2 2.77Å; D164-E167 PolarHBondContact O-N 3.28Å; D164-Q168 VanDerWaalsContact O-CB 3.26Å; D164-Q168 WeakPolarHBondContact O-CB 3.39Å; D164-Q168 PolarHBondContact O-N 3.45Å
165A98.4Very high96.9Very high0 Ų040 Ų400%019%0.19CC..Hα-helixtrans-62.6-45.3176.900000111.6L151 L154 M155 M160 T161 V163 Q168 V169L151-A165 HydrophobicContact CD2-CB 3.82Å; L151-A165 WeakPolarHBondContact CD2-O 3.44Å; L154-A165 HydrophobicContact CB-CB 4.04Å; L154-A165 HydrophobicContact CD1-CB 4.39Å; M155-A165 HydrophobicContact CG-CB 3.93Å; M160-A165 HydrophobicContact CB-CB 4.27Å; M160-A165 HydrophobicContact SD-CB 4.46Å; T161-A165 WeakPolarHBondContact O-CB 3.45Å; T161-A165 PolarHBondContact O-N 3.19Å; V163-A165 VanDerWaalsContact C-N 3.3Å; V163-A165 PolarHBondContact O-N 3.45Å; A165-Q168 PolarHBondContact O-N 3.09Å; A165-V169 WeakPolarHBondContact O-CG2 3.2Å; A165-V169 PolarHBondContact O-N 2.86Å; A165-V169 VanDerWaalsContact O-N 3.09Å
166I97.2Very high96.7Very high2 Ų244 Ų441%0.0121%0.211CC..Hα-helixtrans-61.4-46.9177.5-75.4169.2000110.5L33 L36 F37 L151 V162 V163 V169 S170 L182L33-I166 HydrophobicContact CD2-CD1 4.11Å; L36-I166 HydrophobicContact CB-CG2 4.08Å; L36-I166 HydrophobicContact CD1-CB 4.39Å; L36-I166 HydrophobicContact CD1-CD1 4.21Å; L36-I166 HydrophobicContact CD1-CG2 4Å; F37-I166 HydrophobicContact CD1-CG2 4.47Å; F37-I166 HydrophobicContact CE1-CG2 3.67Å; F37-I166 HydrophobicContact CE2-CD1 4.43Å; F37-I166 HydrophobicContact CZ-CD1 3.96Å; F37-I166 HydrophobicContact CZ-CG1 4.06Å; F37-I166 HydrophobicContact CZ-CG2 3.73Å; L151-I166 HydrophobicContact CD1-CG1 4.02Å; L151-I166 HydrophobicContact CD2-CB 4.48Å; L151-I166 HydrophobicContact CD2-CG1 4.02Å; V162-I166 HydrophobicContact CG2-CD1 3.94Å; V162-I166 HydrophobicContact CG2-CG1 4.5Å; V162-I166 WeakPolarHBondContact O-CB 3.12Å; V162-I166 WeakPolarHBondContact O-CD1 3.47Å; V162-I166 WeakPolarHBondContact O-CG1 3.45Å; V162-I166 PolarHBondContact O-N 3.48Å; V163-I166 PolarHBondContact O-N 2.94Å; V163-I166 VanDerWaalsContact O-N 3.17Å; I166-V169 PolarHBondContact O-N 3.36Å; I166-S170 WeakPolarHBondContact O-CB 3.49Å; I166-S170 PolarHBondContact O-N 3.28Å; I166-S170 PolarHBondContact O-OG 2.88Å; I166-L182 HydrophobicContact CD1-CD2 4.43Å
167E95.5Very high96.6Very high77 Ų7742.5 Ų42.536%0.3620%0.204SC..Hα-helixtrans-63.1-45179.3-71.2-16717500111.8V163 D164 V169 S170 R171V163-E167 HydrophobicContact CG1-CG 4.5Å; V163-E167 WeakPolarHBondContact O-CG 2.99Å; V163-E167 PolarHBondContact O-N 3.04Å; D164-E167 PolarHBondContact O-N 3.28Å; E167-V169 PolarHBondContact O-N 3.07Å; E167-S170 PolarHBondContact O-N 3.41Å; E167-R171 WeakPolarHBondContact O-CG 3.43Å; E167-R171 PolarHBondContact O-N 3.34Å; E167-R171 VanDerWaalsContact O-N 3.09Å; E167-R171 IonicContact OE2-NH2 3.87Å; E167-R171 PolarHBondContact OE2-NH2 3.18Å
168Q97.3Very high96.6Very high35 Ų3539.8 Ų39.816%0.16420%0.195CC..Hα-helixtrans-55-52178.1173.65738.400111.2V50 W51 L154 M160 D164 A165 H172V50-Q168 PolarHBondContact O-NE2 3.4Å; W51-Q168 HydrophobicContact CE3-CG 4Å; W51-Q168 HydrophobicContact CZ3-CG 4.39Å; L154-Q168 HydrophobicContact CD1-CB 4.43Å; L154-Q168 HydrophobicContact CD1-CG 4.08Å; M160-Q168 HydrophobicContact CE-CG 4.42Å; M160-Q168 HydrophobicContact SD-CB 4.39Å; D164-Q168 VanDerWaalsContact O-CB 3.26Å; D164-Q168 WeakPolarHBondContact O-CB 3.39Å; D164-Q168 PolarHBondContact O-N 3.45Å; A165-Q168 PolarHBondContact O-N 3.09Å; Q168-H172 PolarHBondContact NE2-CE1 2.88Å; Q168-H172 PolarHBondContact O-ND1 2.68Å
