A0A5K4FAQ4_SCHMA Loading...

SelT-like protein

AlphaFold DB , UniProt , Accession A0A5K4FAQ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 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
1M60.3Low72.1Confident82 Ų8291.5 Ų91.540%0.40447%0.471SS..  0-66.60-75.8-66.6-150.900111.6R3 I4 V5 I110 P111 P113 L116M1-R3 PolarHBondContact O-N 3.39Å; M1-I4 PolarHBondContact O-N 3.06Å; M1-I4 VanDerWaalsContact O-N 3.1Å; M1-V5 PolarHBondContact O-N 3.24Å; M1-I110 HydrophobicContact CE-CG2 4.4Å; M1-P111 HydrophobicContact CE-CB 4.39Å; M1-P111 HydrophobicContact CE-CG 3.82Å; M1-P111 WeakPolarHBondContact CE-O 3.44Å; M1-P113 HydrophobicContact SD-CB 4.46Å; M1-P113 HydrophobicContact SD-CG 4.37Å; M1-L116 HydrophobicContact CE-CD2 4.17Å; M1-L116 HydrophobicContact SD-CD2 3.65Å
2S70.6Confident72.4Confident64 Ų6488.1 Ų88.145%0.44845%0.45SS..Hα-helixtrans-52.5-45-174.155.40000115I4 V5 L6S2-I4 VanDerWaalsContact C-N 3.3Å; S2-I4 PolarHBondContact O-N 3.16Å; S2-V5 PolarHBondContact O-N 3.22Å; S2-L6 WeakPolarHBondContact O-CG 3.29Å; S2-L6 PolarHBondContact O-N 3.19Å
3R74.8Confident72.7Confident201 Ų20190.7 Ų90.776%0.75847%0.472SS*.Hα-helixtrans-61.5-34.7-179.4-62.4-170.776.5176.13.3113.9M1 Q7M1-R3 PolarHBondContact O-N 3.39Å; R3-Q7 WeakPolarHBondContact O-CG 3.39Å; R3-Q7 PolarHBondContact O-N 3.44Å; R3-Q7 VanDerWaalsContact O-N 3.08Å
4I73.4Confident72.9Confident60 Ų6090.1 Ų90.131%0.30847%0.469SS..Hα-helixtrans-72.8-39.4-178.1-64.8170.2000110M1 S2 Q7 K8 P113 L117M1-I4 PolarHBondContact O-N 3.06Å; M1-I4 VanDerWaalsContact O-N 3.1Å; S2-I4 VanDerWaalsContact C-N 3.3Å; S2-I4 PolarHBondContact O-N 3.16Å; I4-Q7 PolarHBondContact O-N 3.48Å; I4-K8 PolarHBondContact O-N 3.17Å; I4-P113 HydrophobicContact CD1-CB 3.73Å; I4-P113 HydrophobicContact CD1-CG 4.13Å; I4-L117 HydrophobicContact CG2-CD1 3.62Å; I4-L117 HydrophobicContact CG2-CD2 4.19Å; I4-L117 HydrophobicContact CG2-CG 4.06Å
5V71.4Confident73.3Confident14 Ų1495.6 Ų95.69%0.08549%0.491CS..Hα-helixtrans-65.7-46.4175.1179.10000110.6M1 S2 Q7 K8 Y9 I14 L116 L117 I120M1-V5 PolarHBondContact O-N 3.24Å; S2-V5 PolarHBondContact O-N 3.22Å; V5-Q7 VanDerWaalsContact C-N 3.27Å; V5-Q7 PolarHBondContact O-N 3.47Å; V5-K8 PolarHBondContact O-N 2.85Å; V5-Y9 PolarHBondContact O-N 3Å; V5-I14 HydrophobicContact CB-CD1 4.22Å; V5-I14 HydrophobicContact CG1-CD1 4.33Å; V5-L116 HydrophobicContact CG2-CD2 4.12Å; V5-L117 HydrophobicContact CG2-CD2 4.44Å; V5-I120 HydrophobicContact CG1-CD1 4.15Å; V5-I120 HydrophobicContact CG2-CD1 4.03Å
6L75.7Confident73.8Confident75 Ų7594.8 Ų94.839%0.39351%0.513SS..Hα-helixtrans-63.7-29.4178.7-71.9171.5000113.4S2 Y9 P10 F12 I14S2-L6 WeakPolarHBondContact O-CG 3.29Å; S2-L6 PolarHBondContact O-N 3.19Å; L6-Y9 CarbonylContact O-C 3.59Å; L6-P10 WeakPolarHBondContact O-CA 3.36Å; L6-F12 WeakPolarHBondContact CD2-O 3.33Å; L6-I14 HydrophobicContact CD1-CD1 4.24Å; L6-I14 HydrophobicContact CD2-CD1 4.12Å; L6-I14 HydrophobicContact CD2-CG1 4.45Å; L6-I14 HydrophobicContact CG-CD1 3.77Å
7Q75.4Confident74.1Confident159 Ų15998.2 Ų98.274%0.74353%0.532SS*.Hα-helixtrans-67.8-40.3174.8-82.2178.2-23.600112.6R3 I4 V5R3-Q7 WeakPolarHBondContact O-CG 3.39Å; R3-Q7 PolarHBondContact O-N 3.44Å; R3-Q7 VanDerWaalsContact O-N 3.08Å; I4-Q7 PolarHBondContact O-N 3.48Å; V5-Q7 VanDerWaalsContact C-N 3.27Å; V5-Q7 PolarHBondContact O-N 3.47Å
8K72.2Confident74.6Confident96 Ų9699.2 Ų99.242%0.41754%0.541SS..Hα-helixtrans-82.5-33.2-179.8-167175.1177.6-170.90112.1I4 V5 L117 D121I4-K8 PolarHBondContact O-N 3.17Å; V5-K8 PolarHBondContact O-N 2.85Å; K8-L117 HydrophobicContact CB-CD2 4.32Å; K8-L117 HydrophobicContact CD-CD2 4.1Å; K8-D121 IonicContact NZ-OD2 2.73Å
9Y73.9Confident74.9Confident35 Ų3597.8 Ų97.814%0.13753%0.528CS..  trans-136.788.3-179.8-53.3-85.6000111.4V5 L6 S11 F12 I120 D121 V124V5-Y9 PolarHBondContact O-N 3Å; L6-Y9 CarbonylContact O-C 3.59Å; Y9-S11 PolarHBondContact O-N 2.84Å; Y9-S11 VanDerWaalsContact O-N 3.12Å; Y9-F12 AromaticContact CD1-CE2 3.8Å; Y9-F12 HydrophobicContact CD1-CE2 3.8Å; Y9-F12 HydrophobicContact CD2-CE2 4.21Å; Y9-F12 AromaticContact CG-CD2 3.9Å; Y9-F12 HydrophobicContact CG-CD2 3.9Å; Y9-F12 AromaticContact CG-CE2 3.54Å; Y9-F12 HydrophobicContact CG-CE2 3.54Å; Y9-F12 PolarHBondContact O-N 3.18Å; Y9-I120 HydrophobicContact CD2-CG2 4.11Å; Y9-I120 HydrophobicContact CE2-CG2 3.68Å; Y9-D121 WeakPolarHBondContact OH-CA 3.41Å; Y9-D121 PolarHBondContact OH-OD1 2.99Å; Y9-D121 VanDerWaalsContact OH-OD1 3.09Å; Y9-V124 HydrophobicContact CE1-CG1 4.44Å; Y9-V124 HydrophobicContact CE1-CG2 4.35Å
10P71.5Confident75.1Confident108 Ų10897.4 Ų97.470%0.70153%0.531SS*.THydrogen-bonded Turntrans-67.7-13.6-17525.5-34.2000114.2L6L6-P10 WeakPolarHBondContact O-CA 3.36Å
11S74.5Confident75.5Confident112 Ų11294.4 Ų94.478%0.78352%0.516SS*.THydrogen-bonded Turntrans-88.2-5-178.5-50.80000114.6Y9Y9-S11 PolarHBondContact O-N 2.84Å; Y9-S11 VanDerWaalsContact O-N 3.12Å
12F75.1Confident76.5Confident51 Ų5192.9 Ų92.922%0.22451%0.512CS..  trans-78.2129.6179.6-79.2-95.9000111.3L6 Y9 L96 V124L6-F12 WeakPolarHBondContact CD2-O 3.33Å; Y9-F12 AromaticContact CD1-CE2 3.8Å; Y9-F12 HydrophobicContact CD1-CE2 3.8Å; Y9-F12 HydrophobicContact CD2-CE2 4.21Å; Y9-F12 AromaticContact CG-CD2 3.9Å; Y9-F12 HydrophobicContact CG-CD2 3.9Å; Y9-F12 AromaticContact CG-CE2 3.54Å; Y9-F12 HydrophobicContact CG-CE2 3.54Å; Y9-F12 PolarHBondContact O-N 3.18Å; F12-L96 HydrophobicContact CD1-CD1 3.88Å; F12-L96 HydrophobicContact CE1-CD1 3.33Å; F12-L96 HydrophobicContact CE1-CG 4.36Å; F12-L96 HydrophobicContact CZ-CD1 4.21Å; F12-V124 HydrophobicContact CZ-CG2 3.99Å
13V75.9Confident77.3Confident122 Ų12293 Ų9374%0.73952%0.517SS*.  trans-83.9116.5166-177.50000107.2E15V13-E15 HydrophobicContact CG1-CG 4.11Å
14I76.4Confident77.8Confident82 Ų8291 Ų9142%0.42151%0.51SS..  trans-96.6109.7176.5-58.4178.6000107.4V5 L6V5-I14 HydrophobicContact CB-CD1 4.22Å; V5-I14 HydrophobicContact CG1-CD1 4.33Å; L6-I14 HydrophobicContact CD1-CD1 4.24Å; L6-I14 HydrophobicContact CD2-CD1 4.12Å; L6-I14 HydrophobicContact CD2-CG1 4.45Å; L6-I14 HydrophobicContact CG-CD1 3.77Å
15E78.7Confident78.5Confident173 Ų17392.1 Ų92.181%0.80851%0.51SS*.  trans-97.4130.5169.7-62.3-172.7175.600109V13V13-E15 HydrophobicContact CG1-CG 4.11Å
16G80.8Confident79.3Confident82 Ų8292.6 Ų92.685%0.84552%0.515SS*.  trans-113.3118.7174.800000109
17D79.8Confident80Confident154 Ų15494.7 Ų94.782%0.82452%0.523SS*.  trans-122.7159.6175.6-158.82.8000111.3
18T82.2Confident80.8Confident115 Ų11591 Ų9171%0.70651%0.508SS*.PPolyproline II helixtrans-81.2122.4174.2-58.10000109.1P20T18-P20 VanDerWaalsContact O-N 3.15Å
19Y79.8Confident81.7Confident74 Ų7486.5 Ų86.529%0.2949%0.489SS..PPolyproline II helixtrans-58.1121.3-179.3-171.1-95.6000111.2T89 A91 E93 L105Y19-T89 HydrophobicContact CD1-CG2 4.05Å; Y19-T89 PolarHBondContact O-OG1 3.17Å; Y19-A91 HydrophobicContact CD1-CB 3.37Å; Y19-A91 HydrophobicContact CD2-CB 4.21Å; Y19-A91 HydrophobicContact CE1-CB 3.84Å; Y19-A91 HydrophobicContact CG-CB 3.54Å; Y19-E93 HydrophobicContact CD2-CG 4.06Å; Y19-E93 HydrophobicContact CE2-CG 3.9Å; Y19-E93 WeakPolarHBondContact CE2-OE2 3.31Å; Y19-L105 HydrophobicContact CE1-CD1 4.32Å
