A0A3B3VX98_9TELE Loading...

Nucleoside diphosphate kinase

Major role in the synthesis of nucleoside triphosphates other than ATP.

AlphaFold DB , UniProt , Accession A0A3B3VX98, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 182 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
1M41.1Very low51.8Low238 Ų238142.9 Ų142.9100%1.17279%0.787SS**  0107.10-97.8-169.4-101.800108.4
2L32.8Very low55.5Low176 Ų176133.3 Ų133.392%0.92173%0.733SS**  trans-139.1103.8163.1-100150.8000104.7A4L2-A4 PolarHBondContact O-N 3.08Å
3Q36.7Very low58.7Low183 Ų183126.8 Ų126.886%0.85569%0.694SS**  trans-65.5108.2174.3-73.2172.1-2300107.6T5Q3-T5 VanDerWaalsContact C-N 3.33Å; Q3-T5 PolarHBondContact O-N 3.18Å; Q3-T5 VanDerWaalsContact O-N 3.08Å
4A38.1Very low61.6Low100 Ų100118.4 Ų118.483%0.82665%0.648SS**  trans-74.995.3164.200000107.4L2 G6L2-A4 PolarHBondContact O-N 3.08Å; A4-G6 PolarHBondContact O-N 3.36Å
5T40.1Very low64.1Low128 Ų128110.5 Ų110.579%0.78561%0.605SS**  trans-38.8125.316444.10000110.9Q3 R7Q3-T5 VanDerWaalsContact C-N 3.33Å; Q3-T5 PolarHBondContact O-N 3.18Å; Q3-T5 VanDerWaalsContact O-N 3.08Å; T5-R7 PolarHBondContact O-N 3.14Å
6G43.2Very low66.2Low75 Ų75103.6 Ų103.677%0.77357%0.567SS**  trans-52.1121.8-174.200000112.7A4 L8A4-G6 PolarHBondContact O-N 3.36Å; G6-L8 PolarHBondContact O-N 3.24Å; G6-L8 VanDerWaalsContact O-N 3.14Å
7R46Very low68.1Low234 Ų23497.5 Ų97.588%0.88353%0.534SS*.  trans-66.4110.9164.1-81.5-178.7180172.40.2107.1T5 T9T5-R7 PolarHBondContact O-N 3.14Å; R7-T9 PolarHBondContact O-N 3.34Å
8L47Very low69.8Low173 Ų17392.2 Ų92.291%0.90650%0.504SS*.  trans-65.884.5158.2-67.9168.3000106.8G6 K10G6-L8 PolarHBondContact O-N 3.24Å; G6-L8 VanDerWaalsContact O-N 3.14Å; L8-K10 PolarHBondContact O-N 3.01Å
9T67.6Low71.4Confident73 Ų7387.4 Ų87.445%0.44848%0.478SS..PPolyproline II helixtrans-57.6128.5166.946.20000107.4R7 R163R7-T9 PolarHBondContact O-N 3.34Å; T9-R163 WeakPolarHBondContact O-CD 3.4Å; T9-R163 WeakPolarHBondContact OG1-CG 3.05Å
10K85.1Confident72.7Confident129 Ų12983.6 Ų83.656%0.56146%0.457SS*.PPolyproline II helixtrans-61.3157.4178.2-61.5-159.9-158.9137.10110.3L8 E90 R163L8-K10 PolarHBondContact O-N 3.01Å; K10-E90 HydrophobicContact CB-CG 3.98Å; K10-E90 HydrophobicContact CD-CG 4.34Å; K10-E90 WeakPolarHBondContact CD-OE1 3.3Å; K10-E90 WeakPolarHBondContact CE-OE1 3.5Å; K10-E90 IonicContact NZ-OE1 2.69Å; K10-E90 PolarHBondContact NZ-OE1 3.26Å; K10-R163 WeakPolarHBondContact O-CD 3.29Å
11A92.4Very high73.9Confident63 Ų6380 Ų8052%0.52144%0.437SS..PPolyproline II helixtrans-58.7139.9175.400000110.8E159A11-E159 WeakPolarHBondContact CA-OE1 3.44Å
12L95.8Very high76.6Confident27 Ų2769.5 Ų69.514%0.14139%0.386CS..PPolyproline II helixtrans-73.1138.4176.1-55.9177000109.8A88 W154 L155 E159 F162 R163L12-A88 HydrophobicContact CB-CB 4.38Å; L12-A88 HydrophobicContact CD1-CB 4.24Å; L12-W154 HydrophobicContact CD1-CH2 4.43Å; L12-L155 WeakPolarHBondContact O-CD2 3.38Å; L12-E159 HydrophobicContact CB-CG 3.8Å; L12-E159 HydrophobicContact CD1-CG 4.25Å; L12-E159 HydrophobicContact CG-CG 4.17Å; L12-E159 PolarHBondContact N-OE1 3.45Å; L12-F162 HydrophobicContact CD1-CB 3.81Å; L12-R163 HydrophobicContact CD1-CB 4.4Å; L12-R163 HydrophobicContact CG-CB 4.38Å
13Q97.6Very high79.7Confident50 Ų5061.2 Ų61.223%0.23434%0.343CS..EExtended strand (participates in β ladder)trans-99.1148.9167.9178.3177.372.500108.9A88 R89 D91 A92 V93Q13-A88 WeakPolarHBondContact O-CA 3.4Å; Q13-R89 PolarHBondContact N-O 3.38Å; Q13-R89 PolarHBondContact O-N 3.36Å; Q13-R89 VanDerWaalsContact O-O 3.11Å; Q13-D91 VanDerWaalsContact OE1-C 3.22Å; Q13-A92 HydrophobicContact CB-CB 4.15Å; Q13-A92 HydrophobicContact CG-CB 4.31Å; Q13-A92 WeakPolarHBondContact O-CB 3.47Å; Q13-A92 VanDerWaalsContact OE1-N 3.1Å; Q13-V93 HydrophobicContact CG-CG2 4.2Å
14L98.6Very high82.7Confident9 Ų954 Ų545%0.04731%0.31CS..EExtended strand (participates in β ladder)trans-99.7146.3172.3-67.7175.8000111.5V45 V86 L87 A88 I142 F149 V151 W154 L155L14-V45 HydrophobicContact CD2-CG2 4.12Å; L14-V86 HydrophobicContact CD1-CG1 4.46Å; L14-V86 HydrophobicContact CD2-CG1 3.83Å; L14-L87 CarbonylContact C-O 3.03Å; L14-L87 VanDerWaalsContact CA-O 3.31Å; L14-L87 WeakPolarHBondContact CA-O 3.25Å; L14-A88 HydrophobicContact CD2-CB 3.64Å; L14-I142 HydrophobicContact CB-CD1 3.93Å; L14-F149 HydrophobicContact CD1-CE1 3.99Å; L14-F149 HydrophobicContact CD1-CZ 4.18Å; L14-V151 HydrophobicContact CD1-CG1 3.99Å; L14-W154 HydrophobicContact CD1-CD2 4.28Å; L14-W154 HydrophobicContact CD1-CE3 3.63Å; L14-W154 HydrophobicContact CD1-CZ3 4.11Å; L14-W154 HydrophobicContact CD2-CE3 4Å; L14-W154 HydrophobicContact CD2-CH2 4.13Å; L14-W154 HydrophobicContact CD2-CZ3 3.7Å; L14-W154 HydrophobicContact CG-CE3 4.04Å; L14-W154 HydrophobicContact CG-CZ3 3.99Å; L14-L155 HydrophobicContact CD1-CD2 4.34Å; L14-L155 HydrophobicContact CD1-CG 4.3Å; L14-L155 HydrophobicContact CG-CD2 4.31Å
15T98.8Very high85.5Confident0 Ų052.6 Ų52.60%030%0.298CS..EExtended strand (participates in β ladder)trans-140.5150.3169.3-167.10000110.3F42 L87 A92 W96T15-F42 HydrophobicContact CG2-CE1 4.49Å; T15-L87 HydrophobicContact CG2-CB 3.97Å; T15-L87 PolarHBondContact N-O 3.06Å; T15-L87 PolarHBondContact O-N 2.85Å; T15-A92 HydrophobicContact CG2-CB 3.92Å; T15-W96 HydrophobicContact CG2-CB 3.96Å; T15-W96 HydrophobicContact CG2-CG 4.35Å
16L98.8Very high88.2Confident0 Ų051.3 Ų51.30%028%0.283CS..EExtended strand (participates in β ladder)trans-82.2134.3166-176.473000108.8V18 G131 S132 E141 I142 F145 F146L16-V18 HydrophobicContact CD1-CG2 4.35Å; L16-V18 HydrophobicContact CD2-CG2 3.7Å; L16-V18 HydrophobicContact CG-CG2 3.89Å; L16-G131 WeakPolarHBondContact O-CA 3.28Å; L16-S132 WeakPolarHBondContact CB-OG 3.29Å; L16-S132 PolarHBondContact N-OG 2.86Å; L16-S132 PolarHBondContact O-N 3.46Å; L16-E141 HydrophobicContact CB-CB 4.25Å; L16-E141 HydrophobicContact CD2-CB 3.65Å; L16-I142 HydrophobicContact CB-CG1 4.03Å; L16-I142 HydrophobicContact CD1-CG1 4.42Å; L16-F145 HydrophobicContact CD1-CB 4.06Å; L16-F145 HydrophobicContact CD1-CD2 4.2Å; L16-F145 HydrophobicContact CD1-CG 4.1Å; L16-F145 HydrophobicContact CD2-CD2 3.42Å; L16-F145 VanDerWaalsContact CD2-CD2 3.42Å; L16-F145 HydrophobicContact CD2-CE2 3.51Å; L16-F145 HydrophobicContact CD2-CG 4.13Å; L16-F145 HydrophobicContact CD2-CZ 4.28Å; L16-F145 HydrophobicContact CG-CD2 4.48Å; L16-F146 HydrophobicContact CD1-CD2 4.49Å; L16-F146 HydrophobicContact CD1-CE2 4Å
17A98.8Very high90.7Very high0 Ų052.7 Ų52.70%028%0.279CS..EExtended strand (participates in β ladder)trans-120131.7163.400000109.5A84 Y85 L87 W96A17-A84 CarbonylContact O-C 3.59Å; A17-A84 WeakPolarHBondContact O-CA 3.39Å; A17-Y85 PolarHBondContact N-O 3.39Å; A17-Y85 PolarHBondContact O-N 3.11Å; A17-L87 HydrophobicContact CB-CD1 3.55Å; A17-L87 HydrophobicContact CB-CG 4.07Å; A17-W96 HydrophobicContact CB-CD2 4.08Å; A17-W96 HydrophobicContact CB-CG 4.48Å; A17-W96 HydrophobicContact CB-CH2 4.34Å; A17-W96 HydrophobicContact CB-CZ2 3.57Å
18V98.6Very high93.2Very high1 Ų147.5 Ų47.51%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-124.1126.5174.6-175.10000108.9L16 M77 M82 R83 A84 T129 H130 F145L16-V18 HydrophobicContact CD1-CG2 4.35Å; L16-V18 HydrophobicContact CD2-CG2 3.7Å; L16-V18 HydrophobicContact CG-CG2 3.89Å; V18-M77 HydrophobicContact CG1-CE 4.4Å; V18-M82 HydrophobicContact CG1-CB 4.34Å; V18-M82 HydrophobicContact CG1-CG 4.34Å; V18-M82 HydrophobicContact CG1-SD 3.93Å; V18-R83 CarbonylContact C-O 3.11Å; V18-R83 WeakPolarHBondContact CA-O 3.49Å; V18-A84 HydrophobicContact CG2-CB 4.44Å; V18-T129 CarbonylContact O-C 3.6Å; V18-T129 WeakPolarHBondContact O-CA 3.21Å; V18-H130 HydrophobicContact CB-CB 4.14Å; V18-H130 PolarHBondContact N-O 2.88Å; V18-H130 PolarHBondContact O-N 3.09Å; V18-F145 HydrophobicContact CG1-CE1 4.31Å; V18-F145 HydrophobicContact CG1-CZ 4.36Å; V18-F145 HydrophobicContact CG2-CE1 3.81Å; V18-F145 HydrophobicContact CG2-CE2 4.09Å; V18-F145 HydrophobicContact CG2-CZ 3.54Å
19I98.6Very high95.7Very high1 Ų141 Ų411%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-93.5114.9171.3-46.7-51000106.9A23 I24 I33 M82 R83 Y85 W96 T129I19-A23 HydrophobicContact CG2-CB 3.52Å; I19-I24 HydrophobicContact CB-CD1 3.92Å; I19-I24 HydrophobicContact CB-CG1 4.25Å; I19-I24 HydrophobicContact CG2-CD1 3.62Å; I19-I24 HydrophobicContact CG2-CG1 3.97Å; I19-I33 HydrophobicContact CD1-CB 4.36Å; I19-I33 HydrophobicContact CD1-CG2 3.42Å; I19-I33 VanDerWaalsContact CD1-CG2 3.42Å; I19-I33 HydrophobicContact CG1-CG2 4.4Å; I19-I33 HydrophobicContact CG2-CD1 3.97Å; I19-M82 WeakPolarHBondContact O-CA 3.4Å; I19-M82 VanDerWaalsContact O-CB 3.28Å; I19-M82 WeakPolarHBondContact O-CB 3.48Å; I19-R83 HydrophobicContact CB-CB 4.25Å; I19-R83 HydrophobicContact CG1-CB 4.46Å; I19-R83 PolarHBondContact N-O 3.37Å; I19-R83 PolarHBondContact O-N 2.76Å; I19-Y85 HydrophobicContact CD1-CE2 4.39Å; I19-Y85 HydrophobicContact CG1-CD2 4.27Å; I19-Y85 HydrophobicContact CG1-CE2 3.73Å; I19-W96 HydrophobicContact CD1-CH2 4.35Å; I19-W96 HydrophobicContact CD1-CZ2 4.41Å; I19-T129 HydrophobicContact CD1-CG2 3.67Å
20K98.4Very high97.1Very high12 Ų1238.3 Ų38.35%0.05222%0.223CC..  trans-77.9167.2-167.2-64.8-175.2178.6177.80112D22 A23 I24 F76 M77 N127 T128 T129K20-D22 VanDerWaalsContact C-N 3.27Å; K20-D22 WeakPolarHBondContact CB-OD1 3.4Å; K20-D22 PolarHBondContact O-N 3.29Å; K20-A23 PolarHBondContact O-N 3.43Å; K20-I24 PolarHBondContact O-N 2.85Å; K20-F76 HydrophobicContact CB-CE1 4.2Å; K20-F76 HydrophobicContact CB-CZ 4.03Å; K20-F76 HydrophobicContact CD-CE1 3.87Å; K20-F76 HydrophobicContact CD-CZ 4.47Å; K20-M77 HydrophobicContact CB-SD 4.31Å; K20-M77 HydrophobicContact CD-SD 3.89Å; K20-M77 HydrophobicContact CG-CE 4.34Å; K20-M77 HydrophobicContact CG-SD 3.84Å; K20-N127 PolarHBondContact NZ-OD1 3.39Å; K20-T128 WeakPolarHBondContact CB-O 3.22Å; K20-T128 PolarHBondContact N-O 3.45Å; K20-T129 WeakPolarHBondContact CE-O 3.4Å
21P98.5Very high97.7Very high7 Ų736.7 Ų36.75%0.04522%0.217CC..Hα-helixtrans-58.6-31.6-175-2937.4000115.9A23 A25 F76 P81 M82P21-A23 VanDerWaalsContact C-N 3.31Å; P21-A23 PolarHBondContact O-N 3.23Å; P21-A25 VanDerWaalsContact O-CB 3.29Å; P21-A25 WeakPolarHBondContact O-CB 3.08Å; P21-A25 PolarHBondContact O-N 3.08Å; P21-F76 HydrophobicContact CB-CE2 4.18Å; P21-F76 HydrophobicContact CG-CE2 4.5Å; P21-P81 VanDerWaalsContact CA-O 3.27Å; P21-P81 WeakPolarHBondContact CA-O 3.14Å; P21-M82 HydrophobicContact CG-CB 4.46Å
22D97.8Very high98Very high19 Ų1935 Ų3510%0.10220%0.204CC..Hα-helixtrans-61.1-40.1174.659.4-29.2000112.2K20 H26 F76 R126 T128K20-D22 VanDerWaalsContact C-N 3.27Å; K20-D22 WeakPolarHBondContact CB-OD1 3.4Å; K20-D22 PolarHBondContact O-N 3.29Å; D22-H26 PolarHBondContact O-CD2 2.79Å; D22-F76 HydrophobicContact CB-CE2 4.03Å; D22-F76 HydrophobicContact CB-CZ 3.9Å; D22-F76 WeakPolarHBondContact OD1-CZ 3.35Å; D22-R126 HydrophobicContact CB-CB 4.4Å; D22-T128 WeakPolarHBondContact OD2-CA 3.42Å; D22-T128 PolarHBondContact OD2-N 3.49Å
23A98Very high98.2Very high2 Ų233.8 Ų33.82%0.01720%0.197CC..Hα-helixtrans-78.2-42.2179.800000112.5I19 K20 P21 A25 H26 I29 I33 T128I19-A23 HydrophobicContact CG2-CB 3.52Å; K20-A23 PolarHBondContact O-N 3.43Å; P21-A23 VanDerWaalsContact C-N 3.31Å; P21-A23 PolarHBondContact O-N 3.23Å; A23-A25 VanDerWaalsContact C-N 3.3Å; A23-A25 PolarHBondContact O-N 2.69Å; A23-H26 CarbonylContact O-C 3.54Å; A23-H26 PolarHBondContact O-N 2.88Å; A23-H26 VanDerWaalsContact O-N 3.11Å; A23-H26 VanDerWaalsContact O-O 3.06Å; A23-I29 HydrophobicContact CB-CG2 4.05Å; A23-I33 HydrophobicContact CB-CD1 4Å; A23-T128 HydrophobicContact CB-CG2 3.49Å; A23-T128 VanDerWaalsContact CB-CG2 3.49Å
24I98.1Very high98.2Very high32 Ų3231.6 Ų31.616%0.16419%0.187CC..Hα-helixtrans-67-31179.6-66.6-55.7000112.4I19 K20 H26 A30 P81 R83I19-I24 HydrophobicContact CB-CD1 3.92Å; I19-I24 HydrophobicContact CB-CG1 4.25Å; I19-I24 HydrophobicContact CG2-CD1 3.62Å; I19-I24 HydrophobicContact CG2-CG1 3.97Å; K20-I24 PolarHBondContact O-N 2.85Å; I24-H26 PolarHBondContact O-N 2.79Å; I24-H26 VanDerWaalsContact O-N 3.08Å; I24-A30 HydrophobicContact CD1-CB 3.97Å; I24-P81 HydrophobicContact CG2-CB 4.06Å; I24-P81 HydrophobicContact CG2-CG 3.89Å; I24-R83 HydrophobicContact CD1-CB 3.69Å; I24-R83 HydrophobicContact CG1-CB 4.3Å
25A97.3Very high98.2Very high69 Ų6934.8 Ų34.857%0.5720%0.202SC*.THydrogen-bonded Turntrans-62-14.4173.500000113.7P21 A23P21-A25 VanDerWaalsContact O-CB 3.29Å; P21-A25 WeakPolarHBondContact O-CB 3.08Å; P21-A25 PolarHBondContact O-N 3.08Å; A23-A25 VanDerWaalsContact C-N 3.3Å; A23-A25 PolarHBondContact O-N 2.69Å
26H97.9Very high98.2Very high102 Ų10235.9 Ų35.947%0.47221%0.208SC..SBendtrans-119.998.3179.7-64.4-57.3000110.8D22 A23 I24 V28 I29 A30D22-H26 PolarHBondContact O-CD2 2.79Å; A23-H26 CarbonylContact O-C 3.54Å; A23-H26 PolarHBondContact O-N 2.88Å; A23-H26 VanDerWaalsContact O-N 3.11Å; A23-H26 VanDerWaalsContact O-O 3.06Å; I24-H26 PolarHBondContact O-N 2.79Å; I24-H26 VanDerWaalsContact O-N 3.08Å; H26-V28 VanDerWaalsContact C-N 3.26Å; H26-V28 PolarHBondContact O-N 3.31Å; H26-V28 VanDerWaalsContact O-N 3.1Å; H26-I29 HydrophobicContact CB-CB 4.01Å; H26-I29 HydrophobicContact CB-CD1 3.78Å; H26-I29 HydrophobicContact CB-CG1 3.9Å; H26-I29 WeakPolarHBondContact O-CA 3.45Å; H26-I29 WeakPolarHBondContact O-CB 3.44Å; H26-I29 PolarHBondContact O-N 2.91Å; H26-A30 PolarHBondContact O-N 2.99Å
27P95.9Very high98.2Very high104 Ų10435.9 Ų35.968%0.67521%0.208SC*.Hα-helixtrans-53.5-38.1-173.7-3035.7000114.6I29 A30 E31P27-I29 VanDerWaalsContact C-N 3.33Å; P27-I29 PolarHBondContact O-N 2.69Å; P27-A30 PolarHBondContact O-N 2.68Å; P27-E31 WeakPolarHBondContact O-CB 3.39Å; P27-E31 PolarHBondContact O-N 3.23Å
28V98.2Very high98.2Very high124 Ų12437.6 Ų37.675%0.75222%0.217SC*.Hα-helixtrans-65.1-36.4177.61800000112H26 A32H26-V28 VanDerWaalsContact C-N 3.26Å; H26-V28 PolarHBondContact O-N 3.31Å; H26-V28 VanDerWaalsContact O-N 3.1Å; V28-A32 VanDerWaalsContact O-CB 3.28Å; V28-A32 WeakPolarHBondContact O-CB 3.37Å; V28-A32 PolarHBondContact O-N 3.27Å
29I98.4Very high98.1Very high38 Ų3842.5 Ų42.520%0.19524%0.244CC..Hα-helixtrans-73-45.4177.2-62.7-179000109.7A23 H26 P27 E31 A32 I33 F120 T128A23-I29 HydrophobicContact CB-CG2 4.05Å; H26-I29 HydrophobicContact CB-CB 4.01Å; H26-I29 HydrophobicContact CB-CD1 3.78Å; H26-I29 HydrophobicContact CB-CG1 3.9Å; H26-I29 WeakPolarHBondContact O-CA 3.45Å; H26-I29 WeakPolarHBondContact O-CB 3.44Å; H26-I29 PolarHBondContact O-N 2.91Å; P27-I29 VanDerWaalsContact C-N 3.33Å; P27-I29 PolarHBondContact O-N 2.69Å; I29-E31 VanDerWaalsContact C-N 3.31Å; I29-E31 PolarHBondContact O-N 3.49Å; I29-A32 PolarHBondContact O-N 2.74Å; I29-I33 HydrophobicContact CG2-CD1 3.8Å; I29-I33 HydrophobicContact CG2-CG1 4.45Å; I29-I33 VanDerWaalsContact O-CG1 3.3Å; I29-I33 WeakPolarHBondContact O-CG1 3.28Å; I29-I33 PolarHBondContact O-N 2.8Å; I29-F120 HydrophobicContact CD1-CD1 4.22Å; I29-F120 HydrophobicContact CG1-CD1 4.02Å; I29-F120 HydrophobicContact CG1-CE1 4.42Å; I29-F120 HydrophobicContact CG2-CB 3.95Å; I29-F120 HydrophobicContact CG2-CD1 4.01Å; I29-F120 HydrophobicContact CG2-CD2 4.29Å; I29-F120 HydrophobicContact CG2-CG 3.83Å; I29-T128 HydrophobicContact CG2-CG2 4.34Å