169V97.3Very high96.5Very high0 Ų042.6 Ų42.60%020%0.204CC..Hα-helixtrans-72-41.1-177.5179.30000111.2V50 I56 V150 L151 L154 A165 I166 E167 R171 H172 R173 I175V50-V169 HydrophobicContact CB-CG1 4.15Å; V50-V169 HydrophobicContact CB-CG2 4.42Å; V50-V169 HydrophobicContact CG1-CG1 4.11Å; V50-V169 HydrophobicContact CG2-CG1 4.43Å; V50-V169 HydrophobicContact CG2-CG2 4.36Å; I56-V169 HydrophobicContact CD1-CG1 3.66Å; V150-V169 HydrophobicContact CG1-CG2 4.08Å; L151-V169 HydrophobicContact CD2-CB 4.13Å; L151-V169 HydrophobicContact CD2-CG2 3.8Å; L154-V169 HydrophobicContact CD1-CG2 3.67Å; A165-V169 WeakPolarHBondContact O-CG2 3.2Å; A165-V169 PolarHBondContact O-N 2.86Å; A165-V169 VanDerWaalsContact O-N 3.09Å; I166-V169 PolarHBondContact O-N 3.36Å; E167-V169 PolarHBondContact O-N 3.07Å; V169-R171 VanDerWaalsContact C-N 3.25Å; V169-R171 PolarHBondContact O-N 2.9Å; V169-H172 PolarHBondContact O-N 3.2Å; V169-R173 PolarHBondContact O-N 3.1Å; V169-I175 HydrophobicContact CB-CD1 3.97Å; V169-I175 HydrophobicContact CG1-CD1 3.69Å; V169-I175 HydrophobicContact CG1-CG1 4.13Å; V169-I175 HydrophobicContact CG1-CG2 3.82Å
170S94.9Very high96.5Very high29 Ų2937.8 Ų37.820%0.20318%0.181CC..Hα-helixtrans-69.1-21.2-175.6-55.90000113.5P42 I166 E167 H172 R173 I175P42-S170 WeakPolarHBondContact CD-O 3.42Å; P42-S170 WeakPolarHBondContact CG-O 3.34Å; I166-S170 WeakPolarHBondContact O-CB 3.49Å; I166-S170 PolarHBondContact O-N 3.28Å; I166-S170 PolarHBondContact O-OG 2.88Å; E167-S170 PolarHBondContact O-N 3.41Å; S170-H172 PolarHBondContact O-N 3.48Å; S170-R173 WeakPolarHBondContact CA-O 3.44Å; S170-I175 WeakPolarHBondContact OG-CG1 3.14Å
171R94Very high96.5Very high160 Ų16036.5 Ų36.560%0.60417%0.174SC*.THydrogen-bonded Turntrans-64.8-29.2170.7-75.1166.7-165.7166.57.8112.7P42 E167 V169P42-R171 WeakPolarHBondContact CG-O 3.41Å; E167-R171 WeakPolarHBondContact O-CG 3.43Å; E167-R171 PolarHBondContact O-N 3.34Å; E167-R171 VanDerWaalsContact O-N 3.09Å; E167-R171 IonicContact OE2-NH2 3.87Å; E167-R171 PolarHBondContact OE2-NH2 3.18Å; V169-R171 VanDerWaalsContact C-N 3.25Å; V169-R171 PolarHBondContact O-N 2.9Å
172H95.6Very high96.4Very high80 Ų8035.8 Ų35.837%0.3717%0.17SC..THydrogen-bonded Turntrans-107.4-29.6-172.4-59.390.4000113N48 E49 V50 Q168 V169 S170N48-H172 VanDerWaalsContact CG-O 3.32Å; N48-H172 PolarHBondContact ND2-O 3.2Å; E49-H172 WeakPolarHBondContact O-CB 3.46Å; V50-H172 HydrophobicContact CB-CB 4.32Å; V50-H172 HydrophobicContact CG1-CB 4.03Å; Q168-H172 PolarHBondContact NE2-CE1 2.88Å; Q168-H172 PolarHBondContact O-ND1 2.68Å; V169-H172 PolarHBondContact O-N 3.2Å; S170-H172 PolarHBondContact O-N 3.48Å
173R95.3Very high96.4Very high1 Ų140.3 Ų40.30%0.00419%0.189CC..SBendtrans-142.3143-177.1-172.6171.5-179.382.9-4.5112.6T45 H46 N48 V50 I56 M141 G142 V169 S170 I175T45-R173 PolarHBondContact O-NH1 2.97Å; H46-R173 PolarHBondContact O-NH1 3.26Å; H46-R173 PolarHBondContact O-NH2 2.98Å; N48-R173 HydrophobicContact CB-CB 4.03Å; N48-R173 HydrophobicContact CB-CG 4.41Å; N48-R173 WeakPolarHBondContact OD1-CG 3.38Å; N48-R173 PolarHBondContact OD1-NH1 2.84Å; V50-R173 HydrophobicContact CG1-CB 3.9Å; I56-R173 PolarHBondContact O-NH1 3.37Å; M141-R173 PolarHBondContact O-NH2 3.25Å; G142-R173 PolarHBondContact O-NE 3.4Å; V169-R173 PolarHBondContact O-N 3.1Å; S170-R173 WeakPolarHBondContact CA-O 3.44Å; R173-I175 HydrophobicContact CB-CG2 4.32Å; R173-I175 HydrophobicContact CG-CG2 4.17Å; R173-I175 PolarHBondContact O-N 2.84Å
174C94.1Very high96.4Very high12 Ų1240 Ų408%0.08119%0.186CC..  trans-74.186.7174-168.10000113.2C41 R143C41-C174 HydrophobicContact CB-CB 3.66Å; C41-C174 WeakPolarHBondContact CB-SG 3.19Å; C41-C174 WeakPolarHBondContact SG-CA 3.48Å; C41-C174 WeakPolarHBondContact SG-CB 3.3Å; C41-C174 CovalentContact SG-SG 2.02Å; C41-C174 PolarHBondContact SG-SG 3.24Å; R143-C174 PolarHBondContact NE-O 3.38Å; R143-C174 PolarHBondContact NH2-SG 2.96Å; R143-C174 VanDerWaalsContact NH2-SG 3.38Å