20P80.7Confident82.5Confident89 Ų8991.5 Ų91.558%0.57851%0.511SS*.PPolyproline II helixtrans-64.8134.7-170.724.7-33.8000110.9T18T18-P20 VanDerWaalsContact O-N 3.15Å
21P81.7Confident83.5Confident34 Ų3489.9 Ų89.922%0.22150%0.502CS..PPolyproline II helixtrans-61.7143.8173.923.8-30.4000111A23 R25 A26 L87 T89P21-A23 PolarHBondContact O-N 3.39Å; P21-R25 HydrophobicContact CB-CB 4.22Å; P21-A26 HydrophobicContact CG-CB 4.17Å; P21-L87 HydrophobicContact CB-CD2 4.49Å; P21-L87 HydrophobicContact CG-CD2 3.75Å; P21-T89 HydrophobicContact CB-CG2 3.94Å
22P82.2Confident84.4Confident50 Ų5087.3 Ų87.333%0.32548%0.479SS..PPolyproline II helixtrans-47.8140.4169.9-27.132.8000110.7W24 R25 A26P22-W24 HydrophobicContact CB-CG 4.5Å; P22-W24 PolarHBondContact O-N 3.09Å; P22-R25 HydrophobicContact CB-CG 4.45Å; P22-R25 WeakPolarHBondContact O-CA 3.3Å; P22-R25 WeakPolarHBondContact O-CB 3.42Å; P22-R25 PolarHBondContact O-N 3.45Å; P22-A26 PolarHBondContact O-N 3.46Å; P22-A26 VanDerWaalsContact O-N 3.09Å
23A86.3Confident85.3Confident67 Ų6788.4 Ų88.455%0.55449%0.485SS*.Hα-helixtrans-49.1-41.8-173.500000112.7P21 R25 A26 H27P21-A23 PolarHBondContact O-N 3.39Å; A23-R25 PolarHBondContact O-N 3.07Å; A23-A26 PolarHBondContact O-N 3.47Å; A23-H27 WeakPolarHBondContact O-CB 3.36Å; A23-H27 PolarHBondContact O-CD2 3.04Å; A23-H27 PolarHBondContact O-N 3.01Å
24W86.3Confident86.1Confident160 Ų16089.9 Ų89.961%0.60648%0.482SS*.Hα-helixtrans-61.8-38.4177.874.3-94.9000113.6P22 L28P22-W24 HydrophobicContact CB-CG 4.5Å; P22-W24 PolarHBondContact O-N 3.09Å; W24-L28 HydrophobicContact CZ3-CD2 4.37Å; W24-L28 WeakPolarHBondContact O-CB 3.48Å; W24-L28 PolarHBondContact O-N 3.32Å
25R87.8Confident87Confident82 Ų8290.4 Ų90.431%0.30949%0.485SS..Hα-helixtrans-69.3-41175.7-65.8-167.2-174.8163.50.5110.9P21 P22 A23 L28 A29 L86P21-R25 HydrophobicContact CB-CB 4.22Å; P22-R25 HydrophobicContact CB-CG 4.45Å; P22-R25 WeakPolarHBondContact O-CA 3.3Å; P22-R25 WeakPolarHBondContact O-CB 3.42Å; P22-R25 PolarHBondContact O-N 3.45Å; A23-R25 PolarHBondContact O-N 3.07Å; R25-L28 PolarHBondContact O-N 2.9Å; R25-A29 WeakPolarHBondContact O-CB 3.36Å; R25-A29 PolarHBondContact O-N 3.36Å; R25-L86 WeakPolarHBondContact CD-O 3.43Å
26A88.8Confident87.6Confident24 Ų2482.6 Ų82.620%0.19845%0.449CS..Hα-helixtrans-63.4-43.8176.500000111.7P21 P22 A23 A29 K30P21-A26 HydrophobicContact CG-CB 4.17Å; P22-A26 PolarHBondContact O-N 3.46Å; P22-A26 VanDerWaalsContact O-N 3.09Å; A23-A26 PolarHBondContact O-N 3.47Å; A26-A29 PolarHBondContact O-N 3.31Å; A26-K30 WeakPolarHBondContact O-CG 3.44Å; A26-K30 PolarHBondContact O-N 3.21Å
27H90.8Very high88.2Confident120 Ų12084.3 Ų84.356%0.55643%0.43SS*.Hα-helixtrans-62.2-46174.6-72.5-59.5000111.4A23 A29 K30 S31A23-H27 WeakPolarHBondContact O-CB 3.36Å; A23-H27 PolarHBondContact O-CD2 3.04Å; A23-H27 PolarHBondContact O-N 3.01Å; H27-A29 PolarHBondContact O-N 3.29Å; H27-K30 PolarHBondContact O-N 3.25Å; H27-S31 PolarHBondContact O-N 3.36Å; H27-S31 PolarHBondContact O-OG 2.96Å
28L91.1Very high88.9Confident80 Ų8078.7 Ų78.742%0.41940%0.403SS..Hα-helixtrans-62.5-42.8177.9-174.762.8000112W24 R25 K30 S31 L32 L86W24-L28 HydrophobicContact CZ3-CD2 4.37Å; W24-L28 WeakPolarHBondContact O-CB 3.48Å; W24-L28 PolarHBondContact O-N 3.32Å; R25-L28 PolarHBondContact O-N 2.9Å; L28-K30 PolarHBondContact O-N 2.91Å; L28-S31 PolarHBondContact O-N 3.06Å; L28-L32 HydrophobicContact CG-CD1 4.42Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.86Å; L28-L86 HydrophobicContact CB-CD2 3.9Å; L28-L86 HydrophobicContact CD2-CD2 3.56Å; L28-L86 HydrophobicContact CG-CD2 3.56Å
29A90.5Very high89.2Confident2 Ų276 Ų762%0.01738%0.384CS..Hα-helixtrans-59.8-44174.800000111.7R25 A26 H27 L32 Q33 E83 L86 L87R25-A29 WeakPolarHBondContact O-CB 3.36Å; R25-A29 PolarHBondContact O-N 3.36Å; A26-A29 PolarHBondContact O-N 3.31Å; H27-A29 PolarHBondContact O-N 3.29Å; A29-L32 PolarHBondContact O-N 2.83Å; A29-Q33 WeakPolarHBondContact O-CB 3.23Å; A29-Q33 PolarHBondContact O-N 3.18Å; A29-E83 HydrophobicContact CB-CG 4.35Å; A29-L86 HydrophobicContact CB-CB 4.24Å; A29-L86 HydrophobicContact CB-CD2 4.35Å; A29-L87 HydrophobicContact CB-CD2 3.77Å; A29-L87 HydrophobicContact CB-CG 3.99Å
30K91.4Very high89.8Confident140 Ų14074 Ų7461%0.60938%0.378SS*.Hα-helixtrans-62.3-43.8174.4-73.7177-179-179.40112.3A26 H27 L28 Q33 F34A26-K30 WeakPolarHBondContact O-CG 3.44Å; A26-K30 PolarHBondContact O-N 3.21Å; H27-K30 PolarHBondContact O-N 3.25Å; L28-K30 PolarHBondContact O-N 2.91Å; K30-Q33 WeakPolarHBondContact O-CB 3.32Å; K30-Q33 PolarHBondContact O-N 2.79Å; K30-F34 PolarHBondContact O-N 3.45Å
31S93.3Very high90.4Very high74 Ų7474.4 Ų74.452%0.51738%0.375SS..Hα-helixtrans-62.5-42.3176.2-64.10000112H27 L28 Q33 F34 L35H27-S31 PolarHBondContact O-N 3.36Å; H27-S31 PolarHBondContact O-OG 2.96Å; L28-S31 PolarHBondContact O-N 3.06Å; S31-Q33 VanDerWaalsContact C-N 3.34Å; S31-F34 PolarHBondContact O-N 2.95Å; S31-L35 WeakPolarHBondContact O-CB 3.43Å; S31-L35 PolarHBondContact O-N 3.25Å
32L93.5Very high90.7Very high58 Ų5875.7 Ų75.730%0.30438%0.379SS..Hα-helixtrans-63.6-39.6174.7-74.2173.9000111.9L28 A29 L35 K36 I82 L86L28-L32 HydrophobicContact CG-CD1 4.42Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.86Å; A29-L32 PolarHBondContact O-N 2.83Å; L32-L35 PolarHBondContact O-N 3.33Å; L32-K36 WeakPolarHBondContact O-CB 3.22Å; L32-K36 PolarHBondContact O-N 3.41Å; L32-I82 HydrophobicContact CD1-CG2 3.8Å; L32-L86 HydrophobicContact CD1-CD2 3.74Å
33Q92.7Very high91Very high75 Ų7573.7 Ų73.735%0.3537%0.366SS..Hα-helixtrans-62.3-46.6176.2-173.9-178.681.600111.1A29 K30 S31 K36 Y37 E83A29-Q33 WeakPolarHBondContact O-CB 3.23Å; A29-Q33 PolarHBondContact O-N 3.18Å; K30-Q33 WeakPolarHBondContact O-CB 3.32Å; K30-Q33 PolarHBondContact O-N 2.79Å; S31-Q33 VanDerWaalsContact C-N 3.34Å; Q33-K36 WeakPolarHBondContact O-CB 3.49Å; Q33-K36 PolarHBondContact O-N 3.45Å; Q33-Y37 HydrophobicContact CG-CD2 3.91Å; Q33-Y37 HydrophobicContact CG-CE2 3.54Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.42Å; Q33-Y37 PolarHBondContact O-N 3.22Å; Q33-Y37 VanDerWaalsContact O-N 3.12Å; Q33-E83 PolarHBondContact NE2-OE1 3.34Å
34F94.3Very high91.2Very high153 Ų15374.5 Ų74.567%0.67136%0.363SS*.Hα-helixtrans-59.1-49.7175-177.2-98.8000111.3K30 S31 K36 Y37 S38K30-F34 PolarHBondContact O-N 3.45Å; S31-F34 PolarHBondContact O-N 2.95Å; F34-K36 PolarHBondContact O-N 2.93Å; F34-Y37 PolarHBondContact O-N 2.91Å; F34-S38 PolarHBondContact O-N 3.03Å; F34-S38 PolarHBondContact O-OG 3.1Å; F34-S38 VanDerWaalsContact O-OG 3.09Å