30A98.1Very high98.1Very high15 Ų1544.5 Ų44.512%0.12426%0.255CS..Hα-helixtrans-56.1-46.9176.600000111.4I24 H26 P27 I33 H34I24-A30 HydrophobicContact CD1-CB 3.97Å; H26-A30 PolarHBondContact O-N 2.99Å; P27-A30 PolarHBondContact O-N 2.68Å; A30-I33 PolarHBondContact O-N 3.26Å; A30-H34 WeakPolarHBondContact O-CB 3.47Å; A30-H34 PolarHBondContact O-N 3.16Å
31E98.1Very high98Very high95 Ų9550.1 Ų50.144%0.44429%0.285SS..Hα-helixtrans-64.7-43.7177-17157.1-143.100112P27 I29 I33 H34 Q35P27-E31 WeakPolarHBondContact O-CB 3.39Å; P27-E31 PolarHBondContact O-N 3.23Å; I29-E31 VanDerWaalsContact C-N 3.31Å; I29-E31 PolarHBondContact O-N 3.49Å; E31-I33 VanDerWaalsContact C-N 3.27Å; E31-I33 PolarHBondContact O-N 3.42Å; E31-H34 WeakPolarHBondContact O-CB 3.47Å; E31-H34 PolarHBondContact O-N 3.33Å; E31-H34 VanDerWaalsContact O-N 3.16Å; E31-H34 IonicContact OE1-CD2 3.44Å; E31-Q35 WeakPolarHBondContact O-CB 3.49Å; E31-Q35 PolarHBondContact O-N 2.77Å
32A98.6Very high97.9Very high29 Ų2949.9 Ų49.924%0.2428%0.283CS..Hα-helixtrans-60.6-36.7178.100000112.6V28 I29 T36 F120V28-A32 VanDerWaalsContact O-CB 3.28Å; V28-A32 WeakPolarHBondContact O-CB 3.37Å; V28-A32 PolarHBondContact O-N 3.27Å; I29-A32 PolarHBondContact O-N 2.74Å; A32-T36 WeakPolarHBondContact O-CB 3.37Å; A32-T36 PolarHBondContact O-N 3.14Å; A32-T36 PolarHBondContact O-OG1 2.83Å; A32-F120 HydrophobicContact CB-CE2 4.43Å; A32-F120 HydrophobicContact CB-CZ 3.93Å
33I98.7Very high97.9Very high0 Ų049.7 Ų49.70%028%0.283CS..Hα-helixtrans-73.5-40.4176.2-59.8160.2000110.8I19 A23 I29 A30 E31 Q35 T36 I37 W96 I116 F120 T128 T129I19-I33 HydrophobicContact CD1-CB 4.36Å; I19-I33 HydrophobicContact CD1-CG2 3.42Å; I19-I33 VanDerWaalsContact CD1-CG2 3.42Å; I19-I33 HydrophobicContact CG1-CG2 4.4Å; I19-I33 HydrophobicContact CG2-CD1 3.97Å; A23-I33 HydrophobicContact CB-CD1 4Å; I29-I33 HydrophobicContact CG2-CD1 3.8Å; I29-I33 HydrophobicContact CG2-CG1 4.45Å; I29-I33 VanDerWaalsContact O-CG1 3.3Å; I29-I33 WeakPolarHBondContact O-CG1 3.28Å; I29-I33 PolarHBondContact O-N 2.8Å; A30-I33 PolarHBondContact O-N 3.26Å; E31-I33 VanDerWaalsContact C-N 3.27Å; E31-I33 PolarHBondContact O-N 3.42Å; I33-Q35 VanDerWaalsContact C-N 3.35Å; I33-Q35 PolarHBondContact O-N 3Å; I33-T36 WeakPolarHBondContact O-CB 3.49Å; I33-T36 PolarHBondContact O-N 3.3Å; I33-T36 VanDerWaalsContact O-N 3.16Å; I33-I37 WeakPolarHBondContact O-CG1 3.37Å; I33-I37 PolarHBondContact O-N 3.19Å; I33-W96 HydrophobicContact CG2-CH2 4.14Å; I33-I116 HydrophobicContact CD1-CG2 4.22Å; I33-I116 HydrophobicContact CG1-CG2 4.07Å; I33-I116 HydrophobicContact CG2-CD1 4.09Å; I33-F120 HydrophobicContact CG1-CD2 4.27Å; I33-F120 HydrophobicContact CG1-CE2 4.34Å; I33-T128 HydrophobicContact CD1-CG2 3.32Å; I33-T128 HydrophobicContact CG1-CG2 4.46Å; I33-T129 HydrophobicContact CD1-CG2 4.34Å; I33-T129 HydrophobicContact CG2-CG2 4.37Å
34H98.5Very high98Very high4 Ų449.6 Ų49.62%0.01928%0.282CS..Hα-helixtrans-58.8-47174.4-178.370.3000111.5A30 E31 T36 I37 L38 Y85 Y169A30-H34 WeakPolarHBondContact O-CB 3.47Å; A30-H34 PolarHBondContact O-N 3.16Å; E31-H34 WeakPolarHBondContact O-CB 3.47Å; E31-H34 PolarHBondContact O-N 3.33Å; E31-H34 VanDerWaalsContact O-N 3.16Å; E31-H34 IonicContact OE1-CD2 3.44Å; H34-T36 VanDerWaalsContact C-N 3.3Å; H34-T36 PolarHBondContact O-N 3.5Å; H34-I37 WeakPolarHBondContact O-CB 3.35Å; H34-I37 PolarHBondContact O-N 3.26Å; H34-I37 VanDerWaalsContact O-N 3.09Å; H34-L38 PolarHBondContact O-N 3.03Å; H34-Y85 AromaticContact ND1-CE1 3.97Å; H34-Y85 AromaticContact ND1-CZ 3.78Å; H34-Y85 PolarHBondContact ND1-OH 2.97Å; H34-Y169 PolarHBondContact CE1-OH 3.29Å; H34-Y169 AromaticContact NE2-CZ 3.79Å; H34-Y169 PolarHBondContact NE2-OH 3.42Å
35Q98.4Very high98Very high77 Ų7748.1 Ų48.136%0.3627%0.274SS..Hα-helixtrans-61.7-38.9174.5-168.560.951.900111.8E31 I33 I37 L38 D39E31-Q35 WeakPolarHBondContact O-CB 3.49Å; E31-Q35 PolarHBondContact O-N 2.77Å; I33-Q35 VanDerWaalsContact C-N 3.35Å; I33-Q35 PolarHBondContact O-N 3Å; Q35-I37 VanDerWaalsContact C-N 3.26Å; Q35-I37 PolarHBondContact O-N 3.16Å; Q35-L38 PolarHBondContact O-N 3.39Å; Q35-L38 VanDerWaalsContact O-N 3.14Å; Q35-D39 PolarHBondContact NE2-OD1 2.85Å; Q35-D39 WeakPolarHBondContact O-CB 3.4Å; Q35-D39 VanDerWaalsContact O-CG 3.23Å; Q35-D39 PolarHBondContact O-N 2.83Å
36T98.6Very high98Very high22 Ų2248.4 Ų48.414%0.13526%0.261CS..Hα-helixtrans-58.7-37.4174.4-59.90000111.9A32 I33 H34 N40 L99 I116A32-T36 WeakPolarHBondContact O-CB 3.37Å; A32-T36 PolarHBondContact O-N 3.14Å; A32-T36 PolarHBondContact O-OG1 2.83Å; I33-T36 WeakPolarHBondContact O-CB 3.49Å; I33-T36 PolarHBondContact O-N 3.3Å; I33-T36 VanDerWaalsContact O-N 3.16Å; H34-T36 VanDerWaalsContact C-N 3.3Å; H34-T36 PolarHBondContact O-N 3.5Å; T36-N40 WeakPolarHBondContact O-CB 3.44Å; T36-N40 PolarHBondContact O-N 3.45Å; T36-N40 PolarHBondContact O-ND2 3.16Å; T36-L99 HydrophobicContact CG2-CD1 4.4Å; T36-I116 HydrophobicContact CG2-CD1 4.26Å; T36-I116 HydrophobicContact CG2-CG1 4.4Å
37I98.7Very high98.1Very high0 Ų045.1 Ų45.10%025%0.249CC..Hα-helixtrans-63.9-47.7175.7-68.3167.1000110.2I33 H34 Q35 N40 F42 I44 Y85 L87 W96I33-I37 WeakPolarHBondContact O-CG1 3.37Å; I33-I37 PolarHBondContact O-N 3.19Å; H34-I37 WeakPolarHBondContact O-CB 3.35Å; H34-I37 PolarHBondContact O-N 3.26Å; H34-I37 VanDerWaalsContact O-N 3.09Å; Q35-I37 VanDerWaalsContact C-N 3.26Å; Q35-I37 PolarHBondContact O-N 3.16Å; I37-N40 PolarHBondContact O-N 2.86Å; I37-F42 HydrophobicContact CG2-CB 3.62Å; I37-F42 HydrophobicContact CG2-CD2 4.41Å; I37-F42 HydrophobicContact CG2-CG 4.29Å; I37-F42 PolarHBondContact O-N 3.09Å; I37-I44 HydrophobicContact CG2-CD1 3.98Å; I37-I44 HydrophobicContact CG2-CG1 3.87Å; I37-Y85 HydrophobicContact CD1-CD2 3.96Å; I37-Y85 HydrophobicContact CD1-CE2 3.89Å; I37-L87 HydrophobicContact CD1-CD1 4.26Å; I37-L87 HydrophobicContact CG1-CD1 4.28Å; I37-L87 HydrophobicContact CG2-CD1 4.09Å; I37-L87 HydrophobicContact CG2-CD2 3.65Å; I37-W96 HydrophobicContact CD1-CH2 4.28Å; I37-W96 HydrophobicContact CD1-CZ3 4.35Å; I37-W96 HydrophobicContact CG1-CH2 4.19Å; I37-W96 HydrophobicContact CG1-CZ3 3.79Å
38L98Very high98.1Very high36 Ų3643.5 Ų43.519%0.18823%0.231CC..Hα-helixtrans-64.4-47.6179.7-62.7178.9000112H34 Q35 N40 N41 I44 Y169H34-L38 PolarHBondContact O-N 3.03Å; Q35-L38 PolarHBondContact O-N 3.39Å; Q35-L38 VanDerWaalsContact O-N 3.14Å; L38-N40 PolarHBondContact O-N 3.44Å; L38-N40 VanDerWaalsContact O-N 3.16Å; L38-N41 PolarHBondContact O-N 2.89Å; L38-I44 HydrophobicContact CD2-CD1 3.83Å; L38-I44 HydrophobicContact CD2-CG1 4.43Å; L38-Y169 HydrophobicContact CD1-CE1 4.25Å; L38-Y169 HydrophobicContact CD2-CD2 4.21Å; L38-Y169 HydrophobicContact CD2-CE2 4.04Å
39D98.1Very high98.1Very high104 Ų10442 Ų4256%0.55622%0.219SC*.Hα-helixtrans-62.2-24.7-178.9-69.4-12.5000112.8Q35 N41Q35-D39 PolarHBondContact NE2-OD1 2.85Å; Q35-D39 WeakPolarHBondContact O-CB 3.4Å; Q35-D39 VanDerWaalsContact O-CG 3.23Å; Q35-D39 PolarHBondContact O-N 2.83Å; D39-N41 VanDerWaalsContact C-N 3.32Å
40N97.6Very high98Very high44 Ų4441.2 Ų41.224%0.23522%0.215CC..THydrogen-bonded Turntrans-95.116.7177.2-73.6-85.5000113.5T36 I37 L38 F42 R89 L99T36-N40 WeakPolarHBondContact O-CB 3.44Å; T36-N40 PolarHBondContact O-N 3.45Å; T36-N40 PolarHBondContact O-ND2 3.16Å; I37-N40 PolarHBondContact O-N 2.86Å; L38-N40 PolarHBondContact O-N 3.44Å; L38-N40 VanDerWaalsContact O-N 3.16Å; N40-F42 VanDerWaalsContact C-N 3.26Å; N40-F42 HydrophobicContact CB-CD2 4.17Å; N40-F42 HydrophobicContact CB-CE2 4.3Å; N40-F42 PolarHBondContact O-N 3.06Å; N40-R89 PolarHBondContact O-NE 3.42Å; N40-L99 HydrophobicContact CB-CD1 3.69Å
41N95.8Very high98Very high130 Ų13045.3 Ų45.370%0.69524%0.238SC*.THydrogen-bonded Turntrans58.133.8174.4-54.7-63.7000113.6L38 D39L38-N41 PolarHBondContact O-N 2.89Å; D39-N41 VanDerWaalsContact C-N 3.32Å
42F98Very high97.9Very high2 Ų241.9 Ų41.91%0.00922%0.221CC..  trans-75.7132.2166.4-78.8-81.2000110.2T15 I37 N40 I44 L87 R89 A92 H95 W96 L99T15-F42 HydrophobicContact CG2-CE1 4.49Å; I37-F42 HydrophobicContact CG2-CB 3.62Å; I37-F42 HydrophobicContact CG2-CD2 4.41Å; I37-F42 HydrophobicContact CG2-CG 4.29Å; I37-F42 PolarHBondContact O-N 3.09Å; N40-F42 VanDerWaalsContact C-N 3.26Å; N40-F42 HydrophobicContact CB-CD2 4.17Å; N40-F42 HydrophobicContact CB-CE2 4.3Å; N40-F42 PolarHBondContact O-N 3.06Å; F42-I44 PolarHBondContact O-N 3.24Å; F42-L87 HydrophobicContact CB-CB 4.49Å; F42-L87 HydrophobicContact CB-CD2 4.38Å; F42-L87 HydrophobicContact CD1-CB 3.71Å; F42-L87 HydrophobicContact CD1-CD1 4.07Å; F42-L87 HydrophobicContact CD1-CG 4.45Å; F42-L87 HydrophobicContact CE1-CB 4.27Å; F42-L87 HydrophobicContact CE1-CD1 4.39Å; F42-L87 HydrophobicContact CG-CB 4.35Å; F42-L87 HydrophobicContact CG-CD1 4.16Å; F42-R89 HydrophobicContact CD1-CB 3.65Å; F42-R89 HydrophobicContact CD1-CG 4.39Å; F42-R89 HydrophobicContact CE1-CB 3.75Å; F42-R89 HydrophobicContact CE1-CG 4.44Å; F42-A92 HydrophobicContact CE1-CB 3.99Å; F42-H95 AromaticContact CE2-CD2 3.56Å; F42-H95 HydrophobicContact CZ-CB 3.99Å; F42-H95 AromaticContact CZ-CD2 3.7Å; F42-W96 HydrophobicContact CE1-CB 4.41Å; F42-W96 HydrophobicContact CE2-CE3 4.43Å; F42-W96 HydrophobicContact CZ-CB 3.91Å; F42-L99 HydrophobicContact CD2-CD1 4.48Å; F42-L99 HydrophobicContact CE2-CD1 3.71Å
43V97.9Very high97.8Very high15 Ų1548 Ų489%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-80.3114.4165.7174.50000107.7V45 L87 A88 F162 I167 H176V43-V45 HydrophobicContact CG1-CG2 4.2Å; V43-V45 PolarHBondContact O-N 2.81Å; V43-L87 CarbonylContact O-C 3.51Å; V43-L87 WeakPolarHBondContact O-CA 3.22Å; V43-A88 HydrophobicContact CB-CB 3.96Å; V43-A88 WeakPolarHBondContact CB-O 3.34Å; V43-A88 HydrophobicContact CG1-CB 4.31Å; V43-A88 PolarHBondContact N-O 3.01Å; V43-A88 PolarHBondContact O-N 2.84Å; V43-F162 HydrophobicContact CG1-CD1 3.35Å; V43-F162 HydrophobicContact CG1-CE1 3.78Å; V43-F162 HydrophobicContact CG1-CG 4.24Å; V43-I167 HydrophobicContact CG1-CD1 4.31Å; V43-I167 HydrophobicContact CG2-CD1 3.55Å; V43-H176 HydrophobicContact CG1-CB 3.76Å
44I98.6Very high97.7Very high0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-79.5108.1173.3-51.6-179.7000108.9I37 L38 F42 C47 Y85 L87 Y169 Q174 I175 H176I37-I44 HydrophobicContact CG2-CD1 3.98Å; I37-I44 HydrophobicContact CG2-CG1 3.87Å; L38-I44 HydrophobicContact CD2-CD1 3.83Å; L38-I44 HydrophobicContact CD2-CG1 4.43Å; F42-I44 PolarHBondContact O-N 3.24Å; I44-C47 HydrophobicContact CG2-CB 4.36Å; I44-Y85 HydrophobicContact CD1-CD1 4.48Å; I44-Y85 HydrophobicContact CD1-CE1 4.32Å; I44-Y85 HydrophobicContact CG2-CD1 3.65Å; I44-Y85 HydrophobicContact CG2-CE1 4.26Å; I44-L87 HydrophobicContact CB-CD2 4.35Å; I44-L87 HydrophobicContact CG1-CD2 3.86Å; I44-L87 HydrophobicContact CG2-CD2 4.36Å; I44-Y169 HydrophobicContact CD1-CE2 4.19Å; I44-Q174 WeakPolarHBondContact CG2-O 3.38Å; I44-I175 HydrophobicContact CG2-CG2 4.2Å; I44-I175 CarbonylContact O-C 3.57Å; I44-I175 WeakPolarHBondContact O-CA 3.26Å; I44-H176 PolarHBondContact N-ND1 2.84Å; I44-H176 PolarHBondContact O-N 3.13Å
45V98.3Very high97.7Very high0 Ų058.1 Ų58.10%029%0.286CS..EExtended strand (participates in β ladder)trans-88.1-38.1-176.3-179.90000111.9L14 V43 V86 A88 F149 W154L14-V45 HydrophobicContact CD2-CG2 4.12Å; V43-V45 HydrophobicContact CG1-CG2 4.2Å; V43-V45 PolarHBondContact O-N 2.81Å; V45-V86 HydrophobicContact CB-CB 4.26Å; V45-V86 HydrophobicContact CB-CG1 4.05Å; V45-V86 HydrophobicContact CG1-CG1 4.47Å; V45-V86 PolarHBondContact N-O 3.1Å; V45-A88 HydrophobicContact CG2-CB 3.65Å; V45-F149 HydrophobicContact CG1-CE2 3.68Å; V45-F149 HydrophobicContact CG1-CZ 3.83Å; V45-W154 HydrophobicContact CB-CZ2 4.36Å; V45-W154 HydrophobicContact CG1-CD2 4.33Å; V45-W154 HydrophobicContact CG1-CZ2 3.91Å; V45-W154 VanDerWaalsContact CG1-NE1 3.3Å; V45-W154 HydrophobicContact CG2-CH2 3.93Å; V45-W154 HydrophobicContact CG2-CZ2 3.47Å; V45-W154 VanDerWaalsContact CG2-CZ2 3.47Å
46R98.4Very high97.6Very high76 Ų7656.1 Ų56.129%0.28728%0.277SS..EExtended strand (participates in β ladder)trans-141.2146.6173.7-65.6-66.6-176.4-87.40.6108.8Y85 V86 F146 F149R46-Y85 CarbonylContact O-C 3.57Å; R46-Y85 VanDerWaalsContact O-CA 3.28Å; R46-Y85 WeakPolarHBondContact O-CA 3.24Å; R46-V86 HydrophobicContact CB-CB 3.95Å; R46-V86 HydrophobicContact CB-CG2 3.88Å; R46-V86 HydrophobicContact CG-CB 4.43Å; R46-V86 HydrophobicContact CG-CG2 4.3Å; R46-V86 PolarHBondContact N-O 3.33Å; R46-V86 PolarHBondContact O-N 3.05Å; R46-F146 HydrophobicContact CB-CD1 3.94Å; R46-F146 HydrophobicContact CB-CE1 3.65Å; R46-F146 HydrophobicContact CB-CZ 4.16Å; R46-F146 HydrophobicContact CG-CD1 4.36Å; R46-F149 HydrophobicContact CG-CD2 3.84Å; R46-F149 HydrophobicContact CG-CE2 4.17Å; R46-F149 HydrophobicContact CG-CG 4.43Å
47C98.1Very high97.4Very high32 Ų3255 Ų5522%0.21627%0.271CS..EExtended strand (participates in β ladder)trans-135138.2171.7179.80000107.3I44 A84 Y85 I175I44-C47 HydrophobicContact CG2-CB 4.36Å; C47-A84 WeakPolarHBondContact CA-O 3.12Å; C47-Y85 HydrophobicContact CB-CD1 3.86Å; C47-Y85 HydrophobicContact CB-CE1 3.94Å; C47-Y85 WeakPolarHBondContact SG-CE1 3.2Å; C47-I175 HydrophobicContact CB-CG2 4.01Å
48K97.3Very high97.4Very high71 Ų7157.7 Ų57.731%0.30928%0.283SS..EExtended strand (participates in β ladder)trans-153144.7166.974.7179.4-161.9162.10112.2L50 R83 A84 F145 F146K48-L50 HydrophobicContact CG-CD2 4.29Å; K48-R83 WeakPolarHBondContact O-CA 3.45Å; K48-A84 HydrophobicContact CG-CB 4.38Å; K48-A84 PolarHBondContact N-O 3.12Å; K48-A84 PolarHBondContact O-N 2.69Å; K48-F145 WeakPolarHBondContact CE-O 3.15Å; K48-F145 PolarHBondContact NZ-O 3.06Å; K48-F146 HydrophobicContact CB-CE1 4.02Å; K48-F146 HydrophobicContact CD-CD1 3.88Å; K48-F146 HydrophobicContact CD-CE1 3.53Å; K48-F146 HydrophobicContact CD-CZ 4.07Å; K48-F146 HydrophobicContact CG-CD1 4.37Å; K48-F146 HydrophobicContact CG-CE1 3.52Å; K48-F146 HydrophobicContact CG-CZ 3.77Å
49D97.5Very high97.3Very high91 Ų9162.7 Ų62.749%0.48730%0.3SS..EExtended strand (participates in β ladder)trans-88.9143.3164.8-71.9-32.2000110.4M82 R83D49-M82 WeakPolarHBondContact CA-O 3.21Å; D49-R83 VanDerWaalsContact OD1-CB 3.29Å; D49-R83 WeakPolarHBondContact OD1-CB 3.39Å; D49-R83 WeakPolarHBondContact OD1-CG 3.41Å; D49-R83 IonicContact OD1-CZ 2.69Å; D49-R83 IonicContact OD1-NE 3.37Å; D49-R83 PolarHBondContact OD1-NE 2.89Å; D49-R83 IonicContact OD1-NH2 3.46Å; D49-R83 PolarHBondContact OD1-NH2 2.75Å; D49-R83 IonicContact OD2-CZ 3.91Å; D49-R83 IonicContact OD2-NE 2.75Å; D49-R83 IonicContact OD2-NH2 3.6Å; D49-R83 PolarHBondContact OD2-NH2 3.37Å