175I95.3Very high96.5Very high2 Ų236.4 Ų36.41%0.0117%0.167CC..  trans-98.1151.5177.959.8155.4000111.8F37 I56 A147 L151 V169 S170 R173F37-I175 HydrophobicContact CD1-CG1 4.45Å; F37-I175 VanDerWaalsContact CD1-O 3.25Å; F37-I175 WeakPolarHBondContact CD1-O 3.04Å; F37-I175 HydrophobicContact CE1-CD1 3.91Å; F37-I175 HydrophobicContact CE1-CG1 3.89Å; I56-I175 HydrophobicContact CD1-CG2 4.48Å; A147-I175 HydrophobicContact CB-CB 3.79Å; A147-I175 HydrophobicContact CB-CD1 4.33Å; A147-I175 HydrophobicContact CB-CG2 3.49Å; A147-I175 VanDerWaalsContact CB-CG2 3.49Å; L151-I175 HydrophobicContact CD1-CD1 4.01Å; L151-I175 HydrophobicContact CD2-CD1 4.3Å; L151-I175 HydrophobicContact CG-CD1 4.44Å; V169-I175 HydrophobicContact CB-CD1 3.97Å; V169-I175 HydrophobicContact CG1-CD1 3.69Å; V169-I175 HydrophobicContact CG1-CG1 4.13Å; V169-I175 HydrophobicContact CG1-CG2 3.82Å; S170-I175 WeakPolarHBondContact OG-CG1 3.14Å; R173-I175 HydrophobicContact CB-CG2 4.32Å; R173-I175 HydrophobicContact CG-CG2 4.17Å; R173-I175 PolarHBondContact O-N 2.84Å
176L95.4Very high96.4Very high85 Ų8536.8 Ų36.845%0.44517%0.168SC..  trans-156.879.5172.3-174.464.8000108.7F37 R143F37-L176 HydrophobicContact CB-CD1 3.63Å; F37-L176 HydrophobicContact CD1-CD1 4.4Å; F37-L176 HydrophobicContact CD2-CD1 3.7Å; F37-L176 HydrophobicContact CE2-CD1 4.5Å; F37-L176 HydrophobicContact CG-CD1 3.64Å; R143-L176 CarbonylContact O-C 3.35Å; R143-L176 PolarHBondContact O-N 3.16Å
177P97.4Very high96.4Very high3 Ų341.3 Ų41.32%0.01919%0.189CC..  trans-53.5143.2171.2-2636.4000111.9F37 T148 L151 F181 L182F37-P177 HydrophobicContact CZ-CG 4.48Å; T148-P177 WeakPolarHBondContact OG1-CB 3.27Å; L151-P177 HydrophobicContact CD1-CG 3.99Å; P177-F181 HydrophobicContact CB-CB 4.2Å; P177-L182 HydrophobicContact CB-CD2 3.85Å; P177-L182 HydrophobicContact CB-CG 4.09Å; P177-L182 HydrophobicContact CG-CD2 4.13Å
178N97.1Very high96.5Very high25 Ų2538.2 Ų38.213%0.13418%0.175CC..  trans-64.3160.4175.176.656000111.3D107 P109 S144 G180 F181 L182D107-N178 PolarHBondContact OD1-ND2 2.96Å; P109-N178 WeakPolarHBondContact CA-OD1 3.47Å; P109-N178 HydrophobicContact CG-CB 4.32Å; S144-N178 PolarHBondContact OG-N 3.03Å; N178-G180 PolarHBondContact O-N 2.96Å; N178-G180 VanDerWaalsContact O-N 3.16Å; N178-G180 WeakPolarHBondContact OD1-CA 3.34Å; N178-G180 PolarHBondContact OD1-N 2.97Å; N178-F181 WeakPolarHBondContact ND2-CD2 3.47Å; N178-F181 WeakPolarHBondContact ND2-CE2 3.38Å; N178-F181 WeakPolarHBondContact ND2-CG 3.44Å; N178-F181 VanDerWaalsContact ND2-CZ 3.3Å; N178-F181 WeakPolarHBondContact ND2-CZ 3.41Å; N178-F181 PolarHBondContact O-N 3.07Å; N178-F181 PolarHBondContact OD1-N 2.99Å; N178-L182 PolarHBondContact O-N 3.1Å
179R95.7Very high96.6Very high127 Ų12736.6 Ų36.648%0.47917%0.168SC..Hα-helixtrans-58.3-33.3-174.7-54.7-175.770.4-167.41.9113.5E34 K183E34-R179 WeakPolarHBondContact OE1-CG 3.4Å; E34-R179 IonicContact OE1-CZ 3.03Å; E34-R179 IonicContact OE1-NE 3.84Å; E34-R179 PolarHBondContact OE1-NE 3.02Å; E34-R179 IonicContact OE1-NH2 3.07Å; E34-R179 PolarHBondContact OE1-NH2 3.16Å; E34-R179 IonicContact OE2-NE 3.94Å; E34-R179 IonicContact OE2-NH2 3.6Å; R179-K183 PolarHBondContact O-N 3.09Å