35L93.8Very high91.3Very high93 Ų9374.4 Ų74.449%0.48737%0.368SS..Hα-helixtrans-59.2-44.2178.5-179.663.4000112.4S31 L32 Y37 S38 I39S31-L35 WeakPolarHBondContact O-CB 3.43Å; S31-L35 PolarHBondContact O-N 3.25Å; L32-L35 PolarHBondContact O-N 3.33Å; L35-Y37 PolarHBondContact O-N 3.3Å; L35-S38 WeakPolarHBondContact O-CB 3.33Å; L35-S38 PolarHBondContact O-N 3.22Å; L35-I39 HydrophobicContact CD1-CD1 4.11Å; L35-I39 HydrophobicContact CD1-CG1 4.32Å; L35-I39 HydrophobicContact CG-CD1 3.92Å; L35-I39 VanDerWaalsContact O-CG1 3.32Å; L35-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 PolarHBondContact O-N 3.37Å
36K92.2Very high91.1Very high9 Ų971.9 Ų71.94%0.03937%0.367CS..Hα-helixtrans-54.6-50.6175.8175.4-176.375.2-172.40110.7L32 Q33 F34 I39 I40 T75 F76 N80 E83L32-K36 WeakPolarHBondContact O-CB 3.22Å; L32-K36 PolarHBondContact O-N 3.41Å; Q33-K36 WeakPolarHBondContact O-CB 3.49Å; Q33-K36 PolarHBondContact O-N 3.45Å; F34-K36 PolarHBondContact O-N 2.93Å; K36-I39 PolarHBondContact O-N 3.01Å; K36-I40 HydrophobicContact CG-CD1 4.06Å; K36-I40 VanDerWaalsContact O-CG1 3.28Å; K36-I40 WeakPolarHBondContact O-CG1 3.32Å; K36-I40 PolarHBondContact O-N 3.36Å; K36-T75 HydrophobicContact CG-CG2 4.48Å; K36-F76 HydrophobicContact CD-CD2 4.47Å; K36-N80 PolarHBondContact NZ-OD1 2.93Å; K36-E83 IonicContact NZ-OE2 3.8Å; K36-E83 PolarHBondContact NZ-OE2 3.3Å
37Y93.6Very high90.8Very high117 Ų11775.2 Ų75.246%0.45938%0.377SS..Hα-helixtrans-67.9-36.5178.7-71.9-59.5000112.7Q33 F34 L35 I40 L41Q33-Y37 HydrophobicContact CG-CD2 3.91Å; Q33-Y37 HydrophobicContact CG-CE2 3.54Å; Q33-Y37 WeakPolarHBondContact O-CD2 3.42Å; Q33-Y37 PolarHBondContact O-N 3.22Å; Q33-Y37 VanDerWaalsContact O-N 3.12Å; F34-Y37 PolarHBondContact O-N 2.91Å; L35-Y37 PolarHBondContact O-N 3.3Å; Y37-I40 PolarHBondContact O-N 3.4Å; Y37-L41 VanDerWaalsContact O-CB 3.28Å; Y37-L41 WeakPolarHBondContact O-CB 3.35Å; Y37-L41 PolarHBondContact O-N 3.46Å
38S93Very high90.4Very high37 Ų3771.7 Ų71.726%0.25936%0.362SS..Hα-helixtrans-60.3-46172.9-58.80000112F34 L35 L41 M42F34-S38 PolarHBondContact O-N 3.03Å; F34-S38 PolarHBondContact O-OG 3.1Å; F34-S38 VanDerWaalsContact O-OG 3.09Å; L35-S38 WeakPolarHBondContact O-CB 3.33Å; L35-S38 PolarHBondContact O-N 3.22Å; S38-L41 PolarHBondContact O-N 2.92Å; S38-M42 WeakPolarHBondContact O-CB 3.3Å; S38-M42 VanDerWaalsContact O-CG 3.22Å; S38-M42 WeakPolarHBondContact O-CG 3.36Å; S38-M42 PolarHBondContact O-N 2.92Å
39I90.2Very high89.8Confident59 Ų5971.3 Ų71.330%0.30336%0.36SS..Hα-helixtrans-63.2-44.2178.5-67.8166.1000111.1L35 K36 L41 M42 T43 F71 T75L35-I39 HydrophobicContact CD1-CD1 4.11Å; L35-I39 HydrophobicContact CD1-CG1 4.32Å; L35-I39 HydrophobicContact CG-CD1 3.92Å; L35-I39 VanDerWaalsContact O-CG1 3.32Å; L35-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 PolarHBondContact O-N 3.37Å; K36-I39 PolarHBondContact O-N 3.01Å; I39-L41 VanDerWaalsContact C-N 3.35Å; I39-M42 PolarHBondContact O-N 3.47Å; I39-T43 WeakPolarHBondContact O-CB 3.33Å; I39-T43 PolarHBondContact O-N 3.49Å; I39-T43 PolarHBondContact O-OG1 3.45Å; I39-F71 HydrophobicContact CG2-CE1 4Å; I39-T75 HydrophobicContact CB-CG2 4.48Å; I39-T75 HydrophobicContact CG2-CG2 4.08Å
40I91.9Very high89.4Confident31 Ų3174.4 Ų74.416%0.15937%0.373CS..Hα-helixtrans-60.4-47.5176.5-69.6167.6000109.8K36 Y37 M42 T43 V44 C72 T75 F76K36-I40 HydrophobicContact CG-CD1 4.06Å; K36-I40 VanDerWaalsContact O-CG1 3.28Å; K36-I40 WeakPolarHBondContact O-CG1 3.32Å; K36-I40 PolarHBondContact O-N 3.36Å; Y37-I40 PolarHBondContact O-N 3.4Å; I40-M42 PolarHBondContact O-N 3.42Å; I40-T43 PolarHBondContact O-N 3.47Å; I40-V44 HydrophobicContact CG2-CG2 4.31Å; I40-V44 VanDerWaalsContact O-CG2 3.28Å; I40-V44 WeakPolarHBondContact O-CG2 3.14Å; I40-V44 PolarHBondContact O-N 3.28Å; I40-C72 HydrophobicContact CG2-CB 4.33Å; I40-T75 HydrophobicContact CG1-CG2 4.18Å; I40-F76 HydrophobicContact CD1-CB 4.09Å; I40-F76 HydrophobicContact CD1-CD2 4.49Å
41L92.4Very high88.8Confident98 Ų9869.9 Ų69.951%0.51337%0.366SS..Hα-helixtrans-60.9-45.7-179.7-167.365.9000111.8Y37 S38 I39 T43 V44 F45Y37-L41 VanDerWaalsContact O-CB 3.28Å; Y37-L41 WeakPolarHBondContact O-CB 3.35Å; Y37-L41 PolarHBondContact O-N 3.46Å; S38-L41 PolarHBondContact O-N 2.92Å; I39-L41 VanDerWaalsContact C-N 3.35Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 2.99Å; L41-V44 PolarHBondContact O-N 2.89Å; L41-F45 HydrophobicContact CD1-CD2 3.92Å; L41-F45 HydrophobicContact CD1-CE2 3.33Å; L41-F45 HydrophobicContact CD1-CZ 4.2Å; L41-F45 HydrophobicContact CD2-CE2 4.22Å; L41-F45 HydrophobicContact CG-CD2 3.79Å; L41-F45 HydrophobicContact CG-CE2 3.55Å; L41-F45 WeakPolarHBondContact O-CD2 3.28Å; L41-F45 PolarHBondContact O-N 2.83Å
42M88.8Confident88.2Confident61 Ų6175.1 Ų75.130%0.338%0.376SS..Hα-helixtrans-60.9-41.8175.8-69.2170.677.900112S38 I39 I40 G46 F47 L49S38-M42 WeakPolarHBondContact O-CB 3.3Å; S38-M42 VanDerWaalsContact O-CG 3.22Å; S38-M42 WeakPolarHBondContact O-CG 3.36Å; S38-M42 PolarHBondContact O-N 2.92Å; I39-M42 PolarHBondContact O-N 3.47Å; I40-M42 PolarHBondContact O-N 3.42Å; M42-G46 PolarHBondContact O-N 2.92Å; M42-F47 HydrophobicContact CE-CD1 3.58Å; M42-F47 HydrophobicContact CE-CE1 3.98Å; M42-F47 PolarHBondContact O-N 3.27Å; M42-L49 HydrophobicContact CE-CB 3.72Å; M42-L49 HydrophobicContact CE-CD1 3.95Å; M42-L49 HydrophobicContact CE-CD2 4.12Å; M42-L49 HydrophobicContact CE-CG 4.14Å
43T89.1Confident87.8Confident8 Ų877.1 Ų77.15%0.04939%0.386CS..Hα-helixtrans-66.1-42.7178.3-54.80000111.6I39 I40 L41 G46 A64 K68 F71I39-T43 WeakPolarHBondContact O-CB 3.33Å; I39-T43 PolarHBondContact O-N 3.49Å; I39-T43 PolarHBondContact O-OG1 3.45Å; I40-T43 PolarHBondContact O-N 3.47Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 2.99Å; T43-G46 PolarHBondContact O-N 2.86Å; T43-G46 VanDerWaalsContact O-N 3.1Å; T43-A64 HydrophobicContact CG2-CB 4.1Å; T43-K68 HydrophobicContact CG2-CB 4.38Å; T43-K68 HydrophobicContact CG2-CG 4.44Å; T43-F71 HydrophobicContact CG2-CD1 3.87Å
44V89.2Confident87.3Confident84 Ų8476.8 Ų76.851%0.50940%0.403SS..Hα-helixtrans-61.6-49.1178.2170.20000110.5I40 L41 G46 K68I40-V44 HydrophobicContact CG2-CG2 4.31Å; I40-V44 VanDerWaalsContact O-CG2 3.28Å; I40-V44 WeakPolarHBondContact O-CG2 3.14Å; I40-V44 PolarHBondContact O-N 3.28Å; L41-V44 PolarHBondContact O-N 2.89Å; V44-G46 PolarHBondContact O-N 3.47Å; V44-K68 PolarHBondContact O-NZ 3.13Å
45F88.9Confident86.7Confident158 Ų15877.1 Ų77.169%0.69340%0.401SS*.Hα-helixtrans-68.8-12.2175.8-71.6-61.1000113.9L41 F47L41-F45 HydrophobicContact CD1-CD2 3.92Å; L41-F45 HydrophobicContact CD1-CE2 3.33Å; L41-F45 HydrophobicContact CD1-CZ 4.2Å; L41-F45 HydrophobicContact CD2-CE2 4.22Å; L41-F45 HydrophobicContact CG-CD2 3.79Å; L41-F45 HydrophobicContact CG-CE2 3.55Å; L41-F45 WeakPolarHBondContact O-CD2 3.28Å; L41-F45 PolarHBondContact O-N 2.83Å; F45-F47 VanDerWaalsContact C-N 3.33Å
46G83.6Confident86.2Confident28 Ų2878.2 Ų78.229%0.28941%0.414SS..THydrogen-bonded Turntrans7227.3-178.500000113.3M42 T43 V44 D48M42-G46 PolarHBondContact O-N 2.92Å; T43-G46 PolarHBondContact O-N 2.86Å; T43-G46 VanDerWaalsContact O-N 3.1Å; V44-G46 PolarHBondContact O-N 3.47Å; G46-D48 PolarHBondContact O-N 3.44Å