50L96.8Very high97.1Very high23 Ų2359.3 Ų59.312%0.1228%0.28CS..EExtended strand (participates in β ladder)trans-152156.6179.466.8164.5000111.9K48 W52 P81 M82 A84 F145K48-L50 HydrophobicContact CG-CD2 4.29Å; L50-W52 HydrophobicContact CD1-CG 4.46Å; L50-W52 HydrophobicContact CD1-CZ2 4.45Å; L50-P81 CarbonylContact O-C 3.54Å; L50-P81 WeakPolarHBondContact O-CA 3.47Å; L50-M82 HydrophobicContact CD1-CG 4.47Å; L50-M82 HydrophobicContact CD1-SD 4.43Å; L50-M82 HydrophobicContact CD2-CG 3.53Å; L50-M82 HydrophobicContact CD2-SD 4.32Å; L50-M82 HydrophobicContact CG-CG 3.64Å; L50-M82 HydrophobicContact CG-SD 4.2Å; L50-M82 PolarHBondContact N-O 2.85Å; L50-M82 PolarHBondContact O-N 3.28Å; L50-A84 HydrophobicContact CD2-CB 3.92Å; L50-F145 HydrophobicContact CD1-CD1 3.87Å; L50-F145 HydrophobicContact CD1-CE1 3.93Å; L50-F145 HydrophobicContact CD2-CD1 4.39Å; L50-F145 HydrophobicContact CD2-CE1 4.38Å
51V97.7Very high96.9Very high101 Ų10157.8 Ų57.861%0.61227%0.271SS*.EExtended strand (participates in β ladder)trans-123.2118.7170.9-178.10000107P81V51-P81 HydrophobicContact CG2-CB 4.08Å
52W96.4Very high96.8Very high22 Ų2254 Ų548%0.08326%0.257CS..  trans-87.8137.7177.7-85-9.3000111.7L50 D56 F60 Y61 M77 S78 M82 F144 F145L50-W52 HydrophobicContact CD1-CG 4.46Å; L50-W52 HydrophobicContact CD1-CZ2 4.45Å; W52-D56 HydrophobicContact CB-CB 3.95Å; W52-D56 HydrophobicContact CD2-CB 4.08Å; W52-D56 HydrophobicContact CG-CB 3.67Å; W52-F60 HydrophobicContact CH2-CB 3.66Å; W52-F60 AromaticContact CH2-CD1 3.81Å; W52-F60 HydrophobicContact CH2-CD1 3.81Å; W52-F60 AromaticContact CH2-CD2 3.87Å; W52-F60 HydrophobicContact CH2-CD2 3.87Å; W52-F60 HydrophobicContact CH2-CE1 4.44Å; W52-F60 HydrophobicContact CH2-CE2 4.5Å; W52-F60 AromaticContact CH2-CG 3.48Å; W52-F60 HydrophobicContact CH2-CG 3.48Å; W52-F60 VanDerWaalsContact CH2-CG 3.48Å; W52-F60 HydrophobicContact CZ3-CB 3.88Å; W52-F60 AromaticContact CZ3-CD1 3.96Å; W52-F60 HydrophobicContact CZ3-CD1 3.96Å; W52-F60 AromaticContact CZ3-CG 3.94Å; W52-F60 HydrophobicContact CZ3-CG 3.94Å; W52-Y61 HydrophobicContact CZ3-CE2 4.43Å; W52-M77 HydrophobicContact CZ3-CE 4.41Å; W52-S78 WeakPolarHBondContact O-CA 3.39Å; W52-S78 WeakPolarHBondContact O-CB 3.41Å; W52-M82 HydrophobicContact CB-CE 4.02Å; W52-M82 HydrophobicContact CD2-CE 3.91Å; W52-M82 HydrophobicContact CD2-SD 4.13Å; W52-M82 HydrophobicContact CE3-CE 3.8Å; W52-M82 HydrophobicContact CE3-SD 4.13Å; W52-M82 HydrophobicContact CG-CE 4.02Å; W52-F144 HydrophobicContact CH2-CD1 4.31Å; W52-F144 AromaticContact CH2-CE1 3.91Å; W52-F144 HydrophobicContact CH2-CE1 3.91Å; W52-F144 AromaticContact CZ2-CD1 3.87Å; W52-F144 HydrophobicContact CZ2-CD1 3.87Å; W52-F144 AromaticContact CZ2-CE1 3.5Å; W52-F144 HydrophobicContact CZ2-CE1 3.5Å; W52-F144 VanDerWaalsContact CZ2-CE1 3.5Å; W52-F145 HydrophobicContact CH2-CD2 4.29Å; W52-F145 AromaticContact CH2-CE1 3.73Å; W52-F145 HydrophobicContact CH2-CE1 3.73Å; W52-F145 AromaticContact CH2-CE2 3.34Å; W52-F145 HydrophobicContact CH2-CE2 3.34Å; W52-F145 AromaticContact CH2-CZ 3Å; W52-F145 HydrophobicContact CH2-CZ 3Å; W52-F145 AromaticContact CZ2-CD1 3.94Å; W52-F145 HydrophobicContact CZ2-CD1 3.94Å; W52-F145 HydrophobicContact CZ2-CD2 4.06Å; W52-F145 AromaticContact CZ2-CE1 3.35Å; W52-F145 HydrophobicContact CZ2-CE1 3.35Å; W52-F145 AromaticContact CZ2-CE2 3.5Å; W52-F145 HydrophobicContact CZ2-CE2 3.5Å; W52-F145 HydrophobicContact CZ2-CG 4.28Å; W52-F145 AromaticContact CZ2-CZ 3.12Å; W52-F145 HydrophobicContact CZ2-CZ 3.12Å; W52-F145 AromaticContact CZ3-CZ 3.93Å; W52-F145 HydrophobicContact CZ3-CZ 3.93Å
53K96.9Very high96.5Very high158 Ų15861.2 Ų61.269%0.68729%0.291SS*.  trans-73.6161160.1-63.7-178.9-178.9177.90108.5Q55 D56 S57K53-Q55 PolarHBondContact O-N 3.07Å; K53-D56 WeakPolarHBondContact CB-OD2 3.44Å; K53-D56 PolarHBondContact N-OD2 3.42Å; K53-D56 WeakPolarHBondContact O-CB 3.47Å; K53-D56 PolarHBondContact O-N 2.76Å; K53-S57 PolarHBondContact O-N 2.66Å
54R96.6Very high96.2Very high90 Ų9063.6 Ų63.634%0.3430%0.301SS..Hα-helixtrans-48.8-45.6175.4-173.6-179.1164.496.312.3112.6D56 S57 E58 V74 E75R54-D56 VanDerWaalsContact C-N 3.3Å; R54-D56 PolarHBondContact O-N 3.38Å; R54-S57 WeakPolarHBondContact O-CB 3.47Å; R54-S57 PolarHBondContact O-N 2.69Å; R54-S57 VanDerWaalsContact O-N 3.1Å; R54-E58 HydrophobicContact CG-CG 4.37Å; R54-E58 IonicContact CZ-OE1 3.28Å; R54-E58 VanDerWaalsContact CZ-OE1 3.28Å; R54-E58 IonicContact NE-OE1 2.82Å; R54-E58 PolarHBondContact NE-OE1 2.93Å; R54-E58 IonicContact NH2-OE1 3.83Å; R54-E58 PolarHBondContact NH2-OE1 3.02Å; R54-E58 WeakPolarHBondContact O-CG 3.43Å; R54-E58 PolarHBondContact O-N 3.1Å; R54-V74 HydrophobicContact CG-CG1 3.58Å; R54-E75 IonicContact NH1-OE1 2.87Å
55Q97.3Very high96Very high127 Ų12766.9 Ų66.959%0.59332%0.324SS*.Hα-helixtrans-59.7-36.5179.3-67.8174.5-2.900113.1K53 S57 E58 R59K53-Q55 PolarHBondContact O-N 3.07Å; Q55-S57 VanDerWaalsContact C-N 3.34Å; Q55-E58 PolarHBondContact O-N 3.34Å; Q55-R59 WeakPolarHBondContact O-CG 3.33Å; Q55-R59 PolarHBondContact O-N 2.99Å
56D96.3Very high95.8Very high34 Ų3476 Ų7618%0.18237%0.367CS..Hα-helixtrans-66.4-41.9177.3-52.3-48.5000110.3W52 K53 R54 R59 F60W52-D56 HydrophobicContact CB-CB 3.95Å; W52-D56 HydrophobicContact CD2-CB 4.08Å; W52-D56 HydrophobicContact CG-CB 3.67Å; K53-D56 WeakPolarHBondContact CB-OD2 3.44Å; K53-D56 PolarHBondContact N-OD2 3.42Å; K53-D56 WeakPolarHBondContact O-CB 3.47Å; K53-D56 PolarHBondContact O-N 2.76Å; R54-D56 VanDerWaalsContact C-N 3.3Å; R54-D56 PolarHBondContact O-N 3.38Å; D56-R59 PolarHBondContact O-N 3.33Å; D56-R59 IonicContact OD1-CZ 2.69Å; D56-R59 IonicContact OD1-NH1 2.84Å; D56-R59 IonicContact OD1-NH2 3.77Å; D56-R59 PolarHBondContact OD1-NH2 3.09Å; D56-F60 PolarHBondContact O-N 2.86Å
57S95.8Very high95.6Very high0 Ų079.7 Ų79.70%038%0.381CS..Hα-helixtrans-66.2-40.3176.5-60.30000112.1K53 R54 Q55 F60 Y61K53-S57 PolarHBondContact O-N 2.66Å; R54-S57 WeakPolarHBondContact O-CB 3.47Å; R54-S57 PolarHBondContact O-N 2.69Å; R54-S57 VanDerWaalsContact O-N 3.1Å; Q55-S57 VanDerWaalsContact C-N 3.34Å; S57-F60 PolarHBondContact O-N 3.17Å; S57-Y61 WeakPolarHBondContact O-CD2 3.5Å; S57-Y61 PolarHBondContact O-N 3.35Å
58E97.3Very high95.4Very high55 Ų5587.7 Ų87.726%0.25741%0.412SS..Hα-helixtrans-62.9-44176-71.4171.9157.800111.6R54 Q55 F60 A62 Y70 V74R54-E58 HydrophobicContact CG-CG 4.37Å; R54-E58 IonicContact CZ-OE1 3.28Å; R54-E58 VanDerWaalsContact CZ-OE1 3.28Å; R54-E58 IonicContact NE-OE1 2.82Å; R54-E58 PolarHBondContact NE-OE1 2.93Å; R54-E58 IonicContact NH2-OE1 3.83Å; R54-E58 PolarHBondContact NH2-OE1 3.02Å; R54-E58 WeakPolarHBondContact O-CG 3.43Å; R54-E58 PolarHBondContact O-N 3.1Å; Q55-E58 PolarHBondContact O-N 3.34Å; E58-F60 VanDerWaalsContact C-N 3.35Å; E58-F60 PolarHBondContact O-N 3.27Å; E58-A62 WeakPolarHBondContact O-CA 3.14Å; E58-A62 PolarHBondContact O-N 3.48Å; E58-A62 VanDerWaalsContact O-N 3.08Å; E58-Y70 WeakPolarHBondContact CA-OH 3.49Å; E58-Y70 WeakPolarHBondContact CB-OH 2.99Å; E58-Y70 PolarHBondContact O-OH 3.05Å; E58-V74 HydrophobicContact CG-CB 4.43Å; E58-V74 HydrophobicContact CG-CG1 3.59Å; E58-V74 HydrophobicContact CG-CG2 3.96Å
59R96.5Very high95.1Very high141 Ų14187.3 Ų87.353%0.53241%0.411SS..Hα-helixtrans-62.1-42.8175.6-71.2-169.7-47.6-108.8-0.1111.8Q55 D56 F144Q55-R59 WeakPolarHBondContact O-CG 3.33Å; Q55-R59 PolarHBondContact O-N 2.99Å; D56-R59 PolarHBondContact O-N 3.33Å; D56-R59 IonicContact OD1-CZ 2.69Å; D56-R59 IonicContact OD1-NH1 2.84Å; D56-R59 IonicContact OD1-NH2 3.77Å; D56-R59 PolarHBondContact OD1-NH2 3.09Å; R59-F144 HydrophobicContact CB-CE2 4.03Å; R59-F144 HydrophobicContact CB-CZ 4.03Å
60F94.3Very high94.9Very high33 Ų3384 Ų8415%0.14539%0.392CS..Hα-helixtrans-68.2-42.4-178.7-174.2-103.8000112.5W52 D56 S57 E58 H130 E141 F144 F145W52-F60 HydrophobicContact CH2-CB 3.66Å; W52-F60 AromaticContact CH2-CD1 3.81Å; W52-F60 HydrophobicContact CH2-CD1 3.81Å; W52-F60 AromaticContact CH2-CD2 3.87Å; W52-F60 HydrophobicContact CH2-CD2 3.87Å; W52-F60 HydrophobicContact CH2-CE1 4.44Å; W52-F60 HydrophobicContact CH2-CE2 4.5Å; W52-F60 AromaticContact CH2-CG 3.48Å; W52-F60 HydrophobicContact CH2-CG 3.48Å; W52-F60 VanDerWaalsContact CH2-CG 3.48Å; W52-F60 HydrophobicContact CZ3-CB 3.88Å; W52-F60 AromaticContact CZ3-CD1 3.96Å; W52-F60 HydrophobicContact CZ3-CD1 3.96Å; W52-F60 AromaticContact CZ3-CG 3.94Å; W52-F60 HydrophobicContact CZ3-CG 3.94Å; D56-F60 PolarHBondContact O-N 2.86Å; S57-F60 PolarHBondContact O-N 3.17Å; E58-F60 VanDerWaalsContact C-N 3.35Å; E58-F60 PolarHBondContact O-N 3.27Å; F60-H130 AromaticContact CZ-NE2 3.92Å; F60-E141 HydrophobicContact CE2-CB 4.12Å; F60-E141 HydrophobicContact CE2-CG 3.85Å; F60-E141 HydrophobicContact CZ-CB 4.38Å; F60-E141 HydrophobicContact CZ-CG 3.89Å; F60-F144 HydrophobicContact CB-CD1 4.43Å; F60-F144 HydrophobicContact CB-CE1 3.82Å; F60-F144 HydrophobicContact CB-CE2 4.45Å; F60-F144 HydrophobicContact CB-CZ 3.82Å; F60-F144 HydrophobicContact CD2-CB 4.43Å; F60-F144 AromaticContact CD2-CD1 3.61Å; F60-F144 HydrophobicContact CD2-CD1 3.61Å; F60-F144 HydrophobicContact CD2-CD2 4.41Å; F60-F144 AromaticContact CD2-CE1 3.88Å; F60-F144 HydrophobicContact CD2-CE1 3.88Å; F60-F144 AromaticContact CD2-CG 3.91Å; F60-F144 HydrophobicContact CD2-CG 3.91Å; F60-F144 HydrophobicContact CD2-CZ 4.38Å; F60-F144 HydrophobicContact CE2-CD1 4.37Å; F60-F144 HydrophobicContact CG-CD1 4.41Å; F60-F144 HydrophobicContact CG-CE1 4.25Å; F60-F145 HydrophobicContact CD2-CD2 4.48Å; F60-F145 AromaticContact CD2-CE2 3.92Å; F60-F145 HydrophobicContact CD2-CE2 3.92Å; F60-F145 HydrophobicContact CE1-CE2 4.31Å; F60-F145 HydrophobicContact CE2-CD2 4.03Å; F60-F145 AromaticContact CE2-CE2 3.49Å; F60-F145 HydrophobicContact CE2-CE2 3.49Å; F60-F145 VanDerWaalsContact CE2-CE2 3.49Å; F60-F145 HydrophobicContact CG-CE2 4.5Å; F60-F145 AromaticContact CZ-CE2 3.7Å; F60-F145 HydrophobicContact CZ-CE2 3.7Å
61Y93Very high94.9Very high13 Ų1387.4 Ų87.45%0.05141%0.407CS..THydrogen-bonded Turntrans-96.121.2-178.1-66.6-68.9000113.7W52 S57 E63 H64 Y70 L73 M77W52-Y61 HydrophobicContact CZ3-CE2 4.43Å; S57-Y61 WeakPolarHBondContact O-CD2 3.5Å; S57-Y61 PolarHBondContact O-N 3.35Å; Y61-E63 PolarHBondContact O-N 3.15Å; Y61-E63 VanDerWaalsContact O-N 3.13Å; Y61-H64 AromaticContact CD1-CD2 3.87Å; Y61-H64 WeakPolarHBondContact O-CA 3.5Å; Y61-H64 WeakPolarHBondContact O-CB 3.3Å; Y61-H64 PolarHBondContact O-N 2.92Å; Y61-Y70 VanDerWaalsContact O-CE2 3.22Å; Y61-Y70 WeakPolarHBondContact O-CE2 3.49Å; Y61-L73 HydrophobicContact CD1-CD2 3.51Å; Y61-L73 HydrophobicContact CD1-CG 4.25Å; Y61-L73 HydrophobicContact CD2-CD2 4.14Å; Y61-L73 HydrophobicContact CD2-CG 4.03Å; Y61-L73 HydrophobicContact CE1-CD1 4.35Å; Y61-L73 HydrophobicContact CE1-CD2 3.71Å; Y61-L73 HydrophobicContact CE1-CG 4.24Å; Y61-L73 HydrophobicContact CE2-CD1 4.25Å; Y61-L73 HydrophobicContact CE2-CD2 4.35Å; Y61-L73 HydrophobicContact CE2-CG 4.06Å; Y61-L73 HydrophobicContact CG-CD2 3.71Å; Y61-L73 HydrophobicContact CG-CG 4.12Å; Y61-M77 HydrophobicContact CE2-CB 4.12Å; Y61-M77 HydrophobicContact CE2-CG 3.65Å
62A94.6Very high94.8Very high49 Ų4990.4 Ų90.441%0.40541%0.407SS..G310 helixtrans-55.4-35-175.200000113.2E58 H64 S65E58-A62 WeakPolarHBondContact O-CA 3.14Å; E58-A62 PolarHBondContact O-N 3.48Å; E58-A62 VanDerWaalsContact O-N 3.08Å; A62-H64 PolarHBondContact O-N 3.19Å; A62-H64 VanDerWaalsContact O-N 3.09Å; A62-S65 VanDerWaalsContact O-CB 3.28Å; A62-S65 WeakPolarHBondContact O-CB 3.33Å; A62-S65 PolarHBondContact O-N 3.31Å; A62-S65 PolarHBondContact O-OG 3.46Å
63E90.8Very high94.7Very high154 Ų15490.1 Ų90.172%0.7241%0.407SS*.G310 helixtrans-62.2-14.2175.1-62.5-176.7165.100113.6Y61Y61-E63 PolarHBondContact O-N 3.15Å; Y61-E63 VanDerWaalsContact O-N 3.13Å
64H91.8Very high94.7Very high65 Ų6582.6 Ų82.630%0.30137%0.374SS..G310 helixtrans-106.15.5177.8-59.9-21.5000113.1Y61 A62 E66 R67 F69 Y70Y61-H64 AromaticContact CD1-CD2 3.87Å; Y61-H64 WeakPolarHBondContact O-CA 3.5Å; Y61-H64 WeakPolarHBondContact O-CB 3.3Å; Y61-H64 PolarHBondContact O-N 2.92Å; A62-H64 PolarHBondContact O-N 3.19Å; A62-H64 VanDerWaalsContact O-N 3.09Å; H64-E66 PolarHBondContact O-N 3.18Å; H64-E66 VanDerWaalsContact O-N 3.08Å; H64-R67 HydrophobicContact CB-CB 4.5Å; H64-R67 HydrophobicContact CB-CG 4.13Å; H64-R67 VanDerWaalsContact O-CB 3.25Å; H64-R67 WeakPolarHBondContact O-CB 3.49Å; H64-R67 WeakPolarHBondContact O-CG 3.41Å; H64-R67 PolarHBondContact O-N 3.24Å; H64-F69 HydrophobicContact CB-CE2 4.26Å; H64-Y70 HydrophobicContact CB-CD2 4.1Å; H64-Y70 VanDerWaalsContact O-CB 3.3Å; H64-Y70 WeakPolarHBondContact O-CB 3.46Å
65S94.1Very high94.7Very high69 Ų6983.3 Ų83.348%0.48338%0.382SS..THydrogen-bonded Turntrans-53.7-32.4-173.350.90000115A62A62-S65 VanDerWaalsContact O-CB 3.28Å; A62-S65 WeakPolarHBondContact O-CB 3.33Å; A62-S65 PolarHBondContact O-N 3.31Å; A62-S65 PolarHBondContact O-OG 3.46Å
66E94.8Very high94.7Very high191 Ų19177.8 Ų77.889%0.89336%0.356SS*.THydrogen-bonded Turntrans-87.5-2.6178.1-59.3-172.6163.400114H64H64-E66 PolarHBondContact O-N 3.18Å; H64-E66 VanDerWaalsContact O-N 3.08Å
67R93.9Very high94.8Very high155 Ų15576.2 Ų76.259%0.58535%0.347SS*.SBendtrans-83.1139.4-178.3-57-63.1-172172.10.6110.5H64 F69 Y70H64-R67 HydrophobicContact CB-CB 4.5Å; H64-R67 HydrophobicContact CB-CG 4.13Å; H64-R67 VanDerWaalsContact O-CB 3.25Å; H64-R67 WeakPolarHBondContact O-CB 3.49Å; H64-R67 WeakPolarHBondContact O-CG 3.41Å; H64-R67 PolarHBondContact O-N 3.24Å; R67-F69 HydrophobicContact CB-CD1 4.02Å; R67-F69 HydrophobicContact CB-CD2 4.39Å; R67-F69 HydrophobicContact CB-CE1 3.65Å; R67-F69 HydrophobicContact CB-CE2 4.04Å; R67-F69 HydrophobicContact CB-CG 4.38Å; R67-F69 HydrophobicContact CB-CZ 3.66Å; R67-F69 HydrophobicContact CG-CE1 4.08Å; R67-F69 HydrophobicContact CG-CE2 4.47Å; R67-F69 HydrophobicContact CG-CZ 3.84Å; R67-F69 PolarHBondContact O-N 3.29Å; R67-Y70 WeakPolarHBondContact O-CB 3.31Å; R67-Y70 PolarHBondContact O-N 2.88Å
68F93.8Very high94.9Very high199 Ų19977.8 Ų77.887%0.87336%0.358SS*.THydrogen-bonded Turntrans-56.2-24.1-179.573.7-91000114.5
69F90.7Very high94.9Very high64 Ų6479.1 Ų79.128%0.28137%0.374SS..THydrogen-bonded Turntrans-91.6-4.6179.859.4-103.2000114H64 R67 Q71 R72 L73H64-F69 HydrophobicContact CB-CE2 4.26Å; R67-F69 HydrophobicContact CB-CD1 4.02Å; R67-F69 HydrophobicContact CB-CD2 4.39Å; R67-F69 HydrophobicContact CB-CE1 3.65Å; R67-F69 HydrophobicContact CB-CE2 4.04Å; R67-F69 HydrophobicContact CB-CG 4.38Å; R67-F69 HydrophobicContact CB-CZ 3.66Å; R67-F69 HydrophobicContact CG-CE1 4.08Å; R67-F69 HydrophobicContact CG-CE2 4.47Å; R67-F69 HydrophobicContact CG-CZ 3.84Å; R67-F69 PolarHBondContact O-N 3.29Å; F69-Q71 PolarHBondContact O-N 2.98Å; F69-R72 PolarHBondContact O-N 3.16Å; F69-L73 HydrophobicContact CD2-CB 4.48Å; F69-L73 HydrophobicContact CD2-CD2 4.32Å; F69-L73 HydrophobicContact CE2-CD2 4.23Å; F69-L73 PolarHBondContact O-N 3.29Å