180G97.1Very high96.5Very high11 Ų1137.5 Ų37.511%0.11317%0.173CC..Hα-helixtrans-68.7-39.9176.900000112.3P109 N178 K183 Q184P109-G180 WeakPolarHBondContact O-CA 3.4Å; N178-G180 PolarHBondContact O-N 2.96Å; N178-G180 VanDerWaalsContact O-N 3.16Å; N178-G180 WeakPolarHBondContact OD1-CA 3.34Å; N178-G180 PolarHBondContact OD1-N 2.97Å; G180-K183 WeakPolarHBondContact O-CB 3.46Å; G180-K183 PolarHBondContact O-N 3.2Å; G180-Q184 VanDerWaalsContact O-CG 3.3Å; G180-Q184 WeakPolarHBondContact O-CG 3.33Å; G180-Q184 PolarHBondContact O-N 2.93Å; G180-Q184 PolarHBondContact O-NE2 2.96Å
181F98.1Very high96.6Very high0 Ų038.4 Ų38.40%018%0.182CC..Hα-helixtrans-69.5-39.4175.3-65.7-8.6000112.2D106 F111 L113 S144 R145 T148 P177 N178 K183 Q184 L185D106-F181 WeakPolarHBondContact O-CZ 3.35Å; F111-F181 HydrophobicContact CB-CE1 4.25Å; F111-F181 HydrophobicContact CD1-CE1 4.33Å; F111-F181 HydrophobicContact CD1-CZ 4.49Å; L113-F181 HydrophobicContact CB-CD1 3.89Å; L113-F181 HydrophobicContact CB-CE1 3.61Å; L113-F181 HydrophobicContact CB-CZ 4.1Å; L113-F181 HydrophobicContact CD2-CD1 4.21Å; L113-F181 HydrophobicContact CD2-CD2 3.91Å; L113-F181 HydrophobicContact CD2-CE1 4.08Å; L113-F181 HydrophobicContact CD2-CE2 3.76Å; L113-F181 HydrophobicContact CD2-CG 4.14Å; L113-F181 HydrophobicContact CD2-CZ 3.85Å; L113-F181 HydrophobicContact CG-CE1 4.47Å; S144-F181 WeakPolarHBondContact OG-CD2 3.26Å; R145-F181 HydrophobicContact CB-CE2 4.42Å; R145-F181 HydrophobicContact CG-CE2 3.67Å; R145-F181 HydrophobicContact CG-CZ 4.1Å; T148-F181 HydrophobicContact CG2-CB 3.85Å; T148-F181 HydrophobicContact CG2-CG 4.27Å; T148-F181 WeakPolarHBondContact OG1-CD2 3.5Å; P177-F181 HydrophobicContact CB-CB 4.2Å; N178-F181 WeakPolarHBondContact ND2-CD2 3.47Å; N178-F181 WeakPolarHBondContact ND2-CE2 3.38Å; N178-F181 WeakPolarHBondContact ND2-CG 3.44Å; N178-F181 VanDerWaalsContact ND2-CZ 3.3Å; N178-F181 WeakPolarHBondContact ND2-CZ 3.41Å; N178-F181 PolarHBondContact O-N 3.07Å; N178-F181 PolarHBondContact OD1-N 2.99Å; F181-K183 VanDerWaalsContact C-N 3.3Å; F181-K183 PolarHBondContact O-N 3.23Å; F181-Q184 WeakPolarHBondContact O-CB 3.21Å; F181-Q184 PolarHBondContact O-N 3.39Å; F181-Q184 VanDerWaalsContact O-N 3.14Å; F181-L185 WeakPolarHBondContact O-CG 3.42Å; F181-L185 PolarHBondContact O-N 3.3Å
182L97.1Very high96.7Very high1 Ų131.2 Ų31.21%0.00516%0.155CC..Hα-helixtrans-60.6-40.8172.5-66.9176.8000111.8E34 F37 I166 P177 N178 Q184 L185 R186E34-L182 HydrophobicContact CG-CD1 3.58Å; F37-L182 HydrophobicContact CE2-CD1 4.05Å; F37-L182 HydrophobicContact CE2-CD2 3.82Å; F37-L182 HydrophobicContact CZ-CD2 4.09Å; I166-L182 HydrophobicContact CD1-CD2 4.43Å; P177-L182 HydrophobicContact CB-CD2 3.85Å; P177-L182 HydrophobicContact CB-CG 4.09Å; P177-L182 HydrophobicContact CG-CD2 4.13Å; N178-L182 PolarHBondContact O-N 3.1Å; L182-Q184 VanDerWaalsContact C-N 3.33Å; L182-Q184 PolarHBondContact O-N 3.48Å; L182-L185 PolarHBondContact O-N 2.99Å; L182-R186 WeakPolarHBondContact O-CB 3.28Å; L182-R186 PolarHBondContact O-N 3.29Å
183K96.4Very high96.7Very high95 Ų9528.3 Ų28.341%0.41315%0.145SC..Hα-helixtrans-61.3-42.4173.4-177-176.1172.4-167.90111.8R179 G180 F181 R186 E187R179-K183 PolarHBondContact O-N 3.09Å; G180-K183 WeakPolarHBondContact O-CB 3.46Å; G180-K183 PolarHBondContact O-N 3.2Å; F181-K183 VanDerWaalsContact C-N 3.3Å; F181-K183 PolarHBondContact O-N 3.23Å; K183-R186 WeakPolarHBondContact O-CB 3.38Å; K183-R186 PolarHBondContact O-N 2.8Å; K183-E187 VanDerWaalsContact CE-OE1 3.23Å; K183-E187 WeakPolarHBondContact CE-OE1 3.35Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 3.41Å