47F82.7Confident85.7Confident95 Ų9580.1 Ų80.142%0.41743%0.426SS..  trans-79.4107.7178.8-174.3-97.1000110M42 F45 L49 Y52M42-F47 HydrophobicContact CE-CD1 3.58Å; M42-F47 HydrophobicContact CE-CE1 3.98Å; M42-F47 PolarHBondContact O-N 3.27Å; F45-F47 VanDerWaalsContact C-N 3.33Å; F47-L49 HydrophobicContact CD1-CB 4.4Å; F47-L49 HydrophobicContact CE1-CB 4.18Å; F47-L49 HydrophobicContact CE1-CD1 3.74Å; F47-L49 PolarHBondContact O-N 3.35Å; F47-Y52 HydrophobicContact CZ-CG 4.37Å
48D81.4Confident85.3Confident45 Ų4576.2 Ų76.224%0.24142%0.415CS..  trans-84.194.3173.4-172.61.2000110.5G46 F50 G51 Y52 T57G46-D48 PolarHBondContact O-N 3.44Å; D48-F50 PolarHBondContact O-N 2.97Å; D48-F50 PolarHBondContact OD1-N 2.87Å; D48-G51 PolarHBondContact O-N 3.09Å; D48-G51 PolarHBondContact OD1-N 3.39Å; D48-Y52 PolarHBondContact O-N 3.42Å; D48-T57 WeakPolarHBondContact OD2-CG2 3.28Å; D48-T57 PolarHBondContact OD2-OG1 2.98Å
49L78.6Confident84.9Confident73 Ų7381.4 Ų81.438%0.38244%0.44SS..Hα-helixtrans-58.6-34.8176.5-171.973.6000112.1M42 F47 Y52 L53M42-L49 HydrophobicContact CE-CB 3.72Å; M42-L49 HydrophobicContact CE-CD1 3.95Å; M42-L49 HydrophobicContact CE-CD2 4.12Å; M42-L49 HydrophobicContact CE-CG 4.14Å; F47-L49 HydrophobicContact CD1-CB 4.4Å; F47-L49 HydrophobicContact CE1-CB 4.18Å; F47-L49 HydrophobicContact CE1-CD1 3.74Å; F47-L49 PolarHBondContact O-N 3.35Å; L49-Y52 PolarHBondContact O-N 3.5Å; L49-L53 HydrophobicContact CG-CD1 4.11Å; L49-L53 WeakPolarHBondContact O-CG 3.48Å; L49-L53 PolarHBondContact O-N 2.9Å; L49-L53 VanDerWaalsContact O-N 3.09Å
50F82.4Confident84.6Confident67 Ų6784.2 Ų84.229%0.29445%0.45SS..Hα-helixtrans-74-41.8-177.3-68.9-91.8000110.9D48 Y52 L53 G54 Y55 P58 F60 V61D48-F50 PolarHBondContact O-N 2.97Å; D48-F50 PolarHBondContact OD1-N 2.87Å; F50-Y52 VanDerWaalsContact C-N 3.31Å; F50-Y52 PolarHBondContact O-N 3.37Å; F50-L53 PolarHBondContact O-N 2.94Å; F50-G54 PolarHBondContact O-N 3.34Å; F50-G54 VanDerWaalsContact O-N 3.16Å; F50-Y55 PolarHBondContact O-N 3.27Å; F50-P58 HydrophobicContact CD1-CG 4.05Å; F50-P58 HydrophobicContact CD2-CG 4.17Å; F50-P58 HydrophobicContact CE1-CG 4Å; F50-P58 HydrophobicContact CE2-CG 4.11Å; F50-P58 HydrophobicContact CG-CG 4.13Å; F50-P58 HydrophobicContact CZ-CG 4.03Å; F50-F60 HydrophobicContact CE2-CE2 4.27Å; F50-F60 AromaticContact CE2-CZ 3.92Å; F50-F60 HydrophobicContact CE2-CZ 3.92Å; F50-F60 AromaticContact CZ-CZ 3.77Å; F50-F60 HydrophobicContact CZ-CZ 3.77Å; F50-V61 HydrophobicContact CD2-CB 4.43Å; F50-V61 HydrophobicContact CD2-CG1 4.41Å; F50-V61 HydrophobicContact CD2-CG2 3.54Å; F50-V61 HydrophobicContact CE2-CG2 3.5Å
51G79Confident84.2Confident44 Ų4483.3 Ų83.345%0.45445%0.446SS..Hα-helixtrans-58.7-41.3171.200000112.4D48 L53 G54D48-G51 PolarHBondContact O-N 3.09Å; D48-G51 PolarHBondContact OD1-N 3.39Å; G51-L53 VanDerWaalsContact C-N 3.35Å; G51-L53 PolarHBondContact O-N 3.03Å; G51-G54 PolarHBondContact O-N 3.46Å
52Y80.4Confident83.9Confident184 Ų18480.5 Ų80.572%0.72244%0.435SS*.Hα-helixtrans-66.3-34.5177-175.2-101000113.3F47 D48 L49 F50 G54F47-Y52 HydrophobicContact CZ-CG 4.37Å; D48-Y52 PolarHBondContact O-N 3.42Å; L49-Y52 PolarHBondContact O-N 3.5Å; F50-Y52 VanDerWaalsContact C-N 3.31Å; F50-Y52 PolarHBondContact O-N 3.37Å; Y52-G54 VanDerWaalsContact C-N 3.28Å; Y52-G54 PolarHBondContact O-N 3.47Å
53L84.9Confident83.8Confident100 Ų10082.7 Ų82.752%0.52444%0.44SS..THydrogen-bonded Turntrans-82.9-0.6177.5-68.2170.4000113.6L49 F50 G51 Y55L49-L53 HydrophobicContact CG-CD1 4.11Å; L49-L53 WeakPolarHBondContact O-CG 3.48Å; L49-L53 PolarHBondContact O-N 2.9Å; L49-L53 VanDerWaalsContact O-N 3.09Å; F50-L53 PolarHBondContact O-N 2.94Å; G51-L53 VanDerWaalsContact C-N 3.35Å; G51-L53 PolarHBondContact O-N 3.03Å; L53-Y55 VanDerWaalsContact C-N 3.25Å; L53-Y55 HydrophobicContact CB-CD2 3.71Å; L53-Y55 HydrophobicContact CB-CE2 4.19Å; L53-Y55 PolarHBondContact O-N 2.87Å
54G82.2Confident83.7Confident68 Ų6882.4 Ų82.470%0.70144%0.439SS*.THydrogen-bonded Turntrans72.813.5-179.400000114.6F50 G51 Y52F50-G54 PolarHBondContact O-N 3.34Å; F50-G54 VanDerWaalsContact O-N 3.16Å; G51-G54 PolarHBondContact O-N 3.46Å; Y52-G54 VanDerWaalsContact C-N 3.28Å; Y52-G54 PolarHBondContact O-N 3.47Å
55Y82.9Confident83.5Confident160 Ų16080.9 Ų80.963%0.62743%0.427SS*.SBendtrans-88.4149.6174.6-72.6-74.2000110.6F50 L53 T57F50-Y55 PolarHBondContact O-N 3.27Å; L53-Y55 VanDerWaalsContact C-N 3.25Å; L53-Y55 HydrophobicContact CB-CD2 3.71Å; L53-Y55 HydrophobicContact CB-CE2 4.19Å; L53-Y55 PolarHBondContact O-N 2.87Å; Y55-T57 PolarHBondContact O-N 3.38Å
56P82.8Confident83.5Confident116 Ų11680.5 Ų80.575%0.75343%0.427SS*.PPolyproline II helixtrans-58.7124.6172.825-33.2000109.6P58P56-P58 VanDerWaalsContact O-CD 3.29Å; P56-P58 WeakPolarHBondContact O-CD 3.2Å; P56-P58 VanDerWaalsContact O-N 3.13Å
57T81.8Confident83.9Confident50 Ų5082.7 Ų82.731%0.30743%0.432SS..PPolyproline II helixtrans-59.3116.4-180-52.30000109.2D48 Y55 V61D48-T57 WeakPolarHBondContact OD2-CG2 3.28Å; D48-T57 PolarHBondContact OD2-OG1 2.98Å; Y55-T57 PolarHBondContact O-N 3.38Å; T57-V61 HydrophobicContact CG2-CB 3.64Å; T57-V61 HydrophobicContact CG2-CG1 3.57Å
58P84.9Confident84.2Confident34 Ų3482.1 Ų82.122%0.22143%0.429CS..PPolyproline II helixtrans-71.2152.9-177.228.6-33.9000110.8F50 P56 F60 V61 S62F50-P58 HydrophobicContact CD1-CG 4.05Å; F50-P58 HydrophobicContact CD2-CG 4.17Å; F50-P58 HydrophobicContact CE1-CG 4Å; F50-P58 HydrophobicContact CE2-CG 4.11Å; F50-P58 HydrophobicContact CG-CG 4.13Å; F50-P58 HydrophobicContact CZ-CG 4.03Å; P56-P58 VanDerWaalsContact O-CD 3.29Å; P56-P58 WeakPolarHBondContact O-CD 3.2Å; P56-P58 VanDerWaalsContact O-N 3.13Å; P58-F60 HydrophobicContact CB-CD1 3.68Å; P58-F60 HydrophobicContact CB-CE1 3.4Å; P58-F60 VanDerWaalsContact CB-CE1 3.4Å; P58-F60 HydrophobicContact CB-CZ 4.26Å; P58-F60 HydrophobicContact CG-CD1 3.77Å; P58-F60 HydrophobicContact CG-CE1 3.16Å; P58-F60 HydrophobicContact CG-CE2 4.36Å; P58-F60 HydrophobicContact CG-CZ 3.5Å; P58-F60 PolarHBondContact O-N 2.89Å; P58-V61 HydrophobicContact CG-CB 4.28Å; P58-V61 HydrophobicContact CG-CG2 3.7Å; P58-V61 PolarHBondContact O-N 3.28Å; P58-S62 PolarHBondContact O-N 2.82Å
59N85.6Confident84.7Confident147 Ų14785.8 Ų85.879%0.78645%0.454SS*.Hα-helixtrans-51.3-35.1-173.3-73.1-37000114.1V61 S62 Y63N59-V61 VanDerWaalsContact C-N 3.33Å; N59-V61 PolarHBondContact O-N 3.39Å; N59-S62 PolarHBondContact O-N 3.35Å; N59-Y63 WeakPolarHBondContact O-CB 3.38Å; N59-Y63 PolarHBondContact O-N 3.24Å
60F83.8Confident85.4Confident117 Ų11784.9 Ų84.951%0.51345%0.453SS..Hα-helixtrans-67.3-32.7178.870.9-92.8000112.9F50 P58 A64F50-F60 HydrophobicContact CE2-CE2 4.27Å; F50-F60 AromaticContact CE2-CZ 3.92Å; F50-F60 HydrophobicContact CE2-CZ 3.92Å; F50-F60 AromaticContact CZ-CZ 3.77Å; F50-F60 HydrophobicContact CZ-CZ 3.77Å; P58-F60 HydrophobicContact CB-CD1 3.68Å; P58-F60 HydrophobicContact CB-CE1 3.4Å; P58-F60 VanDerWaalsContact CB-CE1 3.4Å; P58-F60 HydrophobicContact CB-CZ 4.26Å; P58-F60 HydrophobicContact CG-CD1 3.77Å; P58-F60 HydrophobicContact CG-CE1 3.16Å; P58-F60 HydrophobicContact CG-CE2 4.36Å; P58-F60 HydrophobicContact CG-CZ 3.5Å; P58-F60 PolarHBondContact O-N 2.89Å; F60-A64 WeakPolarHBondContact O-CB 3.33Å; F60-A64 PolarHBondContact O-N 3.09Å