70Y94.7Very high94.9Very high22 Ų2273 Ų739%0.08636%0.355CS..Hα-helixtrans-56.2-50.7-171.4176.4-112.7000113.3E58 Y61 H64 R67 R72 L73 V74E58-Y70 WeakPolarHBondContact CA-OH 3.49Å; E58-Y70 WeakPolarHBondContact CB-OH 2.99Å; E58-Y70 PolarHBondContact O-OH 3.05Å; Y61-Y70 VanDerWaalsContact O-CE2 3.22Å; Y61-Y70 WeakPolarHBondContact O-CE2 3.49Å; H64-Y70 HydrophobicContact CB-CD2 4.1Å; H64-Y70 VanDerWaalsContact O-CB 3.3Å; H64-Y70 WeakPolarHBondContact O-CB 3.46Å; R67-Y70 WeakPolarHBondContact O-CB 3.31Å; R67-Y70 PolarHBondContact O-N 2.88Å; Y70-R72 VanDerWaalsContact C-N 3.32Å; Y70-R72 PolarHBondContact O-N 3.38Å; Y70-L73 WeakPolarHBondContact O-CB 3.35Å; Y70-L73 PolarHBondContact O-N 3Å; Y70-L73 VanDerWaalsContact O-N 3.08Å; Y70-V74 HydrophobicContact CD2-CG2 4.04Å; Y70-V74 HydrophobicContact CE1-CG2 4.12Å; Y70-V74 HydrophobicContact CE2-CG2 3.57Å; Y70-V74 HydrophobicContact CG-CG2 4.49Å; Y70-V74 WeakPolarHBondContact O-CG2 3.48Å; Y70-V74 PolarHBondContact O-N 2.82Å
71Q95.9Very high95.1Very high94 Ų9474.6 Ų74.644%0.43937%0.368SS..Hα-helixtrans-58.8-45.6-178.2-67.4-61.6-25.600111.5F69 L73 V74 E75F69-Q71 PolarHBondContact O-N 2.98Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 2.78Å; Q71-V74 PolarHBondContact O-N 2.94Å; Q71-E75 WeakPolarHBondContact O-CB 3.28Å; Q71-E75 VanDerWaalsContact O-CG 3.26Å; Q71-E75 WeakPolarHBondContact O-CG 3.35Å; Q71-E75 PolarHBondContact O-N 2.99Å
72R95.3Very high95.4Very high164 Ų16474 Ų7462%0.61937%0.366SS*.Hα-helixtrans-63-39176.6-173.7-175.2-69.8168.2-1.5112F69 Y70 F76 T125F69-R72 PolarHBondContact O-N 3.16Å; Y70-R72 VanDerWaalsContact C-N 3.32Å; Y70-R72 PolarHBondContact O-N 3.38Å; R72-F76 WeakPolarHBondContact O-CB 3.49Å; R72-F76 PolarHBondContact O-N 3.41Å; R72-T125 HydrophobicContact CG-CG2 4.2Å
73L94.8Very high95.5Very high15 Ų1573.8 Ų73.88%0.07936%0.355CS..Hα-helixtrans-65.9-46.8178.7177.560.4000111.3Y61 F69 Y70 Q71 F76 M77 T125Y61-L73 HydrophobicContact CD1-CD2 3.51Å; Y61-L73 HydrophobicContact CD1-CG 4.25Å; Y61-L73 HydrophobicContact CD2-CD2 4.14Å; Y61-L73 HydrophobicContact CD2-CG 4.03Å; Y61-L73 HydrophobicContact CE1-CD1 4.35Å; Y61-L73 HydrophobicContact CE1-CD2 3.71Å; Y61-L73 HydrophobicContact CE1-CG 4.24Å; Y61-L73 HydrophobicContact CE2-CD1 4.25Å; Y61-L73 HydrophobicContact CE2-CD2 4.35Å; Y61-L73 HydrophobicContact CE2-CG 4.06Å; Y61-L73 HydrophobicContact CG-CD2 3.71Å; Y61-L73 HydrophobicContact CG-CG 4.12Å; F69-L73 HydrophobicContact CD2-CB 4.48Å; F69-L73 HydrophobicContact CD2-CD2 4.32Å; F69-L73 HydrophobicContact CE2-CD2 4.23Å; F69-L73 PolarHBondContact O-N 3.29Å; Y70-L73 WeakPolarHBondContact O-CB 3.35Å; Y70-L73 PolarHBondContact O-N 3Å; Y70-L73 VanDerWaalsContact O-N 3.08Å; Q71-L73 VanDerWaalsContact C-N 3.33Å; Q71-L73 PolarHBondContact O-N 2.78Å; L73-F76 PolarHBondContact O-N 2.92Å; L73-M77 HydrophobicContact CD1-CG 4.01Å; L73-M77 WeakPolarHBondContact O-CB 3.37Å; L73-M77 VanDerWaalsContact O-CG 3.27Å; L73-M77 WeakPolarHBondContact O-CG 3.33Å; L73-M77 PolarHBondContact O-N 2.93Å; L73-T125 HydrophobicContact CB-CG2 4.43Å; L73-T125 HydrophobicContact CD1-CG2 4.24Å
74V97Very high95.9Very high0 Ų066.5 Ų66.50%032%0.321CS..Hα-helixtrans-60.5-51.3176.51630000110.9R54 E58 Y70 Q71 F76 M77 S78R54-V74 HydrophobicContact CG-CG1 3.58Å; E58-V74 HydrophobicContact CG-CB 4.43Å; E58-V74 HydrophobicContact CG-CG1 3.59Å; E58-V74 HydrophobicContact CG-CG2 3.96Å; Y70-V74 HydrophobicContact CD2-CG2 4.04Å; Y70-V74 HydrophobicContact CE1-CG2 4.12Å; Y70-V74 HydrophobicContact CE2-CG2 3.57Å; Y70-V74 HydrophobicContact CG-CG2 4.49Å; Y70-V74 WeakPolarHBondContact O-CG2 3.48Å; Y70-V74 PolarHBondContact O-N 2.82Å; Q71-V74 PolarHBondContact O-N 2.94Å; V74-F76 VanDerWaalsContact C-N 3.33Å; V74-F76 PolarHBondContact O-N 3.4Å; V74-M77 PolarHBondContact O-N 3.45Å; V74-S78 PolarHBondContact O-N 3.34Å; V74-S78 PolarHBondContact O-OG 2.92Å
75E97Very high96.3Very high106 Ų10663.5 Ų63.550%0.49531%0.307SS..Hα-helixtrans-57.7-48.1179.2-75.5168.5-172.600111.2R54 Q71 S78 S79R54-E75 IonicContact NH1-OE1 2.87Å; Q71-E75 WeakPolarHBondContact O-CB 3.28Å; Q71-E75 VanDerWaalsContact O-CG 3.26Å; Q71-E75 WeakPolarHBondContact O-CG 3.35Å; Q71-E75 PolarHBondContact O-N 2.99Å; E75-S78 CarbonylContact O-C 3.6Å; E75-S78 PolarHBondContact O-N 3.3Å; E75-S78 PolarHBondContact O-OG 3.25Å; E75-S79 PolarHBondContact O-N 3.1Å; E75-S79 VanDerWaalsContact O-N 3.13Å
76F97.5Very high96.5Very high11 Ų1160.2 Ų60.25%0.04828%0.284CS..Hα-helixtrans-62.1-46.6179.4170.2-127.2000112.8K20 P21 D22 R72 L73 V74 S78 S79 T125 R126K20-F76 HydrophobicContact CB-CE1 4.2Å; K20-F76 HydrophobicContact CB-CZ 4.03Å; K20-F76 HydrophobicContact CD-CE1 3.87Å; K20-F76 HydrophobicContact CD-CZ 4.47Å; P21-F76 HydrophobicContact CB-CE2 4.18Å; P21-F76 HydrophobicContact CG-CE2 4.5Å; D22-F76 HydrophobicContact CB-CE2 4.03Å; D22-F76 HydrophobicContact CB-CZ 3.9Å; D22-F76 WeakPolarHBondContact OD1-CZ 3.35Å; R72-F76 WeakPolarHBondContact O-CB 3.49Å; R72-F76 PolarHBondContact O-N 3.41Å; L73-F76 PolarHBondContact O-N 2.92Å; V74-F76 VanDerWaalsContact C-N 3.33Å; V74-F76 PolarHBondContact O-N 3.4Å; F76-S78 PolarHBondContact O-N 3.01Å; F76-S79 WeakPolarHBondContact O-CB 3.45Å; F76-S79 PolarHBondContact O-N 3.45Å; F76-S79 PolarHBondContact O-OG 2.89Å; F76-T125 HydrophobicContact CB-CG2 4.3Å; F76-T125 HydrophobicContact CD1-CG2 3.87Å; F76-T125 WeakPolarHBondContact CE1-O 3.39Å; F76-T125 HydrophobicContact CG-CG2 4.4Å; F76-R126 HydrophobicContact CD1-CG 4.34Å; F76-R126 HydrophobicContact CD2-CG 4.01Å; F76-R126 HydrophobicContact CE1-CB 4.46Å; F76-R126 HydrophobicContact CE1-CG 4.08Å; F76-R126 HydrophobicContact CE2-CG 3.78Å; F76-R126 HydrophobicContact CG-CG 4.29Å; F76-R126 HydrophobicContact CZ-CB 4.19Å; F76-R126 HydrophobicContact CZ-CG 3.81Å
77M97.5Very high96.7Very high0 Ų051.1 Ų51.10%024%0.241CC..Hα-helixtrans-68.5-21.7-178.8-69.3-66.2-52.700112.2V18 K20 W52 Y61 L73 V74 M82V18-M77 HydrophobicContact CG1-CE 4.4Å; K20-M77 HydrophobicContact CB-SD 4.31Å; K20-M77 HydrophobicContact CD-SD 3.89Å; K20-M77 HydrophobicContact CG-CE 4.34Å; K20-M77 HydrophobicContact CG-SD 3.84Å; W52-M77 HydrophobicContact CZ3-CE 4.41Å; Y61-M77 HydrophobicContact CE2-CB 4.12Å; Y61-M77 HydrophobicContact CE2-CG 3.65Å; L73-M77 HydrophobicContact CD1-CG 4.01Å; L73-M77 WeakPolarHBondContact O-CB 3.37Å; L73-M77 VanDerWaalsContact O-CG 3.27Å; L73-M77 WeakPolarHBondContact O-CG 3.33Å; L73-M77 PolarHBondContact O-N 2.93Å; V74-M77 PolarHBondContact O-N 3.45Å; M77-M82 HydrophobicContact CE-CE 3.69Å; M77-M82 HydrophobicContact CE-SD 3.73Å; M77-M82 WeakPolarHBondContact O-CE 3.39Å
78S97.4Very high96.9Very high33 Ų3343.8 Ų43.823%0.23121%0.213CC..THydrogen-bonded Turntrans-92.83.6172.267.20000115W52 V74 E75 F76 G80W52-S78 WeakPolarHBondContact O-CA 3.39Å; W52-S78 WeakPolarHBondContact O-CB 3.41Å; V74-S78 PolarHBondContact O-N 3.34Å; V74-S78 PolarHBondContact O-OG 2.92Å; E75-S78 CarbonylContact O-C 3.6Å; E75-S78 PolarHBondContact O-N 3.3Å; E75-S78 PolarHBondContact O-OG 3.25Å; F76-S78 PolarHBondContact O-N 3.01Å; S78-G80 VanDerWaalsContact C-N 3.34Å; S78-G80 PolarHBondContact O-N 2.82Å
79S97.6Very high97Very high83 Ų8337.2 Ų37.258%0.5818%0.183SC*.SBendtrans-84.5-3.7-171.4800000114.7E75 F76E75-S79 PolarHBondContact O-N 3.1Å; E75-S79 VanDerWaalsContact O-N 3.13Å; F76-S79 WeakPolarHBondContact O-CB 3.45Å; F76-S79 PolarHBondContact O-N 3.45Å; F76-S79 PolarHBondContact O-OG 2.89Å
80G97.2Very high97.2Very high14 Ų1437.3 Ų37.314%0.14418%0.184CC..SBendtrans174.9-175.1-175.300000113.9S78S78-G80 VanDerWaalsContact C-N 3.34Å; S78-G80 PolarHBondContact O-N 2.82Å
81P98.1Very high97.3Very high65 Ų6538.9 Ų38.942%0.42219%0.194SC..EExtended strand (participates in β ladder)trans-66.7147.7177.829-34.6000111.7P21 I24 L50 V51P21-P81 VanDerWaalsContact CA-O 3.27Å; P21-P81 WeakPolarHBondContact CA-O 3.14Å; I24-P81 HydrophobicContact CG2-CB 4.06Å; I24-P81 HydrophobicContact CG2-CG 3.89Å; L50-P81 CarbonylContact O-C 3.54Å; L50-P81 WeakPolarHBondContact O-CA 3.47Å; V51-P81 HydrophobicContact CG2-CB 4.08Å
82M98.1Very high97.4Very high0 Ų034.4 Ų34.40%017%0.173CC..EExtended strand (participates in β ladder)trans-134163.4171.369.1-175.17500109V18 I19 P21 D49 L50 W52 M77 F145V18-M82 HydrophobicContact CG1-CB 4.34Å; V18-M82 HydrophobicContact CG1-CG 4.34Å; V18-M82 HydrophobicContact CG1-SD 3.93Å; I19-M82 WeakPolarHBondContact O-CA 3.4Å; I19-M82 VanDerWaalsContact O-CB 3.28Å; I19-M82 WeakPolarHBondContact O-CB 3.48Å; P21-M82 HydrophobicContact CG-CB 4.46Å; D49-M82 WeakPolarHBondContact CA-O 3.21Å; L50-M82 HydrophobicContact CD1-CG 4.47Å; L50-M82 HydrophobicContact CD1-SD 4.43Å; L50-M82 HydrophobicContact CD2-CG 3.53Å; L50-M82 HydrophobicContact CD2-SD 4.32Å; L50-M82 HydrophobicContact CG-CG 3.64Å; L50-M82 HydrophobicContact CG-SD 4.2Å; L50-M82 PolarHBondContact N-O 2.85Å; L50-M82 PolarHBondContact O-N 3.28Å; W52-M82 HydrophobicContact CB-CE 4.02Å; W52-M82 HydrophobicContact CD2-CE 3.91Å; W52-M82 HydrophobicContact CD2-SD 4.13Å; W52-M82 HydrophobicContact CE3-CE 3.8Å; W52-M82 HydrophobicContact CE3-SD 4.13Å; W52-M82 HydrophobicContact CG-CE 4.02Å; M77-M82 HydrophobicContact CE-CE 3.69Å; M77-M82 HydrophobicContact CE-SD 3.73Å; M77-M82 WeakPolarHBondContact O-CE 3.39Å; M82-F145 HydrophobicContact SD-CE1 4.11Å
83R98.6Very high97.6Very high46 Ų4627 Ų2717%0.17415%0.146CC..EExtended strand (participates in β ladder)trans-119130.3173.8-173.6167-70.8-175.3-9.6110.1V18 I19 I24 K48 D49 Y85 Q174V18-R83 CarbonylContact C-O 3.11Å; V18-R83 WeakPolarHBondContact CA-O 3.49Å; I19-R83 HydrophobicContact CB-CB 4.25Å; I19-R83 HydrophobicContact CG1-CB 4.46Å; I19-R83 PolarHBondContact N-O 3.37Å; I19-R83 PolarHBondContact O-N 2.76Å; I24-R83 HydrophobicContact CD1-CB 3.69Å; I24-R83 HydrophobicContact CG1-CB 4.3Å; K48-R83 WeakPolarHBondContact O-CA 3.45Å; D49-R83 VanDerWaalsContact OD1-CB 3.29Å; D49-R83 WeakPolarHBondContact OD1-CB 3.39Å; D49-R83 WeakPolarHBondContact OD1-CG 3.41Å; D49-R83 IonicContact OD1-CZ 2.69Å; D49-R83 IonicContact OD1-NE 3.37Å; D49-R83 PolarHBondContact OD1-NE 2.89Å; D49-R83 IonicContact OD1-NH2 3.46Å; D49-R83 PolarHBondContact OD1-NH2 2.75Å; D49-R83 IonicContact OD2-CZ 3.91Å; D49-R83 IonicContact OD2-NE 2.75Å; D49-R83 IonicContact OD2-NH2 3.6Å; D49-R83 PolarHBondContact OD2-NH2 3.37Å; R83-Y85 WeakPolarHBondContact CD-OH 3.48Å; R83-Y85 HydrophobicContact CG-CD2 4.42Å; R83-Y85 HydrophobicContact CG-CE1 4.36Å; R83-Y85 HydrophobicContact CG-CE2 3.79Å; R83-Q174 VanDerWaalsContact NH1-OE1 3.1Å
84A98.6Very high97.8Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-111.5143.6175.500000110.7A17 V18 C47 K48 L50 F145 F146A17-A84 CarbonylContact O-C 3.59Å; A17-A84 WeakPolarHBondContact O-CA 3.39Å; V18-A84 HydrophobicContact CG2-CB 4.44Å; C47-A84 WeakPolarHBondContact CA-O 3.12Å; K48-A84 HydrophobicContact CG-CB 4.38Å; K48-A84 PolarHBondContact N-O 3.12Å; K48-A84 PolarHBondContact O-N 2.69Å; L50-A84 HydrophobicContact CD2-CB 3.92Å; A84-F145 HydrophobicContact CB-CD1 3.53Å; A84-F145 HydrophobicContact CB-CE1 3.97Å; A84-F145 HydrophobicContact CB-CG 4.34Å; A84-F146 HydrophobicContact CB-CE2 3.94Å; A84-F146 HydrophobicContact CB-CZ 3.89Å
85Y98.9Very high97.8Very high3 Ų335.3 Ų35.31%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-128.4141.6175-59.3-83.6000110.7A17 I19 H34 I37 I44 R46 C47 R83 L87A17-Y85 PolarHBondContact N-O 3.39Å; A17-Y85 PolarHBondContact O-N 3.11Å; I19-Y85 HydrophobicContact CD1-CE2 4.39Å; I19-Y85 HydrophobicContact CG1-CD2 4.27Å; I19-Y85 HydrophobicContact CG1-CE2 3.73Å; H34-Y85 AromaticContact ND1-CE1 3.97Å; H34-Y85 AromaticContact ND1-CZ 3.78Å; H34-Y85 PolarHBondContact ND1-OH 2.97Å; I37-Y85 HydrophobicContact CD1-CD2 3.96Å; I37-Y85 HydrophobicContact CD1-CE2 3.89Å; I44-Y85 HydrophobicContact CD1-CD1 4.48Å; I44-Y85 HydrophobicContact CD1-CE1 4.32Å; I44-Y85 HydrophobicContact CG2-CD1 3.65Å; I44-Y85 HydrophobicContact CG2-CE1 4.26Å; R46-Y85 CarbonylContact O-C 3.57Å; R46-Y85 VanDerWaalsContact O-CA 3.28Å; R46-Y85 WeakPolarHBondContact O-CA 3.24Å; C47-Y85 HydrophobicContact CB-CD1 3.86Å; C47-Y85 HydrophobicContact CB-CE1 3.94Å; C47-Y85 WeakPolarHBondContact SG-CE1 3.2Å; R83-Y85 WeakPolarHBondContact CD-OH 3.48Å; R83-Y85 HydrophobicContact CG-CD2 4.42Å; R83-Y85 HydrophobicContact CG-CE1 4.36Å; R83-Y85 HydrophobicContact CG-CE2 3.79Å; Y85-L87 HydrophobicContact CG-CD2 4.24Å
86V98.8Very high97.9Very high0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-94.9113.4156.9179.70000106.8L14 V45 R46 I142 F146 F149L14-V86 HydrophobicContact CD1-CG1 4.46Å; L14-V86 HydrophobicContact CD2-CG1 3.83Å; V45-V86 HydrophobicContact CB-CB 4.26Å; V45-V86 HydrophobicContact CB-CG1 4.05Å; V45-V86 HydrophobicContact CG1-CG1 4.47Å; V45-V86 PolarHBondContact N-O 3.1Å; R46-V86 HydrophobicContact CB-CB 3.95Å; R46-V86 HydrophobicContact CB-CG2 3.88Å; R46-V86 HydrophobicContact CG-CB 4.43Å; R46-V86 HydrophobicContact CG-CG2 4.3Å; R46-V86 PolarHBondContact N-O 3.33Å; R46-V86 PolarHBondContact O-N 3.05Å; V86-I142 HydrophobicContact CG1-CD1 4.07Å; V86-I142 HydrophobicContact CG2-CG1 4.24Å; V86-I142 HydrophobicContact CG2-CG2 3.77Å; V86-F146 HydrophobicContact CG2-CD2 3.5Å; V86-F146 VanDerWaalsContact CG2-CD2 3.5Å; V86-F146 HydrophobicContact CG2-CE2 3.57Å; V86-F146 HydrophobicContact CG2-CG 4.03Å; V86-F146 HydrophobicContact CG2-CZ 4.13Å; V86-F149 HydrophobicContact CG1-CE1 4.01Å; V86-F149 HydrophobicContact CG1-CZ 4.13Å
87L98.8Very high98Very high0 Ų034.6 Ų34.60%017%0.17CC..EExtended strand (participates in β ladder)trans-107.3136.1-178.1-58.2-177.6000110.6L14 T15 A17 I37 F42 V43 I44 Y85 W96L14-L87 CarbonylContact C-O 3.03Å; L14-L87 VanDerWaalsContact CA-O 3.31Å; L14-L87 WeakPolarHBondContact CA-O 3.25Å; T15-L87 HydrophobicContact CG2-CB 3.97Å; T15-L87 PolarHBondContact N-O 3.06Å; T15-L87 PolarHBondContact O-N 2.85Å; A17-L87 HydrophobicContact CB-CD1 3.55Å; A17-L87 HydrophobicContact CB-CG 4.07Å; I37-L87 HydrophobicContact CD1-CD1 4.26Å; I37-L87 HydrophobicContact CG1-CD1 4.28Å; I37-L87 HydrophobicContact CG2-CD1 4.09Å; I37-L87 HydrophobicContact CG2-CD2 3.65Å; F42-L87 HydrophobicContact CB-CB 4.49Å; F42-L87 HydrophobicContact CB-CD2 4.38Å; F42-L87 HydrophobicContact CD1-CB 3.71Å; F42-L87 HydrophobicContact CD1-CD1 4.07Å; F42-L87 HydrophobicContact CD1-CG 4.45Å; F42-L87 HydrophobicContact CE1-CB 4.27Å; F42-L87 HydrophobicContact CE1-CD1 4.39Å; F42-L87 HydrophobicContact CG-CB 4.35Å; F42-L87 HydrophobicContact CG-CD1 4.16Å; V43-L87 CarbonylContact O-C 3.51Å; V43-L87 WeakPolarHBondContact O-CA 3.22Å; I44-L87 HydrophobicContact CB-CD2 4.35Å; I44-L87 HydrophobicContact CG1-CD2 3.86Å; I44-L87 HydrophobicContact CG2-CD2 4.36Å; Y85-L87 HydrophobicContact CG-CD2 4.24Å; L87-W96 HydrophobicContact CD1-CD2 4.4Å; L87-W96 HydrophobicContact CD1-CE3 4.32Å
88A98.2Very high98Very high0 Ų039.5 Ų39.50%020%0.197CC..EExtended strand (participates in β ladder)trans-114.4133.517500000111.2L12 Q13 L14 V43 V45 W154L12-A88 HydrophobicContact CB-CB 4.38Å; L12-A88 HydrophobicContact CD1-CB 4.24Å; Q13-A88 WeakPolarHBondContact O-CA 3.4Å; L14-A88 HydrophobicContact CD2-CB 3.64Å; V43-A88 HydrophobicContact CB-CB 3.96Å; V43-A88 WeakPolarHBondContact CB-O 3.34Å; V43-A88 HydrophobicContact CG1-CB 4.31Å; V43-A88 PolarHBondContact N-O 3.01Å; V43-A88 PolarHBondContact O-N 2.84Å; V45-A88 HydrophobicContact CG2-CB 3.65Å; A88-W154 HydrophobicContact CB-CH2 3.73Å; A88-W154 HydrophobicContact CB-CZ3 4.33Å