184Q98.3Very high96.6Very high20 Ų2031.5 Ų31.59%0.09316%0.162CC..Hα-helixtrans-66.1-39.8178-72.7170.157.700112.3F111 S114 F117 G180 F181 L182 E187 L188F111-Q184 PolarHBondContact O-NE2 3.37Å; S114-Q184 PolarHBondContact OG-OE1 2.9Å; F117-Q184 HydrophobicContact CE2-CB 4.18Å; F117-Q184 HydrophobicContact CZ-CB 3.99Å; G180-Q184 VanDerWaalsContact O-CG 3.3Å; G180-Q184 WeakPolarHBondContact O-CG 3.33Å; G180-Q184 PolarHBondContact O-N 2.93Å; G180-Q184 PolarHBondContact O-NE2 2.96Å; F181-Q184 WeakPolarHBondContact O-CB 3.21Å; F181-Q184 PolarHBondContact O-N 3.39Å; F181-Q184 VanDerWaalsContact O-N 3.14Å; L182-Q184 VanDerWaalsContact C-N 3.33Å; L182-Q184 PolarHBondContact O-N 3.48Å; Q184-E187 PolarHBondContact O-N 3.05Å; Q184-L188 PolarHBondContact O-N 3.31Å
185L98.4Very high96.5Very high0 Ų036.2 Ų36.20%018%0.183CC..Hα-helixtrans-64.5-40.1172.6-72.7170.7000111.7F117 T148 L151 A152 M155 V162 F181 L182 E187 L188 D189F117-L185 HydrophobicContact CE2-CD2 4.24Å; F117-L185 HydrophobicContact CZ-CD2 4.09Å; F117-L185 HydrophobicContact CZ-CG 4.38Å; T148-L185 HydrophobicContact CG2-CD1 3.92Å; T148-L185 HydrophobicContact CG2-CD2 4.08Å; T148-L185 HydrophobicContact CG2-CG 3.88Å; L151-L185 HydrophobicContact CB-CD1 4.02Å; L151-L185 HydrophobicContact CB-CD2 4.1Å; L151-L185 HydrophobicContact CD1-CD1 3.68Å; A152-L185 HydrophobicContact CB-CD2 4.03Å; M155-L185 WeakPolarHBondContact CE-O 3.15Å; M155-L185 HydrophobicContact SD-CD2 3.93Å; V162-L185 HydrophobicContact CG2-CB 3.97Å; F181-L185 WeakPolarHBondContact O-CG 3.42Å; F181-L185 PolarHBondContact O-N 3.3Å; L182-L185 PolarHBondContact O-N 2.99Å; L185-E187 VanDerWaalsContact C-N 3.32Å; L185-E187 PolarHBondContact O-N 2.62Å; L185-L188 WeakPolarHBondContact O-CB 3.37Å; L185-L188 PolarHBondContact O-N 3.19Å; L185-D189 PolarHBondContact O-N 3.15Å
186R97.1Very high96.3Very high8 Ų838.8 Ų38.83%0.0319%0.192CC..Hα-helixtrans-60.1-41.5173.9-179175.3170.4-102.58.5112.3N12 A13 T15 T27 P28 L33 L182 K183 D189 I190N12-R186 PolarHBondContact O-NH2 3.28Å; A13-R186 VanDerWaalsContact CA-NH1 3.28Å; A13-R186 PolarHBondContact O-NH1 3.19Å; A13-R186 PolarHBondContact O-NH2 3.44Å; T15-R186 PolarHBondContact O-NH2 3.27Å; T27-R186 HydrophobicContact CG2-CG 3.66Å; P28-R186 WeakPolarHBondContact O-CD 3.39Å; P28-R186 PolarHBondContact O-NE 3.45Å; L33-R186 HydrophobicContact CD1-CB 4Å; L182-R186 WeakPolarHBondContact O-CB 3.28Å; L182-R186 PolarHBondContact O-N 3.29Å; K183-R186 WeakPolarHBondContact O-CB 3.38Å; K183-R186 PolarHBondContact O-N 2.8Å; R186-D189 PolarHBondContact O-N 3.05Å; R186-I190 HydrophobicContact CG-CD1 4.4Å; R186-I190 WeakPolarHBondContact O-CG1 3.49Å; R186-I190 PolarHBondContact O-N 2.85Å; R186-I190 VanDerWaalsContact O-N 3.14Å
187E97.5Very high96.1Very high96 Ų9638.1 Ų38.145%0.44918%0.184SC..Hα-helixtrans-64.4-40.3175.4-72.5169.3-174.800111.6K183 Q184 L185 A191K183-E187 VanDerWaalsContact CE-OE1 3.23Å; K183-E187 WeakPolarHBondContact CE-OE1 3.35Å; K183-E187 WeakPolarHBondContact O-CG 3.44Å; K183-E187 PolarHBondContact O-N 3.41Å; Q184-E187 PolarHBondContact O-N 3.05Å; L185-E187 VanDerWaalsContact C-N 3.32Å; L185-E187 PolarHBondContact O-N 2.62Å; E187-A191 PolarHBondContact O-N 2.93Å; E187-A191 VanDerWaalsContact O-N 3.14Å
188L98.3Very high95.7Very high12 Ų1242 Ų426%0.06321%0.205CC..Hα-helixtrans-61-45.5172.7178.166.3000111.8F117 Y118 A152 M155 I156 Q184 L185 I190 A191 L192F117-L188 HydrophobicContact CD2-CB 4.39Å; F117-L188 HydrophobicContact CD2-CD2 3.83Å; F117-L188 HydrophobicContact CE2-CB 4.38Å; F117-L188 HydrophobicContact CE2-CD2 4.26Å; Y118-L188 HydrophobicContact CE2-CD1 4.43Å; A152-L188 HydrophobicContact CB-CD2 3.88Å; M155-L188 HydrophobicContact CB-CD2 4.39Å; M155-L188 HydrophobicContact CE-CB 4.1Å; M155-L188 HydrophobicContact CE-CD2 3.86Å; M155-L188 HydrophobicContact CE-CG 3.88Å; M155-L188 