61V83.5Confident85.9Confident12 Ų1283.2 Ų83.27%0.07345%0.446CS..Hα-helixtrans-77-41.6176.9179.80000110F50 T57 P58 N59 Y63 A64 M65F50-V61 HydrophobicContact CD2-CB 4.43Å; F50-V61 HydrophobicContact CD2-CG1 4.41Å; F50-V61 HydrophobicContact CD2-CG2 3.54Å; F50-V61 HydrophobicContact CE2-CG2 3.5Å; T57-V61 HydrophobicContact CG2-CB 3.64Å; T57-V61 HydrophobicContact CG2-CG1 3.57Å; P58-V61 HydrophobicContact CG-CB 4.28Å; P58-V61 HydrophobicContact CG-CG2 3.7Å; P58-V61 PolarHBondContact O-N 3.28Å; N59-V61 VanDerWaalsContact C-N 3.33Å; N59-V61 PolarHBondContact O-N 3.39Å; V61-Y63 VanDerWaalsContact C-N 3.25Å; V61-Y63 PolarHBondContact O-N 3.12Å; V61-A64 CarbonylContact O-C 3.6Å; V61-A64 WeakPolarHBondContact O-CA 3.33Å; V61-A64 WeakPolarHBondContact O-CB 3.47Å; V61-A64 PolarHBondContact O-N 2.92Å; V61-M65 HydrophobicContact CG1-CE 4.31Å; V61-M65 HydrophobicContact CG1-CG 4.45Å; V61-M65 WeakPolarHBondContact O-CG 3.5Å; V61-M65 PolarHBondContact O-N 2.89Å
62S84.5Confident86.5Confident39 Ų3982 Ų8227%0.27343%0.43SS..Hα-helixtrans-58.4-41.2172-53.70000111.1P58 N59 M65 Q66P58-S62 PolarHBondContact O-N 2.82Å; N59-S62 PolarHBondContact O-N 3.35Å; S62-M65 PolarHBondContact O-N 2.93Å; S62-Q66 VanDerWaalsContact O-CG 3.3Å; S62-Q66 WeakPolarHBondContact O-CG 3.28Å; S62-Q66 PolarHBondContact O-N 3.45Å
63Y87.3Confident87.2Confident107 Ų10778 Ų7842%0.4242%0.42SS..Hα-helixtrans-62.9-42.9172.1179.4-94.1000112.1N59 V61 M65 Q66 N67 S70 F71N59-Y63 WeakPolarHBondContact O-CB 3.38Å; N59-Y63 PolarHBondContact O-N 3.24Å; V61-Y63 VanDerWaalsContact C-N 3.25Å; V61-Y63 PolarHBondContact O-N 3.12Å; Y63-M65 VanDerWaalsContact C-N 3.3Å; Y63-M65 PolarHBondContact O-N 3.41Å; Y63-Q66 PolarHBondContact O-N 3.41Å; Y63-N67 HydrophobicContact CE1-CB 4.33Å; Y63-N67 HydrophobicContact CE2-CB 4.27Å; Y63-N67 PolarHBondContact O-N 2.97Å; Y63-S70 PolarHBondContact OH-OG 3.22Å; Y63-F71 HydrophobicContact CD1-CD2 4.09Å; Y63-F71 HydrophobicContact CE1-CB 4.45Å; Y63-F71 HydrophobicContact CE1-CD2 4.49Å
64A87.9Confident87.6Confident2 Ų278.2 Ų78.22%0.01742%0.42CS..Hα-helixtrans-59.9-39.9176.100000112.3T43 F60 V61 N67 K68 F71T43-A64 HydrophobicContact CG2-CB 4.1Å; F60-A64 WeakPolarHBondContact O-CB 3.33Å; F60-A64 PolarHBondContact O-N 3.09Å; V61-A64 CarbonylContact O-C 3.6Å; V61-A64 WeakPolarHBondContact O-CA 3.33Å; V61-A64 WeakPolarHBondContact O-CB 3.47Å; V61-A64 PolarHBondContact O-N 2.92Å; A64-N67 CarbonylContact O-C 3.59Å; A64-K68 VanDerWaalsContact O-CA 3.23Å; A64-K68 WeakPolarHBondContact O-CA 3.41Å; A64-K68 WeakPolarHBondContact O-CG 3.29Å; A64-K68 PolarHBondContact O-N 3.45Å; A64-F71 HydrophobicContact CB-CB 4.09Å; A64-F71 HydrophobicContact CB-CD1 3.54Å; A64-F71 HydrophobicContact CB-CD2 3.63Å; A64-F71 HydrophobicContact CB-CE1 3.76Å; A64-F71 HydrophobicContact CB-CE2 3.85Å; A64-F71 HydrophobicContact CB-CG 3.45Å; A64-F71 VanDerWaalsContact CB-CG 3.45Å; A64-F71 HydrophobicContact CB-CZ 3.9Å
65M83.4Confident88.1Confident53 Ų5376.1 Ų76.126%0.26139%0.394SS..Hα-helixtrans-72.1-36.9178.5-66.1-58.1139.100112.6V61 S62 Y63V61-M65 HydrophobicContact CG1-CE 4.31Å; V61-M65 HydrophobicContact CG1-CG 4.45Å; V61-M65 WeakPolarHBondContact O-CG 3.5Å; V61-M65 PolarHBondContact O-N 2.89Å; S62-M65 PolarHBondContact O-N 2.93Å; Y63-M65 VanDerWaalsContact C-N 3.3Å; Y63-M65 PolarHBondContact O-N 3.41Å
66Q89.3Confident88.6Confident150 Ų15072.2 Ų72.270%0.70138%0.38SS*.Hα-helixtrans-72.7-39.5175.9-70.4174.639.900112.4S62 Y63S62-Q66 VanDerWaalsContact O-CG 3.3Å; S62-Q66 WeakPolarHBondContact O-CG 3.28Å; S62-Q66 PolarHBondContact O-N 3.45Å; Y63-Q66 PolarHBondContact O-N 3.41Å
67N91.8Very high89.2Confident73 Ų7371 Ų7139%0.3937%0.367SS..SBendtrans-12660.1-172.6-67.4-69.1000111.8Y63 A64 V69 S70 F71Y63-N67 HydrophobicContact CE1-CB 4.33Å; Y63-N67 HydrophobicContact CE2-CB 4.27Å; Y63-N67 PolarHBondContact O-N 2.97Å; A64-N67 CarbonylContact O-C 3.59Å; N67-V69 PolarHBondContact O-N 3.16Å; N67-S70 PolarHBondContact O-N 2.89Å; N67-F71 WeakPolarHBondContact O-CB 3.16Å; N67-F71 PolarHBondContact O-N 2.97Å
68K90.2Very high89.8Confident83 Ų8373.3 Ų73.336%0.36138%0.377SS..Hα-helixtrans-50.5-49.9-174.2-62.5-173.4176.6-163.20113.5T43 V44 A64 F71 C72T43-K68 HydrophobicContact CG2-CB 4.38Å; T43-K68 HydrophobicContact CG2-CG 4.44Å; V44-K68 PolarHBondContact O-NZ 3.13Å; A64-K68 VanDerWaalsContact O-CA 3.23Å; A64-K68 WeakPolarHBondContact O-CA 3.41Å; A64-K68 WeakPolarHBondContact O-CG 3.29Å; A64-K68 PolarHBondContact O-N 3.45Å; K68-F71 PolarHBondContact O-N 3.35Å; K68-C72 WeakPolarHBondContact O-CB 3.45Å; K68-C72 PolarHBondContact O-N 3.5Å; K68-C72 PolarHBondContact O-SG 3.22Å
69V91.6Very high90.2Very high123 Ų12372.5 Ų72.575%0.74538%0.375SS*.Hα-helixtrans-64.4-48.7-176.8179.30000111.4N67 F71 C72 L73N67-V69 PolarHBondContact O-N 3.16Å; V69-F71 PolarHBondContact O-N 2.96Å; V69-C72 PolarHBondContact O-N 2.87Å; V69-L73 WeakPolarHBondContact O-CB 3.47Å; V69-L73 PolarHBondContact O-N 2.91Å
70S92.3Very high90.6Very high53 Ų5368.2 Ų68.237%0.37135%0.352SS..Hα-helixtrans-61.5-44.4179.6178.70000111.4Y63 N67 L73 M74Y63-S70 PolarHBondContact OH-OG 3.22Å; N67-S70 PolarHBondContact O-N 2.89Å; S70-L73 PolarHBondContact O-N 3.36Å; S70-M74 WeakPolarHBondContact O-CB 3.33Å; S70-M74 PolarHBondContact O-N 2.87Å
71F92.8Very high91Very high33 Ų3366.9 Ų66.915%0.14535%0.353CS..Hα-helixtrans-65.3-42.9178.5-175.9-92.3000112.6I39 T43 Y63 A64 N67 K68 V69 L73 M74 T75I39-F71 HydrophobicContact CG2-CE1 4Å; T43-F71 HydrophobicContact CG2-CD1 3.87Å; Y63-F71 HydrophobicContact CD1-CD2 4.09Å; Y63-F71 HydrophobicContact CE1-CB 4.45Å; Y63-F71 HydrophobicContact CE1-CD2 4.49Å; A64-F71 HydrophobicContact CB-CB 4.09Å; A64-F71 HydrophobicContact CB-CD1 3.54Å; A64-F71 HydrophobicContact CB-CD2 3.63Å; A64-F71 HydrophobicContact CB-CE1 3.76Å; A64-F71 HydrophobicContact CB-CE2 3.85Å; A64-F71 HydrophobicContact CB-CG 3.45Å; A64-F71 VanDerWaalsContact CB-CG 3.45Å; A64-F71 HydrophobicContact CB-CZ 3.9Å; N67-F71 WeakPolarHBondContact O-CB 3.16Å; N67-F71 PolarHBondContact O-N 2.97Å; K68-F71 PolarHBondContact O-N 3.35Å; V69-F71 PolarHBondContact O-N 2.96Å; F71-L73 VanDerWaalsContact C-N 3.35Å; F71-L73 PolarHBondContact O-N 3.01Å; F71-M74 PolarHBondContact O-N 3Å; F71-T75 WeakPolarHBondContact CE1-OG1 3.43Å; F71-T75 WeakPolarHBondContact O-CB 3.04Å; F71-T75 PolarHBondContact O-N 2.97Å; F71-T75 PolarHBondContact O-OG1 2.82Å