89R96.7Very high98.1Very high62 Ų6239.4 Ų39.423%0.23419%0.193CC..EExtended strand (participates in β ladder)trans-166.8159175.1-165.8-174.5177.5-88.27.2109.6Q13 N40 F42 D91 A92 H95Q13-R89 PolarHBondContact N-O 3.38Å; Q13-R89 PolarHBondContact O-N 3.36Å; Q13-R89 VanDerWaalsContact O-O 3.11Å; N40-R89 PolarHBondContact O-NE 3.42Å; F42-R89 HydrophobicContact CD1-CB 3.65Å; F42-R89 HydrophobicContact CD1-CG 4.39Å; F42-R89 HydrophobicContact CE1-CB 3.75Å; F42-R89 HydrophobicContact CE1-CG 4.44Å; R89-D91 PolarHBondContact O-N 3.24Å; R89-A92 HydrophobicContact CB-CB 3.89Å; R89-A92 WeakPolarHBondContact O-CB 3.26Å; R89-A92 PolarHBondContact O-N 2.89Å; R89-H95 PolarHBondContact NE-CD2 3.41Å; R89-H95 PolarHBondContact NE-NE2 2.97Å; R89-H95 PolarHBondContact NH2-CE1 2.93Å; R89-H95 VanDerWaalsContact NH2-CE1 3.27Å; R89-H95 PolarHBondContact NH2-NE2 3.27Å
90E95.6Very high98.1Very high65 Ų6535.4 Ų35.430%0.30417%0.166SC..THydrogen-bonded Turntrans-56.5128.2158.3-174.6179.1163.500109.6K10 A92K10-E90 HydrophobicContact CB-CG 3.98Å; K10-E90 HydrophobicContact CD-CG 4.34Å; K10-E90 WeakPolarHBondContact CD-OE1 3.3Å; K10-E90 WeakPolarHBondContact CE-OE1 3.5Å; K10-E90 IonicContact NZ-OE1 2.69Å; K10-E90 PolarHBondContact NZ-OE1 3.26Å; E90-A92 PolarHBondContact O-N 3.27Å
91D96.3Very high98.2Very high56 Ų5635.3 Ų35.330%0.29916%0.164SC..THydrogen-bonded Turntrans51.138.5-176.1-58.1-26.7000114.3Q13 R89 V93 R94 H95Q13-D91 VanDerWaalsContact OE1-C 3.22Å; R89-D91 PolarHBondContact O-N 3.24Å; D91-V93 VanDerWaalsContact C-N 3.29Å; D91-V93 PolarHBondContact O-N 2.94Å; D91-R94 HydrophobicContact CB-CB 4.48Å; D91-R94 PolarHBondContact O-N 3.26Å; D91-R94 IonicContact OD2-CZ 3.97Å; D91-R94 IonicContact OD2-NE 2.66Å; D91-R94 IonicContact OD2-NH2 3.61Å; D91-R94 PolarHBondContact OD2-NH2 3.44Å; D91-H95 WeakPolarHBondContact O-CB 3.27Å; D91-H95 PolarHBondContact O-N 2.94Å
92A98.3Very high98.2Very high0 Ų033.6 Ų33.60%015%0.153CC..Hα-helixtrans-50.2-43.1-174.700000114.3Q13 T15 F42 R89 E90 H95 W96Q13-A92 HydrophobicContact CB-CB 4.15Å; Q13-A92 HydrophobicContact CG-CB 4.31Å; Q13-A92 WeakPolarHBondContact O-CB 3.47Å; Q13-A92 VanDerWaalsContact OE1-N 3.1Å; T15-A92 HydrophobicContact CG2-CB 3.92Å; F42-A92 HydrophobicContact CE1-CB 3.99Å; R89-A92 HydrophobicContact CB-CB 3.89Å; R89-A92 WeakPolarHBondContact O-CB 3.26Å; R89-A92 PolarHBondContact O-N 2.89Å; E90-A92 PolarHBondContact O-N 3.27Å; A92-H95 PolarHBondContact O-N 3.39Å; A92-W96 VanDerWaalsContact O-CB 3.27Å; A92-W96 WeakPolarHBondContact O-CB 3.31Å; A92-W96 PolarHBondContact O-N 3.3Å
93V98.6Very high98Very high8 Ų837.3 Ų37.35%0.04818%0.176CC..Hα-helixtrans-61-53.5-179.5173.10000110.2Q13 D91 H95 R97 A138Q13-V93 HydrophobicContact CG-CG2 4.2Å; D91-V93 VanDerWaalsContact C-N 3.29Å; D91-V93 PolarHBondContact O-N 2.94Å; V93-H95 PolarHBondContact O-N 3.18Å; V93-R97 WeakPolarHBondContact O-CG 3.32Å; V93-R97 PolarHBondContact O-N 2.91Å; V93-R97 VanDerWaalsContact O-N 3.1Å; V93-A138 HydrophobicContact CG2-CB 4.29Å
94R98.4Very high98Very high151 Ų15139.8 Ų39.857%0.5719%0.188SC*.Hα-helixtrans-60.7-48.8179.4178.9178.663.1150.4-1.5110.7D91 W96 R97 D98D91-R94 HydrophobicContact CB-CB 4.48Å; D91-R94 PolarHBondContact O-N 3.26Å; D91-R94 IonicContact OD2-CZ 3.97Å; D91-R94 IonicContact OD2-NE 2.66Å; D91-R94 IonicContact OD2-NH2 3.61Å; D91-R94 PolarHBondContact OD2-NH2 3.44Å; R94-W96 PolarHBondContact O-N 3.08Å; R94-R97 WeakPolarHBondContact O-CB 3.49Å; R94-R97 PolarHBondContact O-N 3.45Å; R94-D98 VanDerWaalsContact O-CG 3.29Å; R94-D98 PolarHBondContact O-N 2.89Å
95H98.6Very high97.9Very high38 Ų3840 Ų4018%0.17619%0.189CC..Hα-helixtrans-65-39.6-174.8-16064.8000112.3F42 R89 D91 A92 V93 R97 D98 L99F42-H95 AromaticContact CE2-CD2 3.56Å; F42-H95 HydrophobicContact CZ-CB 3.99Å; F42-H95 AromaticContact CZ-CD2 3.7Å; R89-H95 PolarHBondContact NE-CD2 3.41Å; R89-H95 PolarHBondContact NE-NE2 2.97Å; R89-H95 PolarHBondContact NH2-CE1 2.93Å; R89-H95 VanDerWaalsContact NH2-CE1 3.27Å; R89-H95 PolarHBondContact NH2-NE2 3.27Å; D91-H95 WeakPolarHBondContact O-CB 3.27Å; D91-H95 PolarHBondContact O-N 2.94Å; A92-H95 PolarHBondContact O-N 3.39Å; V93-H95 PolarHBondContact O-N 3.18Å; H95-R97 VanDerWaalsContact C-N 3.35Å; H95-D98 PolarHBondContact O-N 3.1Å; H95-L99 WeakPolarHBondContact O-CG 3.38Å; H95-L99 PolarHBondContact O-N 2.99Å; H95-L99 VanDerWaalsContact O-N 3.09Å
96W98.8Very high97.8Very high0 Ų046 Ų460%022%0.216CC..Hα-helixtrans-65.3-41.4175.9179.4-127.1000111.1T15 A17 I19 I33 I37 F42 L87 A92 R94 D98 L99 M100 I116 T129 H130T15-W96 HydrophobicContact CG2-CB 3.96Å; T15-W96 HydrophobicContact CG2-CG 4.35Å; A17-W96 HydrophobicContact CB-CD2 4.08Å; A17-W96 HydrophobicContact CB-CG 4.48Å; A17-W96 HydrophobicContact CB-CH2 4.34Å; A17-W96 HydrophobicContact CB-CZ2 3.57Å; I19-W96 HydrophobicContact CD1-CH2 4.35Å; I19-W96 HydrophobicContact CD1-CZ2 4.41Å; I33-W96 HydrophobicContact CG2-CH2 4.14Å; I37-W96 HydrophobicContact CD1-CH2 4.28Å; I37-W96 HydrophobicContact CD1-CZ3 4.35Å; I37-W96 HydrophobicContact CG1-CH2 4.19Å; I37-W96 HydrophobicContact CG1-CZ3 3.79Å; F42-W96 HydrophobicContact CE1-CB 4.41Å; F42-W96 HydrophobicContact CE2-CE3 4.43Å; F42-W96 HydrophobicContact CZ-CB 3.91Å; L87-W96 HydrophobicContact CD1-CD2 4.4Å; L87-W96 HydrophobicContact CD1-CE3 4.32Å; A92-W96 VanDerWaalsContact O-CB 3.27Å; A92-W96 WeakPolarHBondContact O-CB 3.31Å; A92-W96 PolarHBondContact O-N 3.3Å; R94-W96 PolarHBondContact O-N 3.08Å; W96-D98 VanDerWaalsContact C-N 3.33Å; W96-D98 PolarHBondContact O-N 3.28Å; W96-L99 HydrophobicContact CE3-CB 4.34Å; W96-L99 HydrophobicContact CE3-CD1 4.33Å; W96-L99 PolarHBondContact O-N 3Å; W96-M100 HydrophobicContact CD2-CG 4.12Å; W96-M100 HydrophobicContact CG-CE 4.37Å; W96-M100 HydrophobicContact CH2-CG 4.49Å; W96-M100 HydrophobicContact CZ2-CG 3.9Å; W96-M100 HydrophobicContact CZ2-SD 4.2Å; W96-M100 PolarHBondContact NE1-SD 2.94Å; W96-M100 VanDerWaalsContact NE1-SD 3.45Å; W96-M100 WeakPolarHBondContact O-CG 3.44Å; W96-M100 PolarHBondContact O-N 3.34Å; W96-I116 HydrophobicContact CH2-CD1 3.66Å; W96-I116 HydrophobicContact CZ3-CD1 3.72Å; W96-T129 HydrophobicContact CH2-CG2 4.35Å; W96-T129 HydrophobicContact CZ2-CG2 4.14Å; W96-H130 PolarHBondContact NE1-O 3.4Å
97R98.6Very high97.8Very high102 Ų10250.1 Ų50.139%0.38524%0.235SC..Hα-helixtrans-61.6-39.8175.4-69.8177.870.1771.2113V93 R94 H95 M100 G101 S132V93-R97 WeakPolarHBondContact O-CG 3.32Å; V93-R97 PolarHBondContact O-N 2.91Å; V93-R97 VanDerWaalsContact O-N 3.1Å; R94-R97 WeakPolarHBondContact O-CB 3.49Å; R94-R97 PolarHBondContact O-N 3.45Å; H95-R97 VanDerWaalsContact C-N 3.35Å; R97-M100 HydrophobicContact CB-CE 4.37Å; R97-M100 HydrophobicContact CG-CE 3.92Å; R97-M100 PolarHBondContact O-N 3.18Å; R97-G101 PolarHBondContact O-N 3.17Å; R97-S132 WeakPolarHBondContact CD-O 3.35Å
98D98.4Very high97.7Very high103 Ų10350.1 Ų50.155%0.55124%0.235SC*.Hα-helixtrans-63.4-43.3176.2-66.3-21.7000111.2R94 H95 W96 G101R94-D98 VanDerWaalsContact O-CG 3.29Å; R94-D98 PolarHBondContact O-N 2.89Å; H95-D98 PolarHBondContact O-N 3.1Å; W96-D98 VanDerWaalsContact C-N 3.33Å; W96-D98 PolarHBondContact O-N 3.28Å; D98-G101 PolarHBondContact O-N 3.47Å
99L98.6Very high97.7Very high31 Ų3156.3 Ų56.316%0.16226%0.258CS..Hα-helixtrans-66.3-38.1176.3-68.8179.2000113T36 N40 F42 H95 W96 G101 C115 I116T36-L99 HydrophobicContact CG2-CD1 4.4Å; N40-L99 HydrophobicContact CB-CD1 3.69Å; F42-L99 HydrophobicContact CD2-CD1 4.48Å; F42-L99 HydrophobicContact CE2-CD1 3.71Å; H95-L99 WeakPolarHBondContact O-CG 3.38Å; H95-L99 PolarHBondContact O-N 2.99Å; H95-L99 VanDerWaalsContact O-N 3.09Å; W96-L99 HydrophobicContact CE3-CB 4.34Å; W96-L99 HydrophobicContact CE3-CD1 4.33Å; W96-L99 PolarHBondContact O-N 3Å; L99-G101 VanDerWaalsContact C-N 3.35Å; L99-C115 WeakPolarHBondContact O-CB 3.3Å; L99-I116 HydrophobicContact CB-CD1 4.31Å; L99-I116 WeakPolarHBondContact O-CG1 3.38Å; L99-I116 PolarHBondContact O-N 2.82Å
100M98.6Very high97.8Very high0 Ų063.1 Ų63.10%029%0.285CS..Hα-helixtrans-62.8-45.3172.4-69.3-166.3-71.400110.9W96 R97 C115 R117 T129W96-M100 HydrophobicContact CD2-CG 4.12Å; W96-M100 HydrophobicContact CG-CE 4.37Å; W96-M100 HydrophobicContact CH2-CG 4.49Å; W96-M100 HydrophobicContact CZ2-CG 3.9Å; W96-M100 HydrophobicContact CZ2-SD 4.2Å; W96-M100 PolarHBondContact NE1-SD 2.94Å; W96-M100 VanDerWaalsContact NE1-SD 3.45Å; W96-M100 WeakPolarHBondContact O-CG 3.44Å; W96-M100 PolarHBondContact O-N 3.34Å; R97-M100 HydrophobicContact CB-CE 4.37Å; R97-M100 HydrophobicContact CG-CE 3.92Å; R97-M100 PolarHBondContact O-N 3.18Å; M100-C115 PolarHBondContact O-SG 3.32Å; M100-R117 WeakPolarHBondContact O-CB 3.42Å; M100-R117 WeakPolarHBondContact O-CD 3.43Å; M100-R117 WeakPolarHBondContact O-CG 3.36Å; M100-R117 PolarHBondContact O-N 3.44Å; M100-R117 VanDerWaalsContact O-N 3.08Å; M100-T129 VanDerWaalsContact CG-OG1 3.26Å; M100-T129 WeakPolarHBondContact CG-OG1 3.38Å; M100-T129 PolarHBondContact SD-OG1 2.77Å; M100-T129 VanDerWaalsContact SD-OG1 3.4Å
101G98.4Very high97.9Very high11 Ų1163.4 Ų63.411%0.11329%0.292CS..  trans75.9-172.4-173.500000113.9R97 D98 L99 R117R97-G101 PolarHBondContact O-N 3.17Å; D98-G101 PolarHBondContact O-N 3.47Å; L99-G101 VanDerWaalsContact C-N 3.35Å; G101-R117 WeakPolarHBondContact O-CD 3.39Å; G101-R117 PolarHBondContact O-NH1 2.82Å
102P97.6Very high98Very high29 Ų2963 Ų6319%0.18829%0.293CS..  trans-55.8144.6-175.1-25.833.1000114K104 Q107 A108 R117P102-K104 VanDerWaalsContact C-N 3.28Å; P102-K104 PolarHBondContact O-N 3.34Å; P102-Q107 HydrophobicContact CB-CB 4.26Å; P102-Q107 HydrophobicContact CB-CG 4.08Å; P102-Q107 HydrophobicContact CG-CG 4.28Å; P102-A108 HydrophobicContact CB-CB 4.24Å; P102-A108 HydrophobicContact CG-CB 4.28Å; P102-R117 WeakPolarHBondContact O-CD 3.34Å
103T95.3Very high97.9Very high78 Ų7867.3 Ų67.348%0.47932%0.321SS..SBendtrans-59.1-39-179.7-57.30000112.7N127T103-N127 PolarHBondContact O-ND2 3.19Å; T103-N127 VanDerWaalsContact O-ND2 3.07Å
104K96.9Very high97.9Very high98 Ų9871 Ų7143%0.42635%0.353SS..SBendtrans-81.2117.8178.8-64.5-177172.3-175.40109.6P102 F106 Q107 A108 D124P102-K104 VanDerWaalsContact C-N 3.28Å; P102-K104 PolarHBondContact O-N 3.34Å; K104-F106 VanDerWaalsContact C-N 3.31Å; K104-F106 HydrophobicContact CB-CD1 4.07Å; K104-F106 HydrophobicContact CB-CE1 3.86Å; K104-F106 HydrophobicContact CD-CE1 3.75Å; K104-F106 HydrophobicContact CD-CZ 4.14Å; K104-F106 HydrophobicContact CG-CE1 4.33Å; K104-F106 PolarHBondContact O-N 3.07Å; K104-Q107 HydrophobicContact CB-CB 4.03Å; K104-Q107 WeakPolarHBondContact O-CB 3.47Å; K104-Q107 PolarHBondContact O-N 3.11Å; K104-A108 PolarHBondContact O-N 2.79Å; K104-D124 WeakPolarHBondContact CA-OD1 3.46Å
105V97.2Very high97.9Very high4 Ų464.3 Ų64.32%0.02433%0.329CS..Hα-helixtrans-61.1-39.7-172.7172.10000112Q107 A108 R109 G121 T123 N127V105-Q107 VanDerWaalsContact C-N 3.31Å; V105-Q107 PolarHBondContact O-N 2.86Å; V105-A108 WeakPolarHBondContact O-CB 3.43Å; V105-A108 PolarHBondContact O-N 2.93Å; V105-R109 WeakPolarHBondContact O-CG 3.41Å; V105-R109 PolarHBondContact O-N 2.96Å; V105-G121 WeakPolarHBondContact CG1-O 3.29Å; V105-T123 WeakPolarHBondContact CG2-O 3.5Å; V105-N127 HydrophobicContact CG2-CB 3.95Å
106F97.4Very high97.9Very high131 Ų13162.8 Ų62.858%0.57532%0.322SS*.Hα-helixtrans-62.9-39.9177.381.2-95.4000111.7K104 R109 Y110K104-F106 VanDerWaalsContact C-N 3.31Å; K104-F106 HydrophobicContact CB-CD1 4.07Å; K104-F106 HydrophobicContact CB-CE1 3.86Å; K104-F106 HydrophobicContact CD-CE1 3.75Å; K104-F106 HydrophobicContact CD-CZ 4.14Å; K104-F106 HydrophobicContact CG-CE1 4.33Å; K104-F106 PolarHBondContact O-N 3.07Å; F106-R109 PolarHBondContact O-N 3.43Å; F106-Y110 PolarHBondContact O-N 3.42Å; F106-Y110 VanDerWaalsContact O-N 3.12Å
107Q98.1Very high97.9Very high85 Ų8563.7 Ų63.740%0.39733%0.325SS..Hα-helixtrans-66.9-43.6177.9-176-177.92.700109.8P102 K104 V105 R109 Y110 T111P102-Q107 HydrophobicContact CB-CB 4.26Å; P102-Q107 HydrophobicContact CB-CG 4.08Å; P102-Q107 HydrophobicContact CG-CG 4.28Å; K104-Q107 HydrophobicContact CB-CB 4.03Å; K104-Q107 WeakPolarHBondContact O-CB 3.47Å; K104-Q107 PolarHBondContact O-N 3.11Å; V105-Q107 VanDerWaalsContact C-N 3.31Å; V105-Q107 PolarHBondContact O-N 2.86Å; Q107-R109 VanDerWaalsContact C-N 3.34Å; Q107-R109 PolarHBondContact O-N 2.77Å; Q107-Y110 PolarHBondContact O-N 2.86Å; Q107-Y110 VanDerWaalsContact O-N 3.1Å; Q107-T111 HydrophobicContact CG-CG2 4.18Å; Q107-T111 PolarHBondContact O-N 3.42Å; Q107-T111 PolarHBondContact O-OG1 2.93Å; Q107-T111 VanDerWaalsContact O-OG1 3.06Å
108A98.1Very high97.8Very high0 Ų059.2 Ų59.20%031%0.31CS..Hα-helixtrans-56.8-46.5175.600000112P102 K104 V105 Y110 S112 R117 A118P102-A108 HydrophobicContact CB-CB 4.24Å; P102-A108 HydrophobicContact CG-CB 4.28Å; K104-A108 PolarHBondContact O-N 2.79Å; V105-A108 WeakPolarHBondContact O-CB 3.43Å; V105-A108 PolarHBondContact O-N 2.93Å; A108-Y110 VanDerWaalsContact C-N 3.26Å; A108-Y110 PolarHBondContact O-N 3.08Å; A108-S112 CarbonylContact O-C 3.56Å; A108-S112 WeakPolarHBondContact O-CA 3.41Å; A108-S112 PolarHBondContact O-N 3.29Å; A108-R117 HydrophobicContact CB-CB 4.1Å; A108-A118 HydrophobicContact CB-CB 4.08Å
109R98.1Very high97.8Very high130 Ų13061.4 Ų61.449%0.49131%0.311SS..Hα-helixtrans-60.5-35.2176-70.8175.1-174.5152.62.8112.8V105 F106 Q107 A118 G121V105-R109 WeakPolarHBondContact O-CG 3.41Å; V105-R109 PolarHBondContact O-N 2.96Å; F106-R109 PolarHBondContact O-N 3.43Å; Q107-R109 VanDerWaalsContact C-N 3.34Å; Q107-R109 PolarHBondContact O-N 2.77Å; R109-A118 HydrophobicContact CG-CB 4.05Å; R109-A118 WeakPolarHBondContact CG-O 3.29Å; R109-A118 PolarHBondContact NE-O 2.74Å; R109-G121 PolarHBondContact NH2-O 3.36Å
110Y97.9Very high97.8Very high205 Ų20561.7 Ų61.780%0.80431%0.311SS*.Hα-helixtrans-78.4-46.5-179.4-175.3-101.2000112.9F106 Q107 A108F106-Y110 PolarHBondContact O-N 3.42Å; F106-Y110 VanDerWaalsContact O-N 3.12Å; Q107-Y110 PolarHBondContact O-N 2.86Å; Q107-Y110 VanDerWaalsContact O-N 3.1Å; A108-Y110 VanDerWaalsContact C-N 3.26Å; A108-Y110 PolarHBondContact O-N 3.08Å
111T97.9Very high97.8Very high72 Ų7261.8 Ų61.844%0.44231%0.311SS..Hα-helixtrans-94.3-24-171.964.40000113.8Q107Q107-T111 HydrophobicContact CG-CG2 4.18Å; Q107-T111 PolarHBondContact O-N 3.42Å; Q107-T111 PolarHBondContact O-OG1 2.93Å; Q107-T111 VanDerWaalsContact O-OG1 3.06Å
112S97.4Very high97.7Very high46 Ų4666.4 Ų66.432%0.32233%0.333SS..  trans-151.360.9-169.1-50.20000111.2A108 A114 C115 A118A108-S112 CarbonylContact O-C 3.56Å; A108-S112 WeakPolarHBondContact O-CA 3.41Å; A108-S112 PolarHBondContact O-N 3.29Å; S112-A114 PolarHBondContact O-N 3.43Å; S112-C115 WeakPolarHBondContact O-CB 3.07Å; S112-C115 PolarHBondContact O-N 3.05Å; S112-C115 PolarHBondContact O-SG 3.07Å; S112-A118 WeakPolarHBondContact O-CB 3.19Å
113P97.4Very high97.5Very high91 Ų9168 Ų6859%0.59134%0.343SS*.THydrogen-bonded Turntrans-60.2-21-168.723.2-34.8000114.9A118P113-A118 WeakPolarHBondContact O-CB 3.46Å