HydrophobicContact SD-CD2 4.17Å; I156-L188 HydrophobicContact CD1-CD1 4.36Å; I156-L188 HydrophobicContact CD1-CD2 4.16Å; I156-L188 HydrophobicContact CG1-CD1 4.24Å; I156-L188 HydrophobicContact CG1-CD2 4.16Å; Q184-L188 PolarHBondContact O-N 3.31Å; L185-L188 WeakPolarHBondContact O-CB 3.37Å; L185-L188 PolarHBondContact O-N 3.19Å; L188-I190 PolarHBondContact O-N 2.99Å; L188-A191 PolarHBondContact O-N 2.83Å; L188-A191 VanDerWaalsContact O-N 3.16Å; L188-L192 HydrophobicContact CD1-CD1 4Å; L188-L192 HydrophobicContact CD1-CG 4.04Å; L188-L192 HydrophobicContact CD2-CD1 4.38Å; L188-L192 HydrophobicContact CG-CD1 3.82Å; L188-L192 HydrophobicContact CG-CG 4.26Å; L188-L192 WeakPolarHBondContact O-CG 3.19Å; L188-L192 PolarHBondContact O-N 3.18Å
189D98.1Very high95.3Very high1 Ų144.5 Ų44.51%0.00522%0.22CC..Hα-helixtrans-59.4-45.9-179.6-169.263000112.2Y25 T27 M155 T161 V162 L185 R186 A191 L192 A193Y25-D189 WeakPolarHBondContact CE1-OD2 3.21Å; Y25-D189 PolarHBondContact OH-OD2 3.36Å; T27-D189 VanDerWaalsContact CB-OD2 3.28Å; T27-D189 WeakPolarHBondContact CB-OD2 3.48Å; T27-D189 HydrophobicContact CG2-CB 4.08Å; T27-D189 WeakPolarHBondContact CG2-OD2 3.25Å; T27-D189 PolarHBondContact OG1-OD2 3.32Å; M155-D189 HydrophobicContact CE-CB 3.58Å; T161-D189 WeakPolarHBondContact CA-OD1 2.89Å; V162-D189 HydrophobicContact CB-CB 3.96Å; V162-D189 HydrophobicContact CG1-CB 3.92Å; V162-D189 PolarHBondContact N-OD1 2.92Å; L185-D189 PolarHBondContact O-N 3.15Å; R186-D189 PolarHBondContact O-N 3.05Å; D189-A191 VanDerWaalsContact C-N 3.33Å; D189-A191 PolarHBondContact O-N 2.78Å; D189-L192 PolarHBondContact O-N 3.03Å; D189-A193 WeakPolarHBondContact O-CB 3.48Å; D189-A193 PolarHBondContact O-N 3.17Å
190I95.9Very high94.8Very high20 Ų2044.9 Ų44.910%0.10323%0.226CC..Hα-helixtrans-60.3-44.1175.4-66.8166.4000110.7V17 V19 T27 R186 L188 A193 L194V17-I190 HydrophobicContact CB-CD1 4.2Å; V17-I190 HydrophobicContact CB-CG1 4.4Å; V17-I190 HydrophobicContact CG1-CD1 4.34Å; V17-I190 HydrophobicContact CG1-CG1 4.41Å; V17-I190 HydrophobicContact CG2-CD1 4.02Å; V19-I190 HydrophobicContact CG2-CG2 4.09Å; T27-I190 HydrophobicContact CG2-CD1 4.4Å; T27-I190 HydrophobicContact CG2-CG1 3.88Å; R186-I190 HydrophobicContact CG-CD1 4.4Å; R186-I190 WeakPolarHBondContact O-CG1 3.49Å; R186-I190 PolarHBondContact O-N 2.85Å; R186-I190 VanDerWaalsContact O-N 3.14Å; L188-I190 PolarHBondContact O-N 2.99Å; I190-A193 PolarHBondContact O-N 3.37Å; I190-L194 HydrophobicContact CG2-CD1 4.24Å; I190-L194 WeakPolarHBondContact O-CG 3.47Å; I190-L194 PolarHBondContact O-N 3.38Å
191A96.9Very high94.1Very high48 Ų4849.8 Ų49.840%0.39725%0.249SC..Hα-helixtrans-65-44.9-179.800000111.9E187 L188 D189 L194 Q195E187-A191 PolarHBondContact O-N 2.93Å; E187-A191 VanDerWaalsContact O-N 3.14Å; L188-A191 PolarHBondContact O-N 2.83Å; L188-A191 VanDerWaalsContact O-N 3.16Å; D189-A191 VanDerWaalsContact C-N 3.33Å; D189-A191 PolarHBondContact O-N 2.78Å; A191-L194 PolarHBondContact O-N 3Å; A191-Q195 PolarHBondContact O-N 3.05Å
192L96.4Very high93.4Very high8 Ų854.1 Ų54.14%0.04228%0.28CS..Hα-helixtrans-65.6-40.4177.3-69174.2000111.6M155 I156 L188 D189 L194 Q195 R196M155-L192 HydrophobicContact CB-CD1 3.79Å; M155-L192 HydrophobicContact CE-CD1 4.38Å; I156-L192 HydrophobicContact CG1-CD1 4.21Å; L188-L192 HydrophobicContact CD1-CD1 4Å; L188-L192 HydrophobicContact CD1-CG 4.04Å; L188-L192 HydrophobicContact CD2-CD1 4.38Å; L188-L192 HydrophobicContact CG-CD1 3.82Å; L188-L192 HydrophobicContact CG-CG 4.26Å; L188-L192 WeakPolarHBondContact O-CG 3.19Å; L188-L192 PolarHBondContact O-N 3.18Å; D189-L192 PolarHBondContact O-N 3.03Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 3.12Å; L192-Q195 PolarHBondContact O-N 2.79Å; L192-R196 WeakPolarHBondContact O-CB 3.3Å; L192-R196 WeakPolarHBondContact O-CD 3.45Å; L192-R196 WeakPolarHBondContact O-CG 3.46Å; L192-R196 PolarHBondContact O-N 3.27Å