72C92.6Very high91.4Very high18 Ų1870.4 Ų70.412%0.12237%0.37CS..Hα-helixtrans-62.4-43.1176.7-69.70000111.3I40 K68 V69 T75 F76I40-C72 HydrophobicContact CG2-CB 4.33Å; K68-C72 WeakPolarHBondContact O-CB 3.45Å; K68-C72 PolarHBondContact O-N 3.5Å; K68-C72 PolarHBondContact O-SG 3.22Å; V69-C72 PolarHBondContact O-N 2.87Å; C72-T75 PolarHBondContact O-N 3.4Å; C72-F76 VanDerWaalsContact O-CB 3.3Å; C72-F76 WeakPolarHBondContact O-CB 3.27Å; C72-F76 PolarHBondContact O-N 2.84Å
73L94.2Very high91.7Very high99 Ų9969.8 Ų69.852%0.51836%0.363SS..Hα-helixtrans-62.7-47.2176.1-177.465.4000111.4V69 S70 F71 T75 F76 L77V69-L73 WeakPolarHBondContact O-CB 3.47Å; V69-L73 PolarHBondContact O-N 2.91Å; S70-L73 PolarHBondContact O-N 3.36Å; F71-L73 VanDerWaalsContact C-N 3.35Å; F71-L73 PolarHBondContact O-N 3.01Å; L73-T75 PolarHBondContact O-N 2.83Å; L73-F76 PolarHBondContact O-N 3.23Å; L73-L77 HydrophobicContact CD1-CD1 4.16Å; L73-L77 HydrophobicContact CD1-CG 4.23Å; L73-L77 HydrophobicContact CG-CD1 3.98Å; L73-L77 HydrophobicContact CG-CG 4.4Å; L73-L77 WeakPolarHBondContact O-CB 3.39Å; L73-L77 VanDerWaalsContact O-CG 3.29Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 3.37Å
74M93.2Very high91.8Very high105 Ų10566.4 Ų66.452%0.51736%0.361SS..Hα-helixtrans-59.7-46.5177.3-174.966.379.900111.4S70 F71 F76 L77 L78S70-M74 WeakPolarHBondContact O-CB 3.33Å; S70-M74 PolarHBondContact O-N 2.87Å; F71-M74 PolarHBondContact O-N 3Å; M74-F76 VanDerWaalsContact C-N 3.33Å; M74-F76 PolarHBondContact O-N 3.09Å; M74-L77 PolarHBondContact O-N 3.22Å; M74-L78 HydrophobicContact CG-CD1 3.77Å; M74-L78 HydrophobicContact CG-CG 4.24Å; M74-L78 WeakPolarHBondContact O-CB 3.34Å; M74-L78 VanDerWaalsContact O-CG 3.32Å; M74-L78 WeakPolarHBondContact O-CG 3.17Å; M74-L78 PolarHBondContact O-N 2.85Å; M74-L78 HydrophobicContact SD-CD1 3.94Å; M74-L78 HydrophobicContact SD-CG 4.01Å
75T92.6Very high91.8Very high24 Ų2473 Ų7315%0.14739%0.392CS..Hα-helixtrans-61.1-42.8177.5-58.70000111.3K36 I39 I40 F71 C72 L73 G79K36-T75 HydrophobicContact CG-CG2 4.48Å; I39-T75 HydrophobicContact CB-CG2 4.48Å; I39-T75 HydrophobicContact CG2-CG2 4.08Å; I40-T75 HydrophobicContact CG1-CG2 4.18Å; F71-T75 WeakPolarHBondContact CE1-OG1 3.43Å; F71-T75 WeakPolarHBondContact O-CB 3.04Å; F71-T75 PolarHBondContact O-N 2.97Å; F71-T75 PolarHBondContact O-OG1 2.82Å; C72-T75 PolarHBondContact O-N 3.4Å; L73-T75 PolarHBondContact O-N 2.83Å; T75-G79 WeakPolarHBondContact O-CA 3.07Å; T75-G79 PolarHBondContact O-N 3.25Å
76F94.1Very high91.9Very high78 Ų7872.1 Ų72.134%0.34239%0.388SS..Hα-helixtrans-63.3-49.4176.7178.5-105.3000111.7K36 I40 C72 L73 M74 G79 N80K36-F76 HydrophobicContact CD-CD2 4.47Å; I40-F76 HydrophobicContact CD1-CB 4.09Å; I40-F76 HydrophobicContact CD1-CD2 4.49Å; C72-F76 VanDerWaalsContact O-CB 3.3Å; C72-F76 WeakPolarHBondContact O-CB 3.27Å; C72-F76 PolarHBondContact O-N 2.84Å; L73-F76 PolarHBondContact O-N 3.23Å; M74-F76 VanDerWaalsContact C-N 3.33Å; M74-F76 PolarHBondContact O-N 3.09Å; F76-G79 PolarHBondContact O-N 3.46Å; F76-N80 VanDerWaalsContact CD1-ND2 3.33Å; F76-N80 WeakPolarHBondContact CD1-ND2 3.47Å; F76-N80 WeakPolarHBondContact CE1-ND2 3.48Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.43Å; F76-N80 WeakPolarHBondContact CZ-ND2 3.49Å; F76-N80 WeakPolarHBondContact O-CB 3.32Å; F76-N80 PolarHBondContact O-N 2.78Å; F76-N80 PolarHBondContact O-ND2 3.03Å
77L95.8Very high91.7Very high91 Ų9168.2 Ų68.248%0.47637%0.372SS..Hα-helixtrans-64.4-51-179-70.2176.3000111.9L73 M74 G79 N80 V81L73-L77 HydrophobicContact CD1-CD1 4.16Å; L73-L77 HydrophobicContact CD1-CG 4.23Å; L73-L77 HydrophobicContact CG-CD1 3.98Å; L73-L77 HydrophobicContact CG-CG 4.4Å; L73-L77 WeakPolarHBondContact O-CB 3.39Å; L73-L77 VanDerWaalsContact O-CG 3.29Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 3.37Å; M74-L77 PolarHBondContact O-N 3.22Å; L77-G79 VanDerWaalsContact C-N 3.3Å; L77-G79 PolarHBondContact O-N 3.48Å; L77-N80 PolarHBondContact O-N 3.42Å; L77-V81 WeakPolarHBondContact O-CG2 3.1Å; L77-V81 PolarHBondContact O-N 2.98Å
78L94.7Very high91.3Very high98 Ų9868.3 Ų68.351%0.51338%0.378SS..Hα-helixtrans-60.6-42.7177.4-70.1177.5000111.3M74 N80 V81 I82M74-L78 HydrophobicContact CG-CD1 3.77Å; M74-L78 HydrophobicContact CG-CG 4.24Å; M74-L78 WeakPolarHBondContact O-CB 3.34Å; M74-L78 VanDerWaalsContact O-CG 3.32Å; M74-L78 WeakPolarHBondContact O-CG 3.17Å; M74-L78 PolarHBondContact O-N 2.85Å; M74-L78 HydrophobicContact SD-CD1 3.94Å; M74-L78 HydrophobicContact SD-CG 4.01Å; L78-N80 PolarHBondContact O-N 3.41Å; L78-V81 PolarHBondContact O-N 2.83Å; L78-I82 WeakPolarHBondContact O-CG1 3.49Å; L78-I82 PolarHBondContact O-N 3Å
79G93.2Very high90.8Very high17 Ų1765.9 Ų65.918%0.17537%0.37CS..Hα-helixtrans-59-45.4175.400000112.3T75 F76 L77 V81 I82 E83T75-G79 WeakPolarHBondContact O-CA 3.07Å; T75-G79 PolarHBondContact O-N 3.25Å; F76-G79 PolarHBondContact O-N 3.46Å; L77-G79 VanDerWaalsContact C-N 3.3Å; L77-G79 PolarHBondContact O-N 3.48Å; G79-V81 PolarHBondContact O-N 2.87Å; G79-I82 PolarHBondContact O-N 3.15Å; G79-E83 WeakPolarHBondContact O-CB 3.35Å; G79-E83 PolarHBondContact O-N 3.4Å
80N93.2Very high90.2Very high57 Ų5762.2 Ų62.231%0.30536%0.357SS..Hα-helixtrans-65.7-36.6177.1-70.4-33.7000112.8K36 F76 L77 L78 G84K36-N80 PolarHBondContact NZ-OD1 2.93Å; F76-N80 VanDerWaalsContact CD1-ND2 3.33Å; F76-N80 WeakPolarHBondContact CD1-ND2 3.47Å; F76-N80 WeakPolarHBondContact CE1-ND2 3.48Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.43Å; F76-N80 WeakPolarHBondContact CZ-ND2 3.49Å; F76-N80 WeakPolarHBondContact O-CB 3.32Å; F76-N80 PolarHBondContact O-N 2.78Å; F76-N80 PolarHBondContact O-ND2 3.03Å; L77-N80 PolarHBondContact O-N 3.42Å; L78-N80 PolarHBondContact O-N 3.41Å; N80-G84 PolarHBondContact O-N 2.85Å
81V93.4Very high89.7Confident89 Ų8960.6 Ų60.654%0.53935%0.347SS..Hα-helixtrans-62.2-50174.51710000109.9L77 L78 G79 G84 Q85L77-V81 WeakPolarHBondContact O-CG2 3.1Å; L77-V81 PolarHBondContact O-N 2.98Å; L78-V81 PolarHBondContact O-N 2.83Å; G79-V81 PolarHBondContact O-N 2.87Å; V81-G84 PolarHBondContact O-N 2.92Å; V81-Q85 VanDerWaalsContact O-CG 3.27Å; V81-Q85 WeakPolarHBondContact O-CG 3.25Å; V81-Q85 PolarHBondContact O-N 3.03Å
82I92Very high89.3Confident86 Ų8662.6 Ų62.644%0.44136%0.356SS..Hα-helixtrans-63.7-47.4-179.9-64.1166.5000110.7L32 L78 G79 G84 Q85 L86L32-I82 HydrophobicContact CD1-CG2 3.8Å; L78-I82 WeakPolarHBondContact O-CG1 3.49Å; L78-I82 PolarHBondContact O-N 3Å; G79-I82 PolarHBondContact O-N 3.15Å; I82-G84 VanDerWaalsContact C-N 3.32Å; I82-G84 PolarHBondContact O-N 3.26Å; I82-Q85 PolarHBondContact O-N 3.27Å; I82-Q85 VanDerWaalsContact O-N 3.13Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 WeakPolarHBondContact O-CD1 3.5Å; I82-L86 PolarHBondContact O-N 2.93Å
83E90.5Very high88.9Confident26 Ų2663.4 Ų63.412%0.12136%0.358CS..Hα-helixtrans-56.1-45.9176.3-174.1177.5170.600111.3A29 Q33 K36 G79 Q85 L86 L87A29-E83 HydrophobicContact CB-CG 4.35Å; Q33-E83 PolarHBondContact NE2-OE1 3.34Å; K36-E83 IonicContact NZ-OE2 3.8Å; K36-E83 PolarHBondContact NZ-OE2 3.3Å; G79-E83 WeakPolarHBondContact O-CB 3.35Å; G79-E83 PolarHBondContact O-N 3.4Å; E83-Q85 PolarHBondContact O-N 3.28Å; E83-L86 PolarHBondContact O-N 3.35Å; E83-L87 HydrophobicContact CG-CD1 4.12Å; E83-L87 WeakPolarHBondContact O-CG 3.25Å; E83-L87 PolarHBondContact O-N 2.91Å