114A97.3Very high97.3Very high86 Ų8668 Ų6871%0.71134%0.339SS*.THydrogen-bonded Turntrans-82.4-13.5177.300000114.1S112 R119S112-A114 PolarHBondContact O-N 3.43Å; A114-R119 WeakPolarHBondContact O-CD 3.45Å
115C98.6Very high97.1Very high11 Ų1164.2 Ų64.27%0.07432%0.324CS..SBendtrans-71.2160.7-17686.60000112L99 M100 S112 R117 A118 R119L99-C115 WeakPolarHBondContact O-CB 3.3Å; M100-C115 PolarHBondContact O-SG 3.32Å; S112-C115 WeakPolarHBondContact O-CB 3.07Å; S112-C115 PolarHBondContact O-N 3.05Å; S112-C115 PolarHBondContact O-SG 3.07Å; C115-R117 VanDerWaalsContact C-N 3.35Å; C115-R117 PolarHBondContact O-N 3.42Å; C115-A118 PolarHBondContact O-N 3.3Å; C115-A118 PolarHBondContact SG-N 2.76Å; C115-A118 VanDerWaalsContact SG-N 3.38Å; C115-R119 WeakPolarHBondContact O-CG 3.41Å; C115-R119 PolarHBondContact O-N 2.77Å; C115-R119 VanDerWaalsContact O-N 3.1Å
116I98.6Very high97.1Very high5 Ų570.1 Ų70.13%0.02635%0.346CS..Hα-helixtrans-57.4-47-175.5-65.9166.3000111.2I33 T36 W96 L99 A118 R119 F120 T128 T129I33-I116 HydrophobicContact CD1-CG2 4.22Å; I33-I116 HydrophobicContact CG1-CG2 4.07Å; I33-I116 HydrophobicContact CG2-CD1 4.09Å; T36-I116 HydrophobicContact CG2-CD1 4.26Å; T36-I116 HydrophobicContact CG2-CG1 4.4Å; W96-I116 HydrophobicContact CH2-CD1 3.66Å; W96-I116 HydrophobicContact CZ3-CD1 3.72Å; L99-I116 HydrophobicContact CB-CD1 4.31Å; L99-I116 WeakPolarHBondContact O-CG1 3.38Å; L99-I116 PolarHBondContact O-N 2.82Å; I116-A118 VanDerWaalsContact C-N 3.33Å; I116-A118 PolarHBondContact O-N 2.97Å; I116-R119 PolarHBondContact O-N 3.23Å; I116-F120 HydrophobicContact CG2-CD2 4.13Å; I116-F120 WeakPolarHBondContact O-CD2 3.39Å; I116-F120 PolarHBondContact O-N 3.06Å; I116-T128 HydrophobicContact CG2-CG2 3.87Å; I116-T129 HydrophobicContact CG2-CG2 3.76Å
117R98.6Very high97Very high19 Ų1964 Ų647%0.07232%0.32CS..Hα-helixtrans-66.2-33.7-179.1-71174.8179.1164.3-5113.1M100 G101 P102 A108 C115 G121 N127 T129M100-R117 WeakPolarHBondContact O-CB 3.42Å; M100-R117 WeakPolarHBondContact O-CD 3.43Å; M100-R117 WeakPolarHBondContact O-CG 3.36Å; M100-R117 PolarHBondContact O-N 3.44Å; M100-R117 VanDerWaalsContact O-N 3.08Å; G101-R117 WeakPolarHBondContact O-CD 3.39Å; G101-R117 PolarHBondContact O-NH1 2.82Å; P102-R117 WeakPolarHBondContact O-CD 3.34Å; A108-R117 HydrophobicContact CB-CB 4.1Å; C115-R117 VanDerWaalsContact C-N 3.35Å; C115-R117 PolarHBondContact O-N 3.42Å; R117-G121 VanDerWaalsContact O-CA 3.25Å; R117-G121 WeakPolarHBondContact O-CA 3.42Å; R117-G121 PolarHBondContact O-N 2.91Å; R117-N127 HydrophobicContact CG-CB 4.15Å; R117-N127 VanDerWaalsContact CG-O 3.3Å; R117-N127 WeakPolarHBondContact CG-O 3.49Å; R117-T129 PolarHBondContact NH2-O 2.83Å
118A98.4Very high97Very high8 Ų860 Ų607%0.06630%0.301CS..Hα-helixtrans-66.8-44.7176.200000111.3A108 R109 S112 P113 C115 I116A108-A118 HydrophobicContact CB-CB 4.08Å; R109-A118 HydrophobicContact CG-CB 4.05Å; R109-A118 WeakPolarHBondContact CG-O 3.29Å; R109-A118 PolarHBondContact NE-O 2.74Å; S112-A118 WeakPolarHBondContact O-CB 3.19Å; P113-A118 WeakPolarHBondContact O-CB 3.46Å; C115-A118 PolarHBondContact O-N 3.3Å; C115-A118 PolarHBondContact SG-N 2.76Å; C115-A118 VanDerWaalsContact SG-N 3.38Å; I116-A118 VanDerWaalsContact C-N 3.33Å; I116-A118 PolarHBondContact O-N 2.97Å
119R98.1Very high97Very high149 Ų14960 Ų6056%0.56230%0.301SS*.Hα-helixtrans-73.3-40.7-176-67.3179.967.6-1741113.4A114 C115 I116A114-R119 WeakPolarHBondContact O-CD 3.45Å; C115-R119 WeakPolarHBondContact O-CG 3.41Å; C115-R119 PolarHBondContact O-N 2.77Å; C115-R119 VanDerWaalsContact O-N 3.1Å; I116-R119 PolarHBondContact O-N 3.23Å
120F98.3Very high97Very high38 Ų3855.3 Ų55.317%0.16729%0.285CS..Hα-helixtrans-123.7-13-167.6-51.6-60.6000114.5I29 A32 I33 I116 T128I29-F120 HydrophobicContact CD1-CD1 4.22Å; I29-F120 HydrophobicContact CG1-CD1 4.02Å; I29-F120 HydrophobicContact CG1-CE1 4.42Å; I29-F120 HydrophobicContact CG2-CB 3.95Å; I29-F120 HydrophobicContact CG2-CD1 4.01Å; I29-F120 HydrophobicContact CG2-CD2 4.29Å; I29-F120 HydrophobicContact CG2-CG 3.83Å; A32-F120 HydrophobicContact CB-CE2 4.43Å; A32-F120 HydrophobicContact CB-CZ 3.93Å; I33-F120 HydrophobicContact CG1-CD2 4.27Å; I33-F120 HydrophobicContact CG1-CE2 4.34Å; I116-F120 HydrophobicContact CG2-CD2 4.13Å; I116-F120 WeakPolarHBondContact O-CD2 3.39Å; I116-F120 PolarHBondContact O-N 3.06Å; F120-T128 VanDerWaalsContact C-OG1 3.24Å; F120-T128 HydrophobicContact CB-CG2 3.9Å; F120-T128 PolarHBondContact O-OG1 3.44Å
121G97.6Very high97Very high1 Ų145.8 Ų45.81%0.0125%0.249CC..  trans-67.8142-179.500000112V105 R109 R117 T128V105-G121 WeakPolarHBondContact CG1-O 3.29Å; R109-G121 PolarHBondContact NH2-O 3.36Å; R117-G121 VanDerWaalsContact O-CA 3.25Å; R117-G121 WeakPolarHBondContact O-CA 3.42Å; R117-G121 PolarHBondContact O-N 2.91Å; G121-T128 WeakPolarHBondContact CA-OG1 3.45Å; G121-T128 PolarHBondContact N-OG1 3.35Å
122L96.1Very high97Very high109 Ų10942.4 Ų42.457%0.57123%0.228SC*.  trans-101.5-48.4177.6-59178.1000111.3R126L122-R126 HydrophobicContact CB-CB 4.17Å; L122-R126 PolarHBondContact N-O 3.35Å
123T94.8Very high96.9Very high63 Ų6345.1 Ų45.139%0.38724%0.239SC..SBendtrans-146.2174.4-178.2700000110.7V105 T125 R126 N127V105-T123 WeakPolarHBondContact CG2-O 3.5Å; T123-T125 PolarHBondContact O-N 2.96Å; T123-R126 PolarHBondContact N-O 3.02Å; T123-R126 VanDerWaalsContact N-O 3.07Å; T123-R126 CarbonylContact O-C 3.59Å; T123-R126 PolarHBondContact O-N 3.01Å; T123-R126 VanDerWaalsContact O-O 3.1Å; T123-R126 PolarHBondContact OG1-N 2.84Å; T123-R126 VanDerWaalsContact OG1-N 3.13Å; T123-N127 WeakPolarHBondContact O-CB 3.45Å; T123-N127 PolarHBondContact O-N 3.31Å
124D91.3Very high96.9Very high77 Ų7742.1 Ų42.141%0.41222%0.22SC..SBendtrans-58.1-32.9178.3-66.51.1000113.2K104 N127K104-D124 WeakPolarHBondContact CA-OD1 3.46Å; D124-N127 PolarHBondContact O-ND2 2.84Å
125T92.3Very high96.9Very high18 Ų1841.1 Ų41.111%0.1121%0.206CC..SBendtrans-85.9-42.1176.1-48.80000111.7R72 L73 F76 T123 N127R72-T125 HydrophobicContact CG-CG2 4.2Å; L73-T125 HydrophobicContact CB-CG2 4.43Å; L73-T125 HydrophobicContact CD1-CG2 4.24Å; F76-T125 HydrophobicContact CB-CG2 4.3Å; F76-T125 HydrophobicContact CD1-CG2 3.87Å; F76-T125 WeakPolarHBondContact CE1-O 3.39Å; F76-T125 HydrophobicContact CG-CG2 4.4Å; T123-T125 PolarHBondContact O-N 2.96Å; T125-N127 VanDerWaalsContact C-N 3.35Å; T125-N127 PolarHBondContact O-N 2.85Å
126R96.1Very high96.8Very high128 Ų12846.2 Ų46.248%0.48323%0.229SC..  trans-95.265.9177.3-60.9-172.7-178.3127.2-0.1110D22 F76 L122 T123D22-R126 HydrophobicContact CB-CB 4.4Å; F76-R126 HydrophobicContact CD1-CG 4.34Å; F76-R126 HydrophobicContact CD2-CG 4.01Å; F76-R126 HydrophobicContact CE1-CB 4.46Å; F76-R126 HydrophobicContact CE1-CG 4.08Å; F76-R126 HydrophobicContact CE2-CG 3.78Å; F76-R126 HydrophobicContact CG-CG 4.29Å; F76-R126 HydrophobicContact CZ-CB 4.19Å; F76-R126 HydrophobicContact CZ-CG 3.81Å; L122-R126 HydrophobicContact CB-CB 4.17Å; L122-R126 PolarHBondContact N-O 3.35Å; T123-R126 PolarHBondContact N-O 3.02Å; T123-R126 VanDerWaalsContact N-O 3.07Å; T123-R126 CarbonylContact O-C 3.59Å; T123-R126 PolarHBondContact O-N 3.01Å; T123-R126 VanDerWaalsContact O-O 3.1Å; T123-R126 PolarHBondContact OG1-N 2.84Å; T123-R126 VanDerWaalsContact OG1-N 3.13Å
127N97.3Very high96.7Very high3 Ų346 Ų462%0.01623%0.228CC..  trans-108.731.6-178.465.8-0.1000111.6K20 T103 V105 R117 T123 D124 T125 T129K20-N127 PolarHBondContact NZ-OD1 3.39Å; T103-N127 PolarHBondContact O-ND2 3.19Å; T103-N127 VanDerWaalsContact O-ND2 3.07Å; V105-N127 HydrophobicContact CG2-CB 3.95Å; R117-N127 HydrophobicContact CG-CB 4.15Å; R117-N127 VanDerWaalsContact CG-O 3.3Å; R117-N127 WeakPolarHBondContact CG-O 3.49Å; T123-N127 WeakPolarHBondContact O-CB 3.45Å; T123-N127 PolarHBondContact O-N 3.31Å; D124-N127 PolarHBondContact O-ND2 2.84Å; T125-N127 VanDerWaalsContact C-N 3.35Å; T125-N127 PolarHBondContact O-N 2.85Å; N127-T129 PolarHBondContact O-N 2.8Å
128T97.4Very high96.7Very high1 Ų145.2 Ų45.21%0.00623%0.226CC..SBendtrans72.7-44165.5-42.10000116.2K20 D22 A23 I29 I33 I116 F120 G121K20-T128 WeakPolarHBondContact CB-O 3.22Å; K20-T128 PolarHBondContact N-O 3.45Å; D22-T128 WeakPolarHBondContact OD2-CA 3.42Å; D22-T128 PolarHBondContact OD2-N 3.49Å; A23-T128 HydrophobicContact CB-CG2 3.49Å; A23-T128 VanDerWaalsContact CB-CG2 3.49Å; I29-T128 HydrophobicContact CG2-CG2 4.34Å; I33-T128 HydrophobicContact CD1-CG2 3.32Å; I33-T128 HydrophobicContact CG1-CG2 4.46Å; I116-T128 HydrophobicContact CG2-CG2 3.87Å; F120-T128 VanDerWaalsContact C-OG1 3.24Å; F120-T128 HydrophobicContact CB-CG2 3.9Å; F120-T128 PolarHBondContact O-OG1 3.44Å; G121-T128 WeakPolarHBondContact CA-OG1 3.45Å; G121-T128 PolarHBondContact N-OG1 3.35Å
129T98.2Very high96.7Very high0 Ų048.3 Ų48.30%024%0.239CC..EExtended strand (participates in β ladder)trans-141149.2-170.557.70000114.4V18 I19 K20 I33 W96 M100 I116 R117 N127V18-T129 CarbonylContact O-C 3.6Å; V18-T129 WeakPolarHBondContact O-CA 3.21Å; I19-T129 HydrophobicContact CD1-CG2 3.67Å; K20-T129 WeakPolarHBondContact CE-O 3.4Å; I33-T129 HydrophobicContact CD1-CG2 4.34Å; I33-T129 HydrophobicContact CG2-CG2 4.37Å; W96-T129 HydrophobicContact CH2-CG2 4.35Å; W96-T129 HydrophobicContact CZ2-CG2 4.14Å; M100-T129 VanDerWaalsContact CG-OG1 3.26Å; M100-T129 WeakPolarHBondContact CG-OG1 3.38Å; M100-T129 PolarHBondContact SD-OG1 2.77Å; M100-T129 VanDerWaalsContact SD-OG1 3.4Å; I116-T129 HydrophobicContact CG2-CG2 3.76Å; R117-T129 PolarHBondContact NH2-O 2.83Å; N127-T129 PolarHBondContact O-N 2.8Å
130H97.9Very high96.6Very high32 Ų3247.6 Ų47.615%0.14824%0.236CC..EExtended strand (participates in β ladder)trans-117.1153.6166170.385.6000109.8V18 F60 W96 E141V18-H130 HydrophobicContact CB-CB 4.14Å; V18-H130 PolarHBondContact N-O 2.88Å; V18-H130 PolarHBondContact O-N 3.09Å; F60-H130 AromaticContact CZ-NE2 3.92Å; W96-H130 PolarHBondContact NE1-O 3.4Å; H130-E141 IonicContact CD2-OE2 3.59Å; H130-E141 IonicContact CE1-OE2 3.61Å; H130-E141 IonicContact NE2-OE1 3.65Å; H130-E141 IonicContact NE2-OE2 2.63Å; H130-E141 PolarHBondContact NE2-OE2 3.28Å
131G97.6Very high96.6Very high5 Ų547 Ų475%0.05223%0.234CC..EExtended strand (participates in β ladder)trans-161.9152.1169.400000111.2L16L16-G131 WeakPolarHBondContact O-CA 3.28Å
132S97.9Very high96.7Very high0 Ų047 Ų470%023%0.233CC..  trans-57150.8-177.6-49.50000111.8L16 R97 S137 A138 E141L16-S132 WeakPolarHBondContact CB-OG 3.29Å; L16-S132 PolarHBondContact N-OG 2.86Å; L16-S132 PolarHBondContact O-N 3.46Å; R97-S132 WeakPolarHBondContact CD-O 3.35Å; S132-S137 WeakPolarHBondContact CA-OG 3.1Å; S132-S137 VanDerWaalsContact CB-OG 3.29Å; S132-S137 WeakPolarHBondContact CB-OG 3.42Å; S132-A138 VanDerWaalsContact OG-CA 3.28Å; S132-A138 WeakPolarHBondContact OG-CA 3.27Å; S132-E141 WeakPolarHBondContact CA-OE2 3.19Å; S132-E141 PolarHBondContact OG-OE2 2.74Å
133D95.5Very high96.7Very high104 Ų10444.5 Ų44.556%0.55623%0.225SC*.SBendtrans-98-16.8-178.667.311.8000113.9S137D133-S137 PolarHBondContact N-OG 3.02Å; D133-S137 WeakPolarHBondContact OD1-CB 3.28Å; D133-S137 PolarHBondContact OD1-OG 3.19Å
134S97.5Very high96.8Very high28 Ų2845 Ų4520%0.19622%0.222CC..SBendtrans-151.8161.2-174.853.40000110.4E136 S137 A138S134-E136 WeakPolarHBondContact CB-OE2 3.38Å; S134-E136 PolarHBondContact O-N 3.05Å; S134-S137 PolarHBondContact O-N 3.03Å; S134-S137 WeakPolarHBondContact OG-CB 3.41Å; S134-S137 PolarHBondContact OG-N 3.49Å; S134-S137 VanDerWaalsContact OG-N 3.09Å; S134-A138 WeakPolarHBondContact O-CB 3.45Å; S134-A138 PolarHBondContact O-N 2.71Å
135P96.8Very high97.1Very high64 Ų6441.4 Ų41.442%0.41620%0.203SC..Hα-helixtrans-55.4-38.7170.6-21.430.8000112.4A138 Q139P135-A138 WeakPolarHBondContact O-CB 3.41Å; P135-A138 PolarHBondContact O-N 2.97Å; P135-Q139 PolarHBondContact O-N 3.34Å
136E97Very high97.4Very high118 Ų11840.9 Ų40.955%0.55120%0.199SC*.Hα-helixtrans-69.4-43.5-178.9-61.970.2-152.900110.8S134 A138 Q139 R140S134-E136 WeakPolarHBondContact CB-OE2 3.38Å; S134-E136 PolarHBondContact O-N 3.05Å; E136-A138 VanDerWaalsContact C-N 3.32Å; E136-Q139 PolarHBondContact O-N 3.22Å; E136-R140 WeakPolarHBondContact O-CG 3.46Å; E136-R140 PolarHBondContact O-N 3.31Å; E136-R140 PolarHBondContact O-NH1 3.18Å
137S96.9Very high97.4Very high2 Ų240 Ų401%0.01421%0.21CC..Hα-helixtrans-65.9-37.8174.2101.90000110.9S132 D133 S134 Q139 R140 E141S132-S137 WeakPolarHBondContact CA-OG 3.1Å; S132-S137 VanDerWaalsContact CB-OG 3.29Å; S132-S137 WeakPolarHBondContact CB-OG 3.42Å; D133-S137 PolarHBondContact N-OG 3.02Å; D133-S137 WeakPolarHBondContact OD1-CB 3.28Å; D133-S137 PolarHBondContact OD1-OG 3.19Å; S134-S137 PolarHBondContact O-N 3.03Å; S134-S137 WeakPolarHBondContact OG-CB 3.41Å; S134-S137 PolarHBondContact OG-N 3.49Å; S134-S137 VanDerWaalsContact OG-N 3.09Å; S137-Q139 PolarHBondContact O-N 2.55Å; S137-R140 PolarHBondContact O-N 3.07Å; S137-E141 WeakPolarHBondContact CB-OE1 3.48Å; S137-E141 VanDerWaalsContact O-CB 3.25Å; S137-E141 WeakPolarHBondContact O-CB 3.41Å; S137-E141 WeakPolarHBondContact O-CG 3.33Å; S137-E141 PolarHBondContact O-N 3.09Å; S137-E141 PolarHBondContact OG-OE1 3.28Å
138A98.1Very high97.3Very high2 Ų246.1 Ų46.12%0.01724%0.242CC..Hα-helixtrans-57.6-46175.200000112.1V93 S132 S134 P135 E136 R140 E141 I142V93-A138 HydrophobicContact CG2-CB 4.29Å; S132-A138 VanDerWaalsContact OG-CA 3.28Å; S132-A138 WeakPolarHBondContact OG-CA 3.27Å; S134-A138 WeakPolarHBondContact O-CB 3.45Å; S134-A138 PolarHBondContact O-N 2.71Å; P135-A138 WeakPolarHBondContact O-CB 3.41Å; P135-A138 PolarHBondContact O-N 2.97Å; E136-A138 VanDerWaalsContact C-N 3.32Å; A138-R140 PolarHBondContact O-N 3.2Å; A138-E141 PolarHBondContact O-N 2.96Å; A138-I142 HydrophobicContact CB-CD1 4.44Å; A138-I142 WeakPolarHBondContact O-CB 2.96Å; A138-I142 WeakPolarHBondContact O-CD1 3.21Å; A138-I142 WeakPolarHBondContact O-CG1 3.48Å; A138-I142 PolarHBondContact O-N 2.85Å
139Q97.6Very high97.3Very high73 Ų7346.5 Ų46.534%0.34124%0.244SC..Hα-helixtrans-61.1-44.5177.7-175.2174.59.800112.4P135 E136 S137 S143 V151 E152P135-Q139 PolarHBondContact O-N 3.34Å; E136-Q139 PolarHBondContact O-N 3.22Å; S137-Q139 PolarHBondContact O-N 2.55Å; Q139-S143 WeakPolarHBondContact O-CB 3.39Å; Q139-S143 PolarHBondContact O-N 2.9Å; Q139-S143 VanDerWaalsContact O-N 3.09Å; Q139-S143 PolarHBondContact O-OG 3.15Å; Q139-V151 HydrophobicContact CB-CG1 4.46Å; Q139-V151 HydrophobicContact CG-CB 4.15Å; Q139-V151 HydrophobicContact CG-CG1 4.17Å; Q139-V151 HydrophobicContact CG-CG2 4.33Å; Q139-E152 PolarHBondContact NE2-OE1 3.42Å
140R97.3Very high97.3Very high134 Ų13450.6 Ų50.651%0.50627%0.266SS..Hα-helixtrans-65.6-48.9178.9-66.4-168.1-53.2-79.47.7111.6E136 S137 A138 S143 F144E136-R140 WeakPolarHBondContact O-CG 3.46Å; E136-R140 PolarHBondContact O-N 3.31Å; E136-R140 PolarHBondContact O-NH1 3.18Å; S137-R140 PolarHBondContact O-N 3.07Å; A138-R140 PolarHBondContact O-N 3.2Å; R140-S143 PolarHBondContact O-N 2.81Å; R140-F144 PolarHBondContact O-N 2.95Å