193A94.1Very high92.2Very high19 Ų1959.7 Ų59.716%0.15731%0.309CS..Hα-helixtrans-60.9-41.9174.700000111.8V19 D189 I190 R196 R197V19-A193 HydrophobicContact CB-CB 3.87Å; V19-A193 HydrophobicContact CG1-CB 3.78Å; V19-A193 HydrophobicContact CG2-CB 4.05Å; D189-A193 WeakPolarHBondContact O-CB 3.48Å; D189-A193 PolarHBondContact O-N 3.17Å; I190-A193 PolarHBondContact O-N 3.37Å; A193-R196 PolarHBondContact O-N 2.9Å; A193-R197 WeakPolarHBondContact O-CB 3.34Å; A193-R197 PolarHBondContact O-N 3.43Å
194L93.6Very high90.4Very high69 Ų6960.4 Ų60.436%0.36132%0.323SS..Hα-helixtrans-63.6-43.7175.4-77.5169.2000111.5V19 I190 A191 L192 R197 N198V19-L194 HydrophobicContact CG1-CB 4.24Å; V19-L194 HydrophobicContact CG1-CD2 3.49Å; V19-L194 VanDerWaalsContact CG1-CD2 3.49Å; V19-L194 HydrophobicContact CG1-CG 3.55Å; I190-L194 HydrophobicContact CG2-CD1 4.24Å; I190-L194 WeakPolarHBondContact O-CG 3.47Å; I190-L194 PolarHBondContact O-N 3.38Å; A191-L194 PolarHBondContact O-N 3Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 3.12Å; L194-R197 PolarHBondContact O-N 2.99Å; L194-N198 WeakPolarHBondContact O-CB 3.41Å; L194-N198 PolarHBondContact O-N 2.84Å; L194-N198 PolarHBondContact O-ND2 3.34Å; L194-N198 PolarHBondContact O-OD1 3.42Å
195Q93.1Very high88.6Confident110 Ų11063.6 Ų63.651%0.51435%0.348SS..Hα-helixtrans-61.2-50.3177.5-176.9179.9-6.400111.2A191 L192 R197 N198 T199A191-Q195 PolarHBondContact O-N 3.05Å; L192-Q195 PolarHBondContact O-N 2.79Å; Q195-R197 VanDerWaalsContact C-N 3.31Å; Q195-R197 PolarHBondContact O-N 2.78Å; Q195-N198 PolarHBondContact O-N 2.96Å; Q195-N198 VanDerWaalsContact O-N 3.15Å; Q195-T199 PolarHBondContact O-N 3.47Å; Q195-T199 PolarHBondContact O-OG1 3.15Å; Q195-T199 VanDerWaalsContact O-OG1 3.11Å
196R91.3Very high86.5Confident57 Ų5771 Ų7122%0.21539%0.387CS..Hα-helixtrans-57.7-43.2178.7-69.2164.8-171.2169.92111.5M155 N159 M160 L192 A193 T199 K200M155-R196 PolarHBondContact O-NH2 3.5Å; N159-R196 VanDerWaalsContact OD1-CZ 3.29Å; N159-R196 PolarHBondContact OD1-NE 2.94Å; M160-R196 PolarHBondContact O-NH1 3.04Å; M160-R196 PolarHBondContact O-NH2 2.02Å; L192-R196 WeakPolarHBondContact O-CB 3.3Å; L192-R196 WeakPolarHBondContact O-CD 3.45Å; L192-R196 WeakPolarHBondContact O-CG 3.46Å; L192-R196 PolarHBondContact O-N 3.27Å; A193-R196 PolarHBondContact O-N 2.9Å; R196-T199 PolarHBondContact O-N 3.33Å; R196-K200 WeakPolarHBondContact O-CG 3.34Å; R196-K200 PolarHBondContact O-N 3.24Å
197R89.4Confident84.5Confident71 Ų7177.4 Ų77.427%0.26842%0.422SS..Hα-helixtrans-62.8-45.5176-169.9-170.570.493.311.1111.9A193 L194 Q195 T199 K200 N201A193-R197 WeakPolarHBondContact O-CB 3.34Å; A193-R197 PolarHBondContact O-N 3.43Å; L194-R197 PolarHBondContact O-N 2.99Å; Q195-R197 VanDerWaalsContact C-N 3.31Å; Q195-R197 PolarHBondContact O-N 2.78Å; R197-T199 VanDerWaalsContact C-N 3.31Å; R197-T199 PolarHBondContact O-N 2.61Å; R197-K200 PolarHBondContact O-N 3.39Å; R197-N201 PolarHBondContact O-N 3.44Å; R197-N201 PolarHBondContact O-OD1 3.31Å
198N89.9Confident82.4Confident85 Ų8580.1 Ų80.146%0.45544%0.44SS..Hα-helixtrans-64-37.4178.6-68.1-9.5000111.8L194 Q195 N201 S202L194-N198 WeakPolarHBondContact O-CB 3.41Å; L194-N198 PolarHBondContact O-N 2.84Å; L194-N198 PolarHBondContact O-ND2 3.34Å; L194-N198 PolarHBondContact O-OD1 3.42Å; Q195-N198 PolarHBondContact O-N 2.96Å; Q195-N198 VanDerWaalsContact O-N 3.15Å; N198-N201 PolarHBondContact O-N 2.71Å; N198-S202 PolarHBondContact O-N 3.03Å; N198-S202 PolarHBondContact O-OG 2.73Å