84G88.7Confident88.3Confident37 Ų3760.3 Ų60.338%0.38134%0.341SS..Hα-helixtrans-61.8-39.4175.500000113.2N80 V81 I82 S88N80-G84 PolarHBondContact O-N 2.85Å; V81-G84 PolarHBondContact O-N 2.92Å; I82-G84 VanDerWaalsContact C-N 3.32Å; I82-G84 PolarHBondContact O-N 3.26Å; G84-S88 VanDerWaalsContact O-CB 3.25Å; G84-S88 WeakPolarHBondContact O-CB 3.35Å; G84-S88 PolarHBondContact O-N 2.73Å
85Q88.1Confident87.9Confident140 Ų14061.2 Ų61.265%0.65434%0.34SS*.Hα-helixtrans-67.3-35.3175.6-67.6-64.7-23.200112.5V81 I82 E83V81-Q85 VanDerWaalsContact O-CG 3.27Å; V81-Q85 WeakPolarHBondContact O-CG 3.25Å; V81-Q85 PolarHBondContact O-N 3.03Å; I82-Q85 PolarHBondContact O-N 3.27Å; I82-Q85 VanDerWaalsContact O-N 3.13Å; E83-Q85 PolarHBondContact O-N 3.28Å
86L86.1Confident87.5Confident34 Ų3461 Ų6118%0.17834%0.338CS..Hα-helixtrans-71.8-38.8177.6-92.672.2000112.5R25 L28 A29 L32 I82 E83R25-L86 WeakPolarHBondContact CD-O 3.43Å; L28-L86 HydrophobicContact CB-CD2 3.9Å; L28-L86 HydrophobicContact CD2-CD2 3.56Å; L28-L86 HydrophobicContact CG-CD2 3.56Å; A29-L86 HydrophobicContact CB-CB 4.24Å; A29-L86 HydrophobicContact CB-CD2 4.35Å; L32-L86 HydrophobicContact CD1-CD2 3.74Å; I82-L86 HydrophobicContact CG2-CD1 3.79Å; I82-L86 WeakPolarHBondContact O-CD1 3.5Å; I82-L86 PolarHBondContact O-N 2.93Å; E83-L86 PolarHBondContact O-N 3.35Å
87L85.3Confident86.9Confident69 Ų6961.8 Ų61.836%0.36135%0.346SS..Hα-helixtrans-77.5-26.2179.3-65.5175.2000112P21 A29 E83 T89P21-L87 HydrophobicContact CB-CD2 4.49Å; P21-L87 HydrophobicContact CG-CD2 3.75Å; A29-L87 HydrophobicContact CB-CD2 3.77Å; A29-L87 HydrophobicContact CB-CG 3.99Å; E83-L87 HydrophobicContact CG-CD1 4.12Å; E83-L87 WeakPolarHBondContact O-CG 3.25Å; E83-L87 PolarHBondContact O-N 2.91Å; L87-T89 PolarHBondContact O-N 3.04Å
88S82.3Confident86.2Confident75 Ų7565 Ų6552%0.52436%0.363SS..  trans-72.4114.5174.5-1630000110.9G84G84-S88 VanDerWaalsContact O-CB 3.25Å; G84-S88 WeakPolarHBondContact O-CB 3.35Å; G84-S88 PolarHBondContact O-N 2.73Å
89T80.1Confident85.6Confident31 Ų3164.6 Ų64.619%0.1936%0.361CS..  trans-90.9-19.2-178.453.10000113.3Y19 P21 L87 A91Y19-T89 HydrophobicContact CD1-CG2 4.05Å; Y19-T89 PolarHBondContact O-OG1 3.17Å; P21-T89 HydrophobicContact CB-CG2 3.94Å; L87-T89 PolarHBondContact O-N 3.04Å; T89-A91 PolarHBondContact O-N 2.84Å
90G78.7Confident85.2Confident46 Ų4667.7 Ų67.747%0.47438%0.378SS..  trans62.16.1-173.300000114.4K104G90-K104 PolarHBondContact O-NZ 3.07Å
91A82.1Confident84.7Confident19 Ų1965.8 Ų65.816%0.15737%0.368CS..  trans-79.4149.5-179.100000110.3Y19 T89 L105Y19-A91 HydrophobicContact CD1-CB 3.37Å; Y19-A91 HydrophobicContact CD2-CB 4.21Å; Y19-A91 HydrophobicContact CE1-CB 3.84Å; Y19-A91 HydrophobicContact CG-CB 3.54Å; T89-A91 PolarHBondContact O-N 2.84Å; A91-L105 HydrophobicContact CB-CD1 4.35Å; A91-L105 HydrophobicContact CB-CD2 3.89Å; A91-L105 HydrophobicContact CB-CG 4.16Å
92F83.2Confident84.3Confident76 Ų7662.8 Ų62.833%0.33335%0.347SS..  trans-142.8116.1174.3179.5-98.8000107.1I94 K104 P111F92-I94 HydrophobicContact CD1-CG1 4.47Å; F92-I94 HydrophobicContact CE1-CD1 3.58Å; F92-I94 HydrophobicContact CE1-CG1 3.66Å; F92-I94 HydrophobicContact CZ-CD1 3.88Å; F92-I94 HydrophobicContact CZ-CG1 3.87Å; F92-K104 HydrophobicContact CB-CB 3.97Å; F92-K104 HydrophobicContact CB-CD 4.07Å; F92-K104 WeakPolarHBondContact O-CB 3.36Å; F92-K104 PolarHBondContact O-N 3.39Å; F92-P111 HydrophobicContact CE1-CG 4.43Å
93E84.3Confident83.9Confident35 Ų3559.1 Ų59.116%0.16433%0.329CS..EExtended strand (participates in β ladder)trans-128.8144.1-178.3-57.9-159.4148.700109.3Y19 Y95 W102 S103Y19-E93 HydrophobicContact CD2-CG 4.06Å; Y19-E93 HydrophobicContact CE2-CG 3.9Å; Y19-E93 WeakPolarHBondContact CE2-OE2 3.31Å; E93-Y95 HydrophobicContact CB-CD2 4.36Å; E93-Y95 HydrophobicContact CB-CE2 3.64Å; E93-Y95 PolarHBondContact OE2-OH 3.15Å; E93-W102 CarbonylContact C-O 3.51Å; E93-W102 VanDerWaalsContact CA-O 3.29Å; E93-W102 WeakPolarHBondContact CA-O 3.24Å; E93-S103 VanDerWaalsContact OE1-CB 3.31Å; E93-S103 WeakPolarHBondContact OE1-CB 3.35Å; E93-S103 PolarHBondContact OE1-OG 3.47Å
94I83.1Confident83.7Confident34 Ų3461.2 Ų61.217%0.17434%0.338CS..EExtended strand (participates in β ladder)trans-121.8127.4176.5-57.9175.1000106.7F92 V101 W102 P111 L116F92-I94 HydrophobicContact CD1-CG1 4.47Å; F92-I94 HydrophobicContact CE1-CD1 3.58Å; F92-I94 HydrophobicContact CE1-CG1 3.66Å; F92-I94 HydrophobicContact CZ-CD1 3.88Å; F92-I94 HydrophobicContact CZ-CG1 3.87Å; I94-V101 HydrophobicContact CB-CG2 3.88Å; I94-V101 HydrophobicContact CG2-CG2 3.6Å; I94-V101 VanDerWaalsContact O-CG2 3.24Å; I94-V101 WeakPolarHBondContact O-CG2 3.08Å; I94-V101 PolarHBondContact O-N 3.29Å; I94-W102 HydrophobicContact CB-CB 4.29Å; I94-W102 HydrophobicContact CD1-CB 4.48Å; I94-W102 PolarHBondContact N-O 3.16Å; I94-W102 PolarHBondContact O-N 3.15Å; I94-P111 HydrophobicContact CD1-CG 4.18Å; I94-L116 HydrophobicContact CD1-CD1 3.52Å; I94-L116 HydrophobicContact CD1-CD2 3.77Å; I94-L116 HydrophobicContact CD1-CG 4.28Å; I94-L116 HydrophobicContact CG2-CD1 4.26Å
95Y84.7Confident83.3Confident124 Ų12463.6 Ų63.649%0.48634%0.341SS..EExtended strand (participates in β ladder)trans-111.2144.4176.3-65.7-97.6000109.3E93 I99 P100E93-Y95 HydrophobicContact CB-CD2 4.36Å; E93-Y95 HydrophobicContact CB-CE2 3.64Å; E93-Y95 PolarHBondContact OE2-OH 3.15Å; Y95-I99 CarbonylContact C-O 3.52Å; Y95-I99 WeakPolarHBondContact CA-O 2.93Å; Y95-P100 HydrophobicContact CD1-CB 4.05Å; Y95-P100 HydrophobicContact CE1-CB 3.78Å; Y95-P100 HydrophobicContact CE1-CG 4.4Å
96L83.1Confident82.9Confident19 Ų1966.2 Ų66.210%0.09935%0.347CS..EExtended strand (participates in β ladder)trans-131.4114.9174.5-169.375.1000107.7F12 D98 I99 V101 I120 H123F12-L96 HydrophobicContact CD1-CD1 3.88Å; F12-L96 HydrophobicContact CE1-CD1 3.33Å; F12-L96 HydrophobicContact CE1-CG 4.36Å; F12-L96 HydrophobicContact CZ-CD1 4.21Å; L96-D98 VanDerWaalsContact C-N 3.29Å; L96-D98 PolarHBondContact O-N 2.56Å; L96-I99 PolarHBondContact N-O 2.83Å; L96-I99 WeakPolarHBondContact O-CB 3.29Å; L96-I99 PolarHBondContact O-N 3.06Å; L96-V101 HydrophobicContact CB-CG1 3.51Å; L96-V101 HydrophobicContact CB-CG2 4.4Å; L96-V101 HydrophobicContact CD2-CG1 4.29Å; L96-I120 HydrophobicContact CD2-CG2 4.46Å; L96-H123 HydrophobicContact CD2-CB 3.46Å; L96-H123 VanDerWaalsContact CD2-CB 3.46Å
97D82.8Confident82.8Confident95 Ų9567.1 Ų67.151%0.50835%0.354SS..THydrogen-bonded Turntrans48.749.8-173.4-60.8-26.6000111.8I99 R127D97-I99 PolarHBondContact O-N 2.9Å; D97-I99 VanDerWaalsContact O-N 3.09Å; D97-R127 IonicContact OD1-NH1 3.71Å; D97-R127 IonicContact OD2-CZ 3.82Å; D97-R127 IonicContact OD2-NH1 3.84Å; D97-R127 PolarHBondContact OD2-NH1 2.68Å