141E97.9Very high97.3Very high26 Ų2649.6 Ų49.612%0.12126%0.262CS..Hα-helixtrans-67.3-41.7-177.5-67.2171.5-147.500111.5L16 F60 H130 S132 S137 A138 S143 F144 F145L16-E141 HydrophobicContact CB-CB 4.25Å; L16-E141 HydrophobicContact CD2-CB 3.65Å; F60-E141 HydrophobicContact CE2-CB 4.12Å; F60-E141 HydrophobicContact CE2-CG 3.85Å; F60-E141 HydrophobicContact CZ-CB 4.38Å; F60-E141 HydrophobicContact CZ-CG 3.89Å; H130-E141 IonicContact CD2-OE2 3.59Å; H130-E141 IonicContact CE1-OE2 3.61Å; H130-E141 IonicContact NE2-OE1 3.65Å; H130-E141 IonicContact NE2-OE2 2.63Å; H130-E141 PolarHBondContact NE2-OE2 3.28Å; S132-E141 WeakPolarHBondContact CA-OE2 3.19Å; S132-E141 PolarHBondContact OG-OE2 2.74Å; S137-E141 WeakPolarHBondContact CB-OE1 3.48Å; S137-E141 VanDerWaalsContact O-CB 3.25Å; S137-E141 WeakPolarHBondContact O-CB 3.41Å; S137-E141 WeakPolarHBondContact O-CG 3.33Å; S137-E141 PolarHBondContact O-N 3.09Å; S137-E141 PolarHBondContact OG-OE1 3.28Å; A138-E141 PolarHBondContact O-N 2.96Å; E141-S143 PolarHBondContact O-N 3.22Å; E141-F144 WeakPolarHBondContact O-CB 3.32Å; E141-F144 PolarHBondContact O-N 3.13Å; E141-F145 WeakPolarHBondContact O-CD2 3.25Å; E141-F145 PolarHBondContact O-N 3.22Å
142I98.6Very high97.2Very high0 Ų055.2 Ų55.20%029%0.287CS..Hα-helixtrans-60.2-46.5173.8-70.3165.9000110.1L14 L16 V86 A138 F144 F145 F146 F149 V151L14-I142 HydrophobicContact CB-CD1 3.93Å; L16-I142 HydrophobicContact CB-CG1 4.03Å; L16-I142 HydrophobicContact CD1-CG1 4.42Å; V86-I142 HydrophobicContact CG1-CD1 4.07Å; V86-I142 HydrophobicContact CG2-CG1 4.24Å; V86-I142 HydrophobicContact CG2-CG2 3.77Å; A138-I142 HydrophobicContact CB-CD1 4.44Å; A138-I142 WeakPolarHBondContact O-CB 2.96Å; A138-I142 WeakPolarHBondContact O-CD1 3.21Å; A138-I142 WeakPolarHBondContact O-CG1 3.48Å; A138-I142 PolarHBondContact O-N 2.85Å; I142-F144 PolarHBondContact O-N 2.99Å; I142-F145 PolarHBondContact O-N 3.26Å; I142-F146 WeakPolarHBondContact O-CA 3.33Å; I142-F146 PolarHBondContact O-N 3.43Å; I142-F149 HydrophobicContact CG2-CD1 3.55Å; I142-F149 HydrophobicContact CG2-CE1 4.04Å; I142-V151 HydrophobicContact CB-CG2 4.02Å; I142-V151 HydrophobicContact CD1-CG2 4.26Å; I142-V151 HydrophobicContact CG2-CG2 3.67Å
143S97.5Very high97.2Very high57 Ų5759.6 Ų59.640%0.39931%0.308SS..Hα-helixtrans-61.6-33.6177.8-56.70000112.5Q139 R140 E141 P147Q139-S143 WeakPolarHBondContact O-CB 3.39Å; Q139-S143 PolarHBondContact O-N 2.9Å; Q139-S143 VanDerWaalsContact O-N 3.09Å; Q139-S143 PolarHBondContact O-OG 3.15Å; R140-S143 PolarHBondContact O-N 2.81Å; E141-S143 PolarHBondContact O-N 3.22Å; S143-P147 WeakPolarHBondContact O-CA 3.41Å
144F96.5Very high97.2Very high73 Ų7354.7 Ų54.732%0.3228%0.281SS..Hα-helixtrans-68.6-44.7175.6-170.8-82.1000111.9W52 R59 F60 R140 E141 I142W52-F144 HydrophobicContact CH2-CD1 4.31Å; W52-F144 AromaticContact CH2-CE1 3.91Å; W52-F144 HydrophobicContact CH2-CE1 3.91Å; W52-F144 AromaticContact CZ2-CD1 3.87Å; W52-F144 HydrophobicContact CZ2-CD1 3.87Å; W52-F144 AromaticContact CZ2-CE1 3.5Å; W52-F144 HydrophobicContact CZ2-CE1 3.5Å; W52-F144 VanDerWaalsContact CZ2-CE1 3.5Å; R59-F144 HydrophobicContact CB-CE2 4.03Å; R59-F144 HydrophobicContact CB-CZ 4.03Å; F60-F144 HydrophobicContact CB-CD1 4.43Å; F60-F144 HydrophobicContact CB-CE1 3.82Å; F60-F144 HydrophobicContact CB-CE2 4.45Å; F60-F144 HydrophobicContact CB-CZ 3.82Å; F60-F144 HydrophobicContact CD2-CB 4.43Å; F60-F144 AromaticContact CD2-CD1 3.61Å; F60-F144 HydrophobicContact CD2-CD1 3.61Å; F60-F144 HydrophobicContact CD2-CD2 4.41Å; F60-F144 AromaticContact CD2-CE1 3.88Å; F60-F144 HydrophobicContact CD2-CE1 3.88Å; F60-F144 AromaticContact CD2-CG 3.91Å; F60-F144 HydrophobicContact CD2-CG 3.91Å; F60-F144 HydrophobicContact CD2-CZ 4.38Å; F60-F144 HydrophobicContact CE2-CD1 4.37Å; F60-F144 HydrophobicContact CG-CD1 4.41Å; F60-F144 HydrophobicContact CG-CE1 4.25Å; R140-F144 PolarHBondContact O-N 2.95Å; E141-F144 WeakPolarHBondContact O-CB 3.32Å; E141-F144 PolarHBondContact O-N 3.13Å; I142-F144 PolarHBondContact O-N 2.99Å
145F97.4Very high97.1Very high2 Ų256.6 Ų56.61%0.00929%0.289CS..Hα-helixtrans-79-32.6180-84.6-99.4000112.6L16 V18 K48 L50 W52 F60 M82 A84 E141 I142L16-F145 HydrophobicContact CD1-CB 4.06Å; L16-F145 HydrophobicContact CD1-CD2 4.2Å; L16-F145 HydrophobicContact CD1-CG 4.1Å; L16-F145 HydrophobicContact CD2-CD2 3.42Å; L16-F145 VanDerWaalsContact CD2-CD2 3.42Å; L16-F145 HydrophobicContact CD2-CE2 3.51Å; L16-F145 HydrophobicContact CD2-CG 4.13Å; L16-F145 HydrophobicContact CD2-CZ 4.28Å; L16-F145 HydrophobicContact CG-CD2 4.48Å; V18-F145 HydrophobicContact CG1-CE1 4.31Å; V18-F145 HydrophobicContact CG1-CZ 4.36Å; V18-F145 HydrophobicContact CG2-CE1 3.81Å; V18-F145 HydrophobicContact CG2-CE2 4.09Å; V18-F145 HydrophobicContact CG2-CZ 3.54Å; K48-F145 WeakPolarHBondContact CE-O 3.15Å; K48-F145 PolarHBondContact NZ-O 3.06Å; L50-F145 HydrophobicContact CD1-CD1 3.87Å; L50-F145 HydrophobicContact CD1-CE1 3.93Å; L50-F145 HydrophobicContact CD2-CD1 4.39Å; L50-F145 HydrophobicContact CD2-CE1 4.38Å; W52-F145 HydrophobicContact CH2-CD2 4.29Å; W52-F145 AromaticContact CH2-CE1 3.73Å; W52-F145 HydrophobicContact CH2-CE1 3.73Å; W52-F145 AromaticContact CH2-CE2 3.34Å; W52-F145 HydrophobicContact CH2-CE2 3.34Å; W52-F145 AromaticContact CH2-CZ 3Å; W52-F145 HydrophobicContact CH2-CZ 3Å; W52-F145 AromaticContact CZ2-CD1 3.94Å; W52-F145 HydrophobicContact CZ2-CD1 3.94Å; W52-F145 HydrophobicContact CZ2-CD2 4.06Å; W52-F145 AromaticContact CZ2-CE1 3.35Å; W52-F145 HydrophobicContact CZ2-CE1 3.35Å; W52-F145 AromaticContact CZ2-CE2 3.5Å; W52-F145 HydrophobicContact CZ2-CE2 3.5Å; W52-F145 HydrophobicContact CZ2-CG 4.28Å; W52-F145 AromaticContact CZ2-CZ 3.12Å; W52-F145 HydrophobicContact CZ2-CZ 3.12Å; W52-F145 AromaticContact CZ3-CZ 3.93Å; W52-F145 HydrophobicContact CZ3-CZ 3.93Å; F60-F145 HydrophobicContact CD2-CD2 4.48Å; F60-F145 AromaticContact CD2-CE2 3.92Å; F60-F145 HydrophobicContact CD2-CE2 3.92Å; F60-F145 HydrophobicContact CE1-CE2 4.31Å; F60-F145 HydrophobicContact CE2-CD2 4.03Å; F60-F145 AromaticContact CE2-CE2 3.49Å; F60-F145 HydrophobicContact CE2-CE2 3.49Å; F60-F145 VanDerWaalsContact CE2-CE2 3.49Å; F60-F145 HydrophobicContact CG-CE2 4.5Å; F60-F145 AromaticContact CZ-CE2 3.7Å; F60-F145 HydrophobicContact CZ-CE2 3.7Å; M82-F145 HydrophobicContact SD-CE1 4.11Å; A84-F145 HydrophobicContact CB-CD1 3.53Å; A84-F145 HydrophobicContact CB-CE1 3.97Å; A84-F145 HydrophobicContact CB-CG 4.34Å; E141-F145 WeakPolarHBondContact O-CD2 3.25Å; E141-F145 PolarHBondContact O-N 3.22Å; I142-F145 PolarHBondContact O-N 3.26Å
146F97.8Very high97.1Very high6 Ų661.8 Ų61.83%0.02631%0.305CS..  trans-129.975-174.6-60.6-92.2000108.7L16 R46 K48 A84 V86 I142 D148 F149L16-F146 HydrophobicContact CD1-CD2 4.49Å; L16-F146 HydrophobicContact CD1-CE2 4Å; R46-F146 HydrophobicContact CB-CD1 3.94Å; R46-F146 HydrophobicContact CB-CE1 3.65Å; R46-F146 HydrophobicContact CB-CZ 4.16Å; R46-F146 HydrophobicContact CG-CD1 4.36Å; K48-F146 HydrophobicContact CB-CE1 4.02Å; K48-F146 HydrophobicContact CD-CD1 3.88Å; K48-F146 HydrophobicContact CD-CE1 3.53Å; K48-F146 HydrophobicContact CD-CZ 4.07Å; K48-F146 HydrophobicContact CG-CD1 4.37Å; K48-F146 HydrophobicContact CG-CE1 3.52Å; K48-F146 HydrophobicContact CG-CZ 3.77Å; A84-F146 HydrophobicContact CB-CE2 3.94Å; A84-F146 HydrophobicContact CB-CZ 3.89Å; V86-F146 HydrophobicContact CG2-CD2 3.5Å; V86-F146 VanDerWaalsContact CG2-CD2 3.5Å; V86-F146 HydrophobicContact CG2-CE2 3.57Å; V86-F146 HydrophobicContact CG2-CG 4.03Å; V86-F146 HydrophobicContact CG2-CZ 4.13Å; I142-F146 WeakPolarHBondContact O-CA 3.33Å; I142-F146 PolarHBondContact O-N 3.43Å; F146-D148 PolarHBondContact O-N 3.26Å; F146-D148 VanDerWaalsContact O-N 3.15Å; F146-F149 HydrophobicContact CB-CB 3.65Å; F146-F149 WeakPolarHBondContact O-CB 3.16Å; F146-F149 PolarHBondContact O-N 3.35Å
147P96.3Very high96.9Very high109 Ų10962.5 Ų62.571%0.70831%0.306SS*.THydrogen-bonded Turntrans-65.1-18.9-173.926.9-35.5000113.4S143S143-P147 WeakPolarHBondContact O-CA 3.41Å
148D96.6Very high96.7Very high132 Ų13265.4 Ų65.471%0.70632%0.32SS*.THydrogen-bonded Turntrans-85.2-6173.761.9-46.4000113.4F146F146-D148 PolarHBondContact O-N 3.26Å; F146-D148 VanDerWaalsContact O-N 3.15Å
149F97.6Very high96.6Very high9 Ų965.7 Ų65.74%0.03932%0.321CS..  trans-104.7115.4-178.8-175.2-94.6000111.8L14 V45 R46 V86 I142 F146 V151 W154L14-F149 HydrophobicContact CD1-CE1 3.99Å; L14-F149 HydrophobicContact CD1-CZ 4.18Å; V45-F149 HydrophobicContact CG1-CE2 3.68Å; V45-F149 HydrophobicContact CG1-CZ 3.83Å; R46-F149 HydrophobicContact CG-CD2 3.84Å; R46-F149 HydrophobicContact CG-CE2 4.17Å; R46-F149 HydrophobicContact CG-CG 4.43Å; V86-F149 HydrophobicContact CG1-CE1 4.01Å; V86-F149 HydrophobicContact CG1-CZ 4.13Å; I142-F149 HydrophobicContact CG2-CD1 3.55Å; I142-F149 HydrophobicContact CG2-CE1 4.04Å; F146-F149 HydrophobicContact CB-CB 3.65Å; F146-F149 WeakPolarHBondContact O-CB 3.16Å; F146-F149 PolarHBondContact O-N 3.35Å; F149-V151 HydrophobicContact CD1-CG2 4.08Å; F149-V151 HydrophobicContact CE1-CG2 3.96Å; F149-W154 HydrophobicContact CE1-CB 4.28Å; F149-W154 HydrophobicContact CE2-CB 4.03Å; F149-W154 AromaticContact CE2-CD1 3.52Å; F149-W154 AromaticContact CE2-CG 3.8Å; F149-W154 HydrophobicContact CE2-CG 3.8Å; F149-W154 HydrophobicContact CZ-CB 3.58Å; F149-W154 AromaticContact CZ-CD1 3.65Å; F149-W154 HydrophobicContact CZ-CD2 4.08Å; F149-W154 AromaticContact CZ-CG 3.45Å; F149-W154 HydrophobicContact CZ-CG 3.45Å; F149-W154 VanDerWaalsContact CZ-CG 3.45Å
150N97.6Very high96.3Very high87 Ų8764.7 Ų64.747%0.46532%0.32SS..  trans-95.4108.9175.8-173.8-56.3000111E152 Q153 W154N150-E152 PolarHBondContact O-N 3Å; N150-E152 PolarHBondContact OD1-N 3.44Å; N150-E152 VanDerWaalsContact OD1-N 3.17Å; N150-Q153 HydrophobicContact CB-CB 3.92Å; N150-Q153 PolarHBondContact O-N 3.08Å; N150-Q153 WeakPolarHBondContact OD1-CB 3.41Å; N150-Q153 PolarHBondContact OD1-N 2.98Å; N150-W154 WeakPolarHBondContact O-CB 2.95Å; N150-W154 PolarHBondContact O-N 2.96Å
151V96.8Very high96Very high10 Ų1062.5 Ų62.56%0.06132%0.318CS..Hα-helixtrans-57.1-48.2-178.11710000112.4L14 Q139 I142 F149 W154 L155L14-V151 HydrophobicContact CD1-CG1 3.99Å; Q139-V151 HydrophobicContact CB-CG1 4.46Å; Q139-V151 HydrophobicContact CG-CB 4.15Å; Q139-V151 HydrophobicContact CG-CG1 4.17Å; Q139-V151 HydrophobicContact CG-CG2 4.33Å; I142-V151 HydrophobicContact CB-CG2 4.02Å; I142-V151 HydrophobicContact CD1-CG2 4.26Å; I142-V151 HydrophobicContact CG2-CG2 3.67Å; F149-V151 HydrophobicContact CD1-CG2 4.08Å; F149-V151 HydrophobicContact CE1-CG2 3.96Å; V151-W154 PolarHBondContact O-N 2.94Å; V151-L155 HydrophobicContact CG1-CD1 3.94Å; V151-L155 WeakPolarHBondContact O-CB 3.46Å; V151-L155 VanDerWaalsContact O-CG 3.31Å; V151-L155 WeakPolarHBondContact O-CG 3.4Å; V151-L155 PolarHBondContact O-N 3.41Å
152E96.3Very high95.7Very high123 Ų12361.7 Ų61.758%0.57531%0.314SS*.Hα-helixtrans-67.4-41.6-176.8-67.9175.3-166.300111.9Q139 N150 W154 L155 K156Q139-E152 PolarHBondContact NE2-OE1 3.42Å; N150-E152 PolarHBondContact O-N 3Å; N150-E152 PolarHBondContact OD1-N 3.44Å; N150-E152 VanDerWaalsContact OD1-N 3.17Å; E152-W154 VanDerWaalsContact C-N 3.34Å; E152-L155 PolarHBondContact O-N 3.47Å; E152-K156 WeakPolarHBondContact O-CB 3.27Å; E152-K156 PolarHBondContact O-N 3.13Å
153Q97.1Very high95.3Very high93 Ų9365.8 Ų65.844%0.43533%0.33SS..Hα-helixtrans-63.1-43.5175.8179.7171.9-14.200111.1N150 K156 K157N150-Q153 HydrophobicContact CB-CB 3.92Å; N150-Q153 PolarHBondContact O-N 3.08Å; N150-Q153 WeakPolarHBondContact OD1-CB 3.41Å; N150-Q153 PolarHBondContact OD1-N 2.98Å; Q153-K156 PolarHBondContact O-N 2.98Å; Q153-K157 HydrophobicContact CG-CD 3.83Å; Q153-K157 HydrophobicContact CG-CG 4.35Å; Q153-K157 WeakPolarHBondContact O-CB 3.43Å; Q153-K157 PolarHBondContact O-N 2.92Å
154W96.6Very high94.7Very high1 Ų166.6 Ų66.60%0.00434%0.335CS..Hα-helixtrans-62.1-48.4177.4-172.589.9000111.1L12 L14 V45 A88 F149 N150 V151 E152 K156 K157 E158 E159 F162L12-W154 HydrophobicContact CD1-CH2 4.43Å; L14-W154 HydrophobicContact CD1-CD2 4.28Å; L14-W154 HydrophobicContact CD1-CE3 3.63Å; L14-W154 HydrophobicContact CD1-CZ3 4.11Å; L14-W154 HydrophobicContact CD2-CE3 4Å; L14-W154 HydrophobicContact CD2-CH2 4.13Å; L14-W154 HydrophobicContact CD2-CZ3 3.7Å; L14-W154 HydrophobicContact CG-CE3 4.04Å; L14-W154 HydrophobicContact CG-CZ3 3.99Å; V45-W154 HydrophobicContact CB-CZ2 4.36Å; V45-W154 HydrophobicContact CG1-CD2 4.33Å; V45-W154 HydrophobicContact CG1-CZ2 3.91Å; V45-W154 VanDerWaalsContact CG1-NE1 3.3Å; V45-W154 HydrophobicContact CG2-CH2 3.93Å; V45-W154 HydrophobicContact CG2-CZ2 3.47Å; V45-W154 VanDerWaalsContact CG2-CZ2 3.47Å; A88-W154 HydrophobicContact CB-CH2 3.73Å; A88-W154 HydrophobicContact CB-CZ3 4.33Å; F149-W154 HydrophobicContact CE1-CB 4.28Å; F149-W154 HydrophobicContact CE2-CB 4.03Å; F149-W154 AromaticContact CE2-CD1 3.52Å; F149-W154 AromaticContact CE2-CG 3.8Å; F149-W154 HydrophobicContact CE2-CG 3.8Å; F149-W154 HydrophobicContact CZ-CB 3.58Å; F149-W154 AromaticContact CZ-CD1 3.65Å; F149-W154 HydrophobicContact CZ-CD2 4.08Å; F149-W154 AromaticContact CZ-CG 3.45Å; F149-W154 HydrophobicContact CZ-CG 3.45Å; F149-W154 VanDerWaalsContact CZ-CG 3.45Å; N150-W154 WeakPolarHBondContact O-CB 2.95Å; N150-W154 PolarHBondContact O-N 2.96Å; V151-W154 PolarHBondContact O-N 2.94Å; E152-W154 VanDerWaalsContact C-N 3.34Å; W154-K156 PolarHBondContact O-N 3.27Å; W154-K157 PolarHBondContact O-N 3.03Å; W154-E158 VanDerWaalsContact CD1-OE2 3.28Å; W154-E158 HydrophobicContact CD2-CB 4.24Å; W154-E158 HydrophobicContact CG-CB 3.99Å; W154-E158 PolarHBondContact NE1-OE2 2.99Å; W154-E158 WeakPolarHBondContact O-CA 3.34Å; W154-E158 WeakPolarHBondContact O-CB 3.38Å; W154-E158 PolarHBondContact O-N 3.06Å; W154-E159 HydrophobicContact CE3-CB 3.98Å; W154-E159 HydrophobicContact CH2-CB 4.07Å; W154-E159 HydrophobicContact CH2-CG 4.28Å; W154-E159 HydrophobicContact CZ3-CB 3.59Å; W154-E159 HydrophobicContact CZ3-CG 3.85Å; W154-E159 PolarHBondContact O-N 3.39Å; W154-F162 AromaticContact CE2-CE2 3.95Å; W154-F162 HydrophobicContact CH2-CB 4.5Å; W154-F162 HydrophobicContact CH2-CD2 4.17Å; W154-F162 HydrophobicContact CH2-CG 4.38Å; W154-F162 HydrophobicContact CZ2-CB 4.46Å; W154-F162 HydrophobicContact CZ2-CD1 4.48Å; W154-F162 AromaticContact CZ2-CD2 3.39Å; W154-F162 HydrophobicContact CZ2-CD2 3.39Å; W154-F162 AromaticContact CZ2-CE2 3.62Å; W154-F162 HydrophobicContact CZ2-CE2 3.62Å; W154-F162 AromaticContact CZ2-CG 3.87Å; W154-F162 HydrophobicContact CZ2-CG 3.87Å; W154-F162 HydrophobicContact CZ2-CZ 4.25Å; W154-F162 AromaticContact NE1-CE2 3.75Å
155L95.7Very high93.7Very high68 Ų6865.7 Ų65.736%0.35635%0.346SS..Hα-helixtrans-58.6-34.6176.8-72.7170.6000112.5L12 L14 V151 E152 E159L12-L155 WeakPolarHBondContact O-CD2 3.38Å; L14-L155 HydrophobicContact CD1-CD2 4.34Å; L14-L155 HydrophobicContact CD1-CG 4.3Å; L14-L155 HydrophobicContact CG-CD2 4.31Å; V151-L155 HydrophobicContact CG1-CD1 3.94Å; V151-L155 WeakPolarHBondContact O-CB 3.46Å; V151-L155 VanDerWaalsContact O-CG 3.31Å; V151-L155 WeakPolarHBondContact O-CG 3.4Å; V151-L155 PolarHBondContact O-N 3.41Å; E152-L155 PolarHBondContact O-N 3.47Å; L155-E159 HydrophobicContact CD2-CG 4.41Å; L155-E159 WeakPolarHBondContact O-CB 3.42Å