199T88.8Confident80.1Confident76 Ų7688.5 Ų88.547%0.46648%0.479SS..Hα-helixtrans-65-41.5173.9-56.20000112Q195 R196 R197 N201 S202 L203Q195-T199 PolarHBondContact O-N 3.47Å; Q195-T199 PolarHBondContact O-OG1 3.15Å; Q195-T199 VanDerWaalsContact O-OG1 3.11Å; R196-T199 PolarHBondContact O-N 3.33Å; R197-T199 VanDerWaalsContact C-N 3.31Å; R197-T199 PolarHBondContact O-N 2.61Å; T199-N201 PolarHBondContact O-N 3.17Å; T199-S202 WeakPolarHBondContact CA-OG 3Å; T199-S202 PolarHBondContact O-N 3.18Å; T199-S202 PolarHBondContact O-OG 3.28Å; T199-S202 VanDerWaalsContact O-OG 3.08Å; T199-L203 PolarHBondContact O-N 3.25Å
200K85.4Confident77.7Confident135 Ų13596.3 Ų96.359%0.58752%0.52SS*.Hα-helixtrans-59.7-45.5174.1-73.4-179.9-178.2-177.80112.1R196 R197 S202 L203R196-K200 WeakPolarHBondContact O-CG 3.34Å; R196-K200 PolarHBondContact O-N 3.24Å; R197-K200 PolarHBondContact O-N 3.39Å; K200-S202 PolarHBondContact O-N 3.02Å; K200-L203 PolarHBondContact O-N 2.85Å
201N83.1Confident75.3Confident114 Ų114102.1 Ų102.161%0.6155%0.552SS**Hα-helixtrans-71.7-12.3-177.8-68.84.3000114.2R197 N198 T199R197-N201 PolarHBondContact O-N 3.44Å; R197-N201 PolarHBondContact O-OD1 3.31Å; N198-N201 PolarHBondContact O-N 2.71Å; T199-N201 PolarHBondContact O-N 3.17Å
202S81.8Confident72.8Confident92 Ų92106.5 Ų106.564%0.64357%0.574SS**THydrogen-bonded Turntrans-100.9-3.5179.240.40000113.4N198 T199 K200N198-S202 PolarHBondContact O-N 3.03Å; N198-S202 PolarHBondContact O-OG 2.73Å; T199-S202 WeakPolarHBondContact CA-OG 3Å; T199-S202 PolarHBondContact O-N 3.18Å; T199-S202 PolarHBondContact O-OG 3.28Å; T199-S202 VanDerWaalsContact O-OG 3.08Å; K200-S202 PolarHBondContact O-N 3.02Å
203L73.4Confident70.7Confident118 Ų118111.7 Ų111.762%0.61861%0.606SS**SBendtrans-81.9129.9169.8-71.4160.1000108.9T199 K200 S205T199-L203 PolarHBondContact O-N 3.25Å; K200-L203 PolarHBondContact O-N 2.85Å; L203-S205 PolarHBondContact O-N 3.3Å
204P58.4Low68.5Low109 Ų109121.9 Ų121.971%0.70866%0.655SS**PPolyproline II helixtrans-62.2134.6176.724.3-31.3000110.4N206P204-N206 PolarHBondContact O-N 3.08Å
205S59.2Low67.3Low88 Ų88124.6 Ų124.662%0.61567%0.67SS**PPolyproline II helixtrans-60.3122.9170.1-29.90000108.1L203 D207L203-S205 PolarHBondContact O-N 3.3Å; S205-D207 PolarHBondContact O-N 3.38Å
206N54.1Low65.9Low155 Ų155125.3 Ų125.383%0.82968%0.678SS**THydrogen-bonded Turntrans-69.524.2175.7-74.9-24.2000113.3P204P204-N206 PolarHBondContact O-N 3.08Å
207D56.6Low64.5Low142 Ų142129.1 Ų129.176%0.75970%0.704SS**THydrogen-bonded Turntrans-92.5-3.2-175.1-66.2-30.6000113.2S205S205-D207 PolarHBondContact O-N 3.38Å
208D53.6Low63.1Low154 Ų154132.5 Ų132.582%0.82473%0.729SS**SBendtrans-99.71.6-177-76.8-27.6000115.1
209E49.6Very low61.4Low187 Ų187135.5 Ų135.587%0.87475%0.746SS**THydrogen-bonded Turntrans-94.115-176.3-128.4179.1-15800115.3
210N46.5Very low59.5Low165 Ų165139.5 Ų139.588%0.88277%0.765SS**THydrogen-bonded Turntrans-126.323.2179.5-118-0.4000115.6
211N47.2Very low57.7Low143 Ų143139.8 Ų139.877%0.76578%0.778SS**  trans-128.568.3171.2-146.319.2000112.4
212T44Very low55.7Low140 Ų140141.8 Ų141.886%0.85979%0.791SS**  trans-13689.9149.9-56.10000108.5
213V51Low53.6Low117 Ų117145.9 Ų145.971%0.70980%0.803SS**  trans-59.1126150.9175.60000107.2
214I49.4Very low51.8Low233 Ų233148.5 Ų148.5100%1.19582%0.82SS**  -158.90102.6-32.9-176.7000109.2

Retrieved 214 of 214 residues in 2057.4 ms (Link to these results)

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