98D80.3Confident82.6Confident158 Ų15870.5 Ų70.585%0.84537%0.372SS*.THydrogen-bonded Turntrans64.72.7-176.6-56.8-49.7000116.7L96L96-D98 VanDerWaalsContact C-N 3.29Å; L96-D98 PolarHBondContact O-N 2.56Å
99I82.3Confident82.8Confident90 Ų9072.5 Ų72.546%0.46237%0.368SS..EExtended strand (participates in β ladder)trans-95.6126.1176.7-59.3170.3000109.5Y95 L96 D97 V101Y95-I99 CarbonylContact C-O 3.52Å; Y95-I99 WeakPolarHBondContact CA-O 2.93Å; L96-I99 PolarHBondContact N-O 2.83Å; L96-I99 WeakPolarHBondContact O-CB 3.29Å; L96-I99 PolarHBondContact O-N 3.06Å; D97-I99 PolarHBondContact O-N 2.9Å; D97-I99 VanDerWaalsContact O-N 3.09Å; I99-V101 PolarHBondContact O-N 2.88Å; I99-V101 VanDerWaalsContact O-N 3.15Å
100P84Confident83Confident82 Ų8275.8 Ų75.853%0.53238%0.384SS..EExtended strand (participates in β ladder)trans-68.8112.9176.827.5-33000110Y95Y95-P100 HydrophobicContact CD1-CB 4.05Å; Y95-P100 HydrophobicContact CE1-CB 3.78Å; Y95-P100 HydrophobicContact CE1-CG 4.4Å
101V84.6Confident83.2Confident17 Ų1773.9 Ų73.910%0.10336%0.363CS..EExtended strand (participates in β ladder)trans-95-25.8179.4-630000112.7I94 L96 I99 I119I94-V101 HydrophobicContact CB-CG2 3.88Å; I94-V101 HydrophobicContact CG2-CG2 3.6Å; I94-V101 VanDerWaalsContact O-CG2 3.24Å; I94-V101 WeakPolarHBondContact O-CG2 3.08Å; I94-V101 PolarHBondContact O-N 3.29Å; L96-V101 HydrophobicContact CB-CG1 3.51Å; L96-V101 HydrophobicContact CB-CG2 4.4Å; L96-V101 HydrophobicContact CD2-CG1 4.29Å; I99-V101 PolarHBondContact O-N 2.88Å; I99-V101 VanDerWaalsContact O-N 3.15Å; V101-I119 HydrophobicContact CB-CG2 3.82Å; V101-I119 HydrophobicContact CG1-CG2 4.4Å
102W84.8Confident83.4Confident25 Ų2578.3 Ų78.310%0.09538%0.38CS..EExtended strand (participates in β ladder)trans-148.4141.6174.5-166.3-88000110.7E93 I94 T107 R109 P111 I119E93-W102 CarbonylContact C-O 3.51Å; E93-W102 VanDerWaalsContact CA-O 3.29Å; E93-W102 WeakPolarHBondContact CA-O 3.24Å; I94-W102 HydrophobicContact CB-CB 4.29Å; I94-W102 HydrophobicContact CD1-CB 4.48Å; I94-W102 PolarHBondContact N-O 3.16Å; I94-W102 PolarHBondContact O-N 3.15Å; W102-T107 HydrophobicContact CD2-CG2 4.28Å; W102-T107 HydrophobicContact CH2-CG2 4.1Å; W102-T107 HydrophobicContact CZ2-CG2 3.71Å; W102-T107 HydrophobicContact CZ3-CG2 4.48Å; W102-T107 PolarHBondContact NE1-OG1 3.04Å; W102-T107 VanDerWaalsContact NE1-OG1 3.15Å; W102-R109 HydrophobicContact CZ2-CG 4.08Å; W102-R109 PolarHBondContact NE1-O 3Å; W102-P111 HydrophobicContact CD2-CB 3.73Å; W102-P111 HydrophobicContact CD2-CG 3.86Å; W102-P111 HydrophobicContact CE3-CB 4.08Å; W102-P111 HydrophobicContact CG-CB 4.23Å; W102-P111 HydrophobicContact CG-CG 3.8Å; W102-P111 HydrophobicContact CH2-CB 3.99Å; W102-P111 HydrophobicContact CZ2-CB 3.69Å; W102-P111 HydrophobicContact CZ2-CG 4.36Å; W102-P111 HydrophobicContact CZ3-CB 4.2Å; W102-P111 VanDerWaalsContact NE1-CD 3.33Å; W102-I119 HydrophobicContact CE3-CD1 3.45Å; W102-I119 VanDerWaalsContact CE3-CD1 3.45Å; W102-I119 HydrophobicContact CZ3-CD1 3.63Å
103S83.8Confident83.4Confident10 Ų1076.7 Ų76.77%0.0738%0.377CS..EExtended strand (participates in β ladder)trans-141.1126.7167.6167.10000110.3E93 L105 Y106 T107E93-S103 VanDerWaalsContact OE1-CB 3.31Å; E93-S103 WeakPolarHBondContact OE1-CB 3.35Å; E93-S103 PolarHBondContact OE1-OG 3.47Å; S103-L105 PolarHBondContact O-N 3.5Å; S103-L105 WeakPolarHBondContact OG-CB 3.27Å; S103-L105 PolarHBondContact OG-N 3.05Å; S103-Y106 PolarHBondContact O-N 3.22Å; S103-T107 PolarHBondContact O-N 3.12Å; S103-T107 VanDerWaalsContact O-N 3.15Å; S103-T107 PolarHBondContact O-OG1 3.37Å
104K85.7Confident83.4Confident69 Ų6981 Ų8130%0.340%0.398SS..Hα-helixtrans-62.5-24.9174.5-177.1-176.7170.7-162.60111.4G90 F92 Y106 T107 N108 I110G90-K104 PolarHBondContact O-NZ 3.07Å; F92-K104 HydrophobicContact CB-CB 3.97Å; F92-K104 HydrophobicContact CB-CD 4.07Å; F92-K104 WeakPolarHBondContact O-CB 3.36Å; F92-K104 PolarHBondContact O-N 3.39Å; K104-Y106 VanDerWaalsContact C-N 3.28Å; K104-Y106 PolarHBondContact O-N 3.02Å; K104-T107 WeakPolarHBondContact CA-OG1 3.35Å; K104-N108 VanDerWaalsContact O-CA 3.25Å; K104-N108 WeakPolarHBondContact O-CA 3.44Å; K104-N108 PolarHBondContact O-N 3.42Å; K104-I110 HydrophobicContact CD-CG1 4.18Å
105L80.5Confident83.4Confident87 Ų8782 Ų8246%0.45540%0.401SS..Hα-helixtrans-63.8-34.9179.6-61178.4000112.1Y19 A91 S103Y19-L105 HydrophobicContact CE1-CD1 4.32Å; A91-L105 HydrophobicContact CB-CD1 4.35Å; A91-L105 HydrophobicContact CB-CD2 3.89Å; A91-L105 HydrophobicContact CB-CG 4.16Å; S103-L105 PolarHBondContact O-N 3.5Å; S103-L105 WeakPolarHBondContact OG-CB 3.27Å; S103-L105 PolarHBondContact OG-N 3.05Å
106Y79.8Confident83.4Confident195 Ų19576.3 Ų76.377%0.76538%0.379SS*.Hα-helixtrans-92.1-40.1178.1-60.6-76.6000112.4S103 K104S103-Y106 PolarHBondContact O-N 3.22Å; K104-Y106 VanDerWaalsContact C-N 3.28Å; K104-Y106 PolarHBondContact O-N 3.02Å
107T83Confident83.4Confident54 Ų5477 Ų7733%0.33138%0.383SS..Hα-helixtrans-83.8-15.6-174.157.10000113.4W102 S103 K104 R109W102-T107 HydrophobicContact CD2-CG2 4.28Å; W102-T107 HydrophobicContact CH2-CG2 4.1Å; W102-T107 HydrophobicContact CZ2-CG2 3.71Å; W102-T107 HydrophobicContact CZ3-CG2 4.48Å; W102-T107 PolarHBondContact NE1-OG1 3.04Å; W102-T107 VanDerWaalsContact NE1-OG1 3.15Å; S103-T107 PolarHBondContact O-N 3.12Å; S103-T107 VanDerWaalsContact O-N 3.15Å; S103-T107 PolarHBondContact O-OG1 3.37Å; K104-T107 WeakPolarHBondContact CA-OG1 3.35Å; T107-R109 PolarHBondContact O-N 3.02Å; T107-R109 PolarHBondContact OG1-O 3.33Å; T107-R109 VanDerWaalsContact OG1-O 3.04Å
108N81.4Confident83.6Confident139 Ų13977.9 Ų77.974%0.74338%0.384SS*.SBendtrans53.413.7-172-71.9-71.9000114.7K104K104-N108 VanDerWaalsContact O-CA 3.25Å; K104-N108 WeakPolarHBondContact O-CA 3.44Å; K104-N108 PolarHBondContact O-N 3.42Å
109R86.6Confident83.8Confident117 Ų11772.1 Ų72.144%0.44235%0.352SS..SBendtrans-142.3155.4179.770.2-176.6179.41313.2111.2W102 T107 E115W102-R109 HydrophobicContact CZ2-CG 4.08Å; W102-R109 PolarHBondContact NE1-O 3Å; T107-R109 PolarHBondContact O-N 3.02Å; T107-R109 PolarHBondContact OG1-O 3.33Å; T107-R109 VanDerWaalsContact OG1-O 3.04Å; R109-E115 IonicContact CZ-OE1 3.61Å; R109-E115 VanDerWaalsContact CZ-OE1 3.25Å; R109-E115 IonicContact CZ-OE2 2.91Å; R109-E115 IonicContact NH1-OE1 3.35Å; R109-E115 PolarHBondContact NH1-OE1 3.37Å; R109-E115 IonicContact NH1-OE2 2.82Å; R109-E115 PolarHBondContact NH1-OE2 2.98Å; R109-E115 IonicContact NH2-OE1 3.52Å; R109-E115 PolarHBondContact NH2-OE1 2.88Å; R109-E115 IonicContact NH2-OE2 3.25Å
110I83.8Confident83.9Confident101 Ų10168.1 Ų68.152%0.51833%0.332SS..PPolyproline II helixtrans-81.4136169.7-62.6173.7000106.6M1 K104M1-I110 HydrophobicContact CE-CG2 4.4Å; K104-I110 HydrophobicContact CD-CG1 4.18Å
111P84.4Confident83.9Confident5 Ų565.9 Ų65.93%0.03232%0.316CS..PPolyproline II helixtrans-65.2147.9-177.422-21.9000109.9M1 F92 I94 W102 L116M1-P111 HydrophobicContact CE-CB 4.39Å; M1-P111 HydrophobicContact CE-CG 3.82Å; M1-P111 WeakPolarHBondContact CE