156K95.1Very high93Very high173 Ų17373.1 Ų73.175%0.75238%0.375SS*.Hα-helixtrans-80.6-40.1-179.5-173.6173.9-178.3175.80113.5E152 Q153 W154E152-K156 WeakPolarHBondContact O-CB 3.27Å; E152-K156 PolarHBondContact O-N 3.13Å; Q153-K156 PolarHBondContact O-N 2.98Å; W154-K156 PolarHBondContact O-N 3.27Å
157K93.8Very high92.7Very high133 Ų13375 Ų7558%0.57838%0.384SS*.Hα-helixtrans-106.9-36.3-166.9-62.9-173.6-176.2174.40113.6Q153 W154Q153-K157 HydrophobicContact CG-CD 3.83Å; Q153-K157 HydrophobicContact CG-CG 4.35Å; Q153-K157 WeakPolarHBondContact O-CB 3.43Å; Q153-K157 PolarHBondContact O-N 2.92Å; W154-K157 PolarHBondContact O-N 3.03Å
158E93.4Very high92.6Very high63 Ų6374.7 Ų74.729%0.29437%0.373SS..THydrogen-bonded Turntrans-104.8-41.1-170.3-67.4-175.5-121.700111.8W154 P160 L161 F162W154-E158 VanDerWaalsContact CD1-OE2 3.28Å; W154-E158 HydrophobicContact CD2-CB 4.24Å; W154-E158 HydrophobicContact CG-CB 3.99Å; W154-E158 PolarHBondContact NE1-OE2 2.99Å; W154-E158 WeakPolarHBondContact O-CA 3.34Å; W154-E158 WeakPolarHBondContact O-CB 3.38Å; W154-E158 PolarHBondContact O-N 3.06Å; E158-P160 VanDerWaalsContact C-N 3.29Å; E158-P160 VanDerWaalsContact O-N 3.11Å; E158-L161 VanDerWaalsContact O-CB 3.26Å; E158-L161 WeakPolarHBondContact O-CB 3.46Å; E158-L161 PolarHBondContact O-N 2.89Å; E158-F162 HydrophobicContact CB-CD2 4.45Å; E158-F162 HydrophobicContact CB-CE2 4.17Å; E158-F162 WeakPolarHBondContact O-CD2 3.18Å; E158-F162 PolarHBondContact O-N 3.04Å
159E94.8Very high92.6Very high8 Ų870.8 Ų70.84%0.03735%0.349CS..Hα-helixtrans-46.7-42.8-179.3-175.4-83169.100114.3A11 L12 W154 L155 L161 F162 R163A11-E159 WeakPolarHBondContact CA-OE1 3.44Å; L12-E159 HydrophobicContact CB-CG 3.8Å; L12-E159 HydrophobicContact CD1-CG 4.25Å; L12-E159 HydrophobicContact CG-CG 4.17Å; L12-E159 PolarHBondContact N-OE1 3.45Å; W154-E159 HydrophobicContact CE3-CB 3.98Å; W154-E159 HydrophobicContact CH2-CB 4.07Å; W154-E159 HydrophobicContact CH2-CG 4.28Å; W154-E159 HydrophobicContact CZ3-CB 3.59Å; W154-E159 HydrophobicContact CZ3-CG 3.85Å; W154-E159 PolarHBondContact O-N 3.39Å; L155-E159 HydrophobicContact CD2-CG 4.41Å; L155-E159 WeakPolarHBondContact O-CB 3.42Å; E159-L161 PolarHBondContact O-N 3.36Å; E159-L161 VanDerWaalsContact O-N 3.16Å; E159-F162 PolarHBondContact O-N 3.49Å; E159-R163 WeakPolarHBondContact O-CB 3.25Å; E159-R163 PolarHBondContact O-N 3.1Å; E159-R163 WeakPolarHBondContact OE1-CD 3.43Å; E159-R163 IonicContact OE1-CZ 2.68Å; E159-R163 IonicContact OE1-NE 3.42Å; E159-R163 IonicContact OE1-NH1 3.56Å; E159-R163 IonicContact OE2-CZ 3.99Å; E159-R163 IonicContact OE2-NE 3.89Å; E159-R163 IonicContact OE2-NH1 3.61Å; E159-R163 PolarHBondContact OE2-NH1 3.32Å
160P92.1Very high92.5Very high52 Ų5272.2 Ų72.234%0.33836%0.357SS..Hα-helixtrans-60.4-30.5-180-26.736.9000113.3E158 S164E158-P160 VanDerWaalsContact C-N 3.29Å; E158-P160 VanDerWaalsContact O-N 3.11Å; P160-S164 PolarHBondContact O-N 2.99Å
161L90.6Very high92.3Very high87 Ų8774.9 Ų74.946%0.45537%0.367SS..Hα-helixtrans-69.3-44176.7-55175.5000110.6E158 E159 S164 P178E158-L161 VanDerWaalsContact O-CB 3.26Å; E158-L161 WeakPolarHBondContact O-CB 3.46Å; E158-L161 PolarHBondContact O-N 2.89Å; E159-L161 PolarHBondContact O-N 3.36Å; E159-L161 VanDerWaalsContact O-N 3.16Å; L161-S164 PolarHBondContact O-N 3.19Å; L161-S164 PolarHBondContact O-OG 3.44Å; L161-P178 HydrophobicContact CB-CB 3.99Å; L161-P178 HydrophobicContact CD1-CB 4.42Å; L161-P178 HydrophobicContact CD1-CG 4.37Å
162F92.1Very high92.1Very high9 Ų982.7 Ų82.74%0.03940%0.402CS..Hα-helixtrans-67.8-42.6178.2-71.9-89.5000112.1L12 V43 W154 E158 E159 S164 G165 I167 H176L12-F162 HydrophobicContact CD1-CB 3.81Å; V43-F162 HydrophobicContact CG1-CD1 3.35Å; V43-F162 HydrophobicContact CG1-CE1 3.78Å; V43-F162 HydrophobicContact CG1-CG 4.24Å; W154-F162 AromaticContact CE2-CE2 3.95Å; W154-F162 HydrophobicContact CH2-CB 4.5Å; W154-F162 HydrophobicContact CH2-CD2 4.17Å; W154-F162 HydrophobicContact CH2-CG 4.38Å; W154-F162 HydrophobicContact CZ2-CB 4.46Å; W154-F162 HydrophobicContact CZ2-CD1 4.48Å; W154-F162 AromaticContact CZ2-CD2 3.39Å; W154-F162 HydrophobicContact CZ2-CD2 3.39Å; W154-F162 AromaticContact CZ2-CE2 3.62Å; W154-F162 HydrophobicContact CZ2-CE2 3.62Å; W154-F162 AromaticContact CZ2-CG 3.87Å; W154-F162 HydrophobicContact CZ2-CG 3.87Å; W154-F162 HydrophobicContact CZ2-CZ 4.25Å; W154-F162 AromaticContact NE1-CE2 3.75Å; E158-F162 HydrophobicContact CB-CD2 4.45Å; E158-F162 HydrophobicContact CB-CE2 4.17Å; E158-F162 WeakPolarHBondContact O-CD2 3.18Å; E158-F162 PolarHBondContact O-N 3.04Å; E159-F162 PolarHBondContact O-N 3.49Å; F162-S164 PolarHBondContact O-N 2.63Å; F162-G165 PolarHBondContact O-N 2.98Å; F162-G165 VanDerWaalsContact O-N 3.08Å; F162-I167 HydrophobicContact CB-CG2 4.31Å; F162-I167 HydrophobicContact CD1-CG2 3.64Å; F162-I167 HydrophobicContact CE1-CG2 4.31Å; F162-I167 HydrophobicContact CG-CG2 4.2Å; F162-H176 HydrophobicContact CE1-CB 4.18Å; F162-H176 WeakPolarHBondContact CE1-O 3.41Å
163R90.8Very high91.9Very high87 Ų8780.6 Ų80.633%0.32840%0.395SS..Hα-helixtrans-61.4-31.5178-178.8175.167.7-162.5-1112.9T9 K10 L12 E159 G165T9-R163 WeakPolarHBondContact O-CD 3.4Å; T9-R163 WeakPolarHBondContact OG1-CG 3.05Å; K10-R163 WeakPolarHBondContact O-CD 3.29Å; L12-R163 HydrophobicContact CD1-CB 4.4Å; L12-R163 HydrophobicContact CG-CB 4.38Å; E159-R163 WeakPolarHBondContact O-CB 3.25Å; E159-R163 PolarHBondContact O-N 3.1Å; E159-R163 WeakPolarHBondContact OE1-CD 3.43Å; E159-R163 IonicContact OE1-CZ 2.68Å; E159-R163 IonicContact OE1-NE 3.42Å; E159-R163 IonicContact OE1-NH1 3.56Å; E159-R163 IonicContact OE2-CZ 3.99Å; E159-R163 IonicContact OE2-NE 3.89Å; E159-R163 IonicContact OE2-NH1 3.61Å; E159-R163 PolarHBondContact OE2-NH1 3.32Å; R163-G165 PolarHBondContact O-N 3.28Å; R163-G165 VanDerWaalsContact O-N 3.11Å
164S84.4Confident91.9Very high73 Ų7378.2 Ų78.251%0.5138%0.384SS..THydrogen-bonded Turntrans-64.7-11.5176.879.50000114.1P160 L161 F162 R166P160-S164 PolarHBondContact O-N 2.99Å; L161-S164 PolarHBondContact O-N 3.19Å; L161-S164 PolarHBondContact O-OG 3.44Å; F162-S164 PolarHBondContact O-N 2.63Å; S164-R166 PolarHBondContact O-N 2.84Å
165G74.3Confident91.9Very high54 Ų5479.3 Ų79.356%0.55739%0.39SS*.THydrogen-bonded Turntrans78.50.1178.100000114.5F162 R163 I167F162-G165 PolarHBondContact O-N 2.98Å; F162-G165 VanDerWaalsContact O-N 3.08Å; R163-G165 PolarHBondContact O-N 3.28Å; R163-G165 VanDerWaalsContact O-N 3.11Å; G165-I167 PolarHBondContact O-N 2.93Å
166R82.8Confident92Very high159 Ų15977.4 Ų77.460%0.638%0.379SS*.  trans-8464.7175.1-56.8-175.486.3174.25.1109.9S164 P178 L179S164-R166 PolarHBondContact O-N 2.84Å; R166-P178 WeakPolarHBondContact O-CA 3.35Å; R166-L179 HydrophobicContact CB-CB 4.34Å; R166-L179 HydrophobicContact CB-CD1 4.33Å; R166-L179 PolarHBondContact O-N 3.4Å
167I92.3Very high92Very high44 Ų4472.2 Ų72.223%0.22636%0.357CS..EExtended strand (participates in β ladder)trans-124.2150-179.563.4177.7000110.3V43 F162 G165 H176 K177V43-I167 HydrophobicContact CG1-CD1 4.31Å; V43-I167 HydrophobicContact CG2-CD1 3.55Å; F162-I167 HydrophobicContact CB-CG2 4.31Å; F162-I167 HydrophobicContact CD1-CG2 3.64Å; F162-I167 HydrophobicContact CE1-CG2 4.31Å; F162-I167 HydrophobicContact CG-CG2 4.2Å; G165-I167 PolarHBondContact O-N 2.93Å; I167-H176 HydrophobicContact CD1-CB 4.35Å; I167-K177 CarbonylContact C-O 3.56Å; I167-K177 VanDerWaalsContact CA-O 3.29Å; I167-K177 WeakPolarHBondContact CA-O 3.32Å
168Q94.4Very high91.8Very high103 Ų10368 Ų6848%0.48134%0.343SS..EExtended strand (participates in β ladder)trans-123.2142.5171.461.2-178.2-5.700109.8H176 K177 L179Q168-H176 CarbonylContact O-C 3.55Å; Q168-H176 VanDerWaalsContact O-CA 3.3Å; Q168-H176 WeakPolarHBondContact O-CA 3.3Å; Q168-K177 PolarHBondContact N-O 3.08Å; Q168-K177 PolarHBondContact O-N 2.85Å; Q168-L179 HydrophobicContact CB-CD2 3.91Å; Q168-L179 HydrophobicContact CG-CD2 3.78Å
169Y95.7Very high91.5Very high51 Ų5168.8 Ų68.820%0.235%0.348CS..EExtended strand (participates in β ladder)trans-81.7120.8171.3-176.1-115.9000109.7H34 L38 I44 Q171 Q174 H176H34-Y169 PolarHBondContact CE1-OH 3.29Å; H34-Y169 AromaticContact NE2-CZ 3.79Å; H34-Y169 PolarHBondContact NE2-OH 3.42Å; L38-Y169 HydrophobicContact CD1-CE1 4.25Å; L38-Y169 HydrophobicContact CD2-CD2 4.21Å; L38-Y169 HydrophobicContact CD2-CE2 4.04Å; I44-Y169 HydrophobicContact CD1-CE2 4.19Å; Y169-Q171 HydrophobicContact CD1-CG 4.3Å; Y169-Q171 HydrophobicContact CE1-CG 4.35Å; Y169-Q174 VanDerWaalsContact CE2-C 3.48Å; Y169-Q174 VanDerWaalsContact OH-CA 3.24Å; Y169-Q174 WeakPolarHBondContact OH-CA 3.44Å; Y169-Q174 WeakPolarHBondContact OH-CB 3.26Å; Y169-H176 AromaticContact CD2-CE1 3.52Å; Y169-H176 AromaticContact CD2-ND1 3.65Å; Y169-H176 AromaticContact CD2-NE2 3.93Å
170D96.1Very high90.4Very high38 Ų3874.5 Ų74.520%0.20338%0.384CS..EExtended strand (participates in β ladder)trans-87.5110.3173.6-169.9-47.6000108.9Q172 D173 Q174 I175 K177D170-Q172 VanDerWaalsContact C-N 3.28Å; D170-Q172 PolarHBondContact O-N 2.83Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.5Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.22Å; D170-Q172 PolarHBondContact OD1-N 3.3Å; D170-D173 HydrophobicContact CB-CB 4.4Å; D170-D173 PolarHBondContact OD1-N 3.09Å; D170-Q174 WeakPolarHBondContact O-CA 3.44Å; D170-Q174 PolarHBondContact O-N 3.41Å; D170-I175 WeakPolarHBondContact CB-O 3.45Å; D170-I175 PolarHBondContact N-O 3.08Å; D170-I175 PolarHBondContact O-N 2.9Å; D170-K177 HydrophobicContact CB-CD 4.22Å; D170-K177 WeakPolarHBondContact OD2-CE 3.28Å; D170-K177 IonicContact OD2-NZ 3.96Å; D170-K177 PolarHBondContact OD2-NZ 3.36Å
171Q93.4Very high88.9Confident143 Ų14377.2 Ų77.267%0.66840%0.402SS*.THydrogen-bonded Turntrans-66.1-30-178.9-73.7-74.3-11.700112.8Y169Y169-Q171 HydrophobicContact CD1-CG 4.3Å; Y169-Q171 HydrophobicContact CE1-CG 4.35Å
172Q92.1Very high87.1Confident174 Ų17482 Ų8281%0.81344%0.442SS*.THydrogen-bonded Turntrans-76.3-47.6-177.2179.8174.1-2.100110.7D170 Q174D170-Q172 VanDerWaalsContact C-N 3.28Å; D170-Q172 PolarHBondContact O-N 2.83Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.5Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.22Å; D170-Q172 PolarHBondContact OD1-N 3.3Å; Q172-Q174 VanDerWaalsContact C-N 3.35Å
173D93.2Very high86.8Confident80 Ų8085.6 Ų85.643%0.42846%0.462SS..THydrogen-bonded Turntrans-86.8-9.9-179.2-68-25.2000112.9D170 I175 K177D170-D173 HydrophobicContact CB-CB 4.4Å; D170-D173 PolarHBondContact OD1-N 3.09Å; D173-I175 VanDerWaalsContact C-N 3.25Å; D173-I175 HydrophobicContact CB-CD1 4.17Å; D173-I175 HydrophobicContact CB-CG1 3.79Å; D173-I175 PolarHBondContact O-N 3.04Å; D173-K177 WeakPolarHBondContact OD2-CE 3.42Å; D173-K177 IonicContact OD2-NZ 3.92Å; D173-K177 PolarHBondContact OD2-NZ 2.87Å
174Q96.2Very high86.6Confident42 Ų4285.5 Ų85.520%0.19647%0.469CS..THydrogen-bonded Turntrans54.737.9-175.4-57.3-163.9-41.200113.9I44 R83 Y169 D170 Q172I44-Q174 WeakPolarHBondContact CG2-O 3.38Å; R83-Q174 VanDerWaalsContact NH1-OE1 3.1Å; Y169-Q174 VanDerWaalsContact CE2-C 3.48Å; Y169-Q174 VanDerWaalsContact OH-CA 3.24Å; Y169-Q174 WeakPolarHBondContact OH-CA 3.44Å; Y169-Q174 WeakPolarHBondContact OH-CB 3.26Å; D170-Q174 WeakPolarHBondContact O-CA 3.44Å; D170-Q174 PolarHBondContact O-N 3.41Å; Q172-Q174 VanDerWaalsContact C-N 3.35Å
175I97.5Very high86.7Confident25 Ų2586.2 Ų86.213%0.12847%0.467CS..EExtended strand (participates in β ladder)trans-133.6158.9179.263.5174.8000111I44 C47 D170 D173 K177I44-I175 HydrophobicContact CG2-CG2 4.2Å; I44-I175 CarbonylContact O-C 3.57Å; I44-I175 WeakPolarHBondContact O-CA 3.26Å; C47-I175 HydrophobicContact CB-CG2 4.01Å; D170-I175 WeakPolarHBondContact CB-O 3.45Å; D170-I175 PolarHBondContact N-O 3.08Å; D170-I175 PolarHBondContact O-N 2.9Å; D173-I175 VanDerWaalsContact C-N 3.25Å; D173-I175 HydrophobicContact CB-CD1 4.17Å; D173-I175 HydrophobicContact CB-CG1 3.79Å; D173-I175 PolarHBondContact O-N 3.04Å; I175-K177 HydrophobicContact CD1-CG 4.3Å; I175-K177 HydrophobicContact CG1-CG 4.28Å
176H97.3Very high87.5Confident27 Ų2788.1 Ų88.113%0.12546%0.462CS..EExtended strand (participates in β ladder)trans-85.5137.3167.7-66.673.3000109.8V43 I44 F162 I167 Q168 Y169V43-H176 HydrophobicContact CG1-CB 3.76Å; I44-H176 PolarHBondContact N-ND1 2.84Å; I44-H176 PolarHBondContact O-N 3.13Å; F162-H176 HydrophobicContact CE1-CB 4.18Å; F162-H176 WeakPolarHBondContact CE1-O 3.41Å; I167-H176 HydrophobicContact CD1-CB 4.35Å; Q168-H176 CarbonylContact O-C 3.55Å; Q168-H176 VanDerWaalsContact O-CA 3.3Å; Q168-H176 WeakPolarHBondContact O-CA 3.3Å; Y169-H176 AromaticContact CD2-CE1 3.52Å; Y169-H176 AromaticContact CD2-ND1 3.65Å; Y169-H176 AromaticContact CD2-NE2 3.93Å
177K94.8Very high87.8Confident65 Ų6583.7 Ų83.728%0.28345%0.453SS..EExtended strand (participates in β ladder)trans-120.6140.7174.3-65.7176.8-179.2168.80109.4I167 Q168 D170 D173 I175I167-K177 CarbonylContact C-O 3.56Å; I167-K177 VanDerWaalsContact CA-O 3.29Å; I167-K177 WeakPolarHBondContact CA-O 3.32Å; Q168-K177 PolarHBondContact N-O 3.08Å; Q168-K177 PolarHBondContact O-N 2.85Å; D170-K177 HydrophobicContact CB-CD 4.22Å; D170-K177 WeakPolarHBondContact OD2-CE 3.28Å; D170-K177 IonicContact OD2-NZ 3.96Å; D170-K177 PolarHBondContact OD2-NZ 3.36Å; D173-K177 WeakPolarHBondContact OD2-CE 3.42Å; D173-K177 IonicContact OD2-NZ 3.92Å; D173-K177 PolarHBondContact OD2-NZ 2.87Å; I175-K177 HydrophobicContact CD1-CG 4.3Å; I175-K177 HydrophobicContact CG1-CG 4.28Å
178P90.4Very high87.5Confident45 Ų4586.3 Ų86.329%0.29247%0.468SS..EExtended strand (participates in β ladder)trans-62.8140.6169.628.1-32000109.3L161 R166 T180L161-P178 HydrophobicContact CB-CB 3.99Å; L161-P178 HydrophobicContact CD1-CB 4.42Å; L161-P178 HydrophobicContact CD1-CG 4.37Å; R166-P178 WeakPolarHBondContact O-CA 3.35Å; P178-T180 PolarHBondContact O-N 3.02Å
179L85.9Confident87Confident78 Ų7885.1 Ų85.141%0.40847%0.467SS..PPolyproline II helixtrans-69.5118.1169.3-67.1171.4000107.5R166 Q168R166-L179 HydrophobicContact CB-CB 4.34Å; R166-L179 HydrophobicContact CB-CD1 4.33Å; R166-L179 PolarHBondContact O-N 3.4Å; Q168-L179 HydrophobicContact CB-CD2 3.91Å; Q168-L179 HydrophobicContact CG-CD2 3.78Å
180T71.9Confident86.3Confident129 Ų12987.8 Ų87.879%0.79149%0.488SS*.PPolyproline II helixtrans-62.5133.2169.922.40000109.1P178 S182P178-T180 PolarHBondContact O-N 3.02Å; T180-S182 PolarHBondContact O-N 2.82Å
181P61.2Low85.5Confident109 Ų10991.9 Ų91.971%0.70851%0.512SS*.PPolyproline II helixtrans-59126.3165.4-15.628.5000108.3
182S52.1Low84.8Confident186 Ų18687.3 Ų87.3100%1.30150%0.498SS*.  trans-61.2016554.40000111.3T180T180-S182 PolarHBondContact O-N 2.82Å

Retrieved 182 of 182 residues in 258.4 ms (Link to these results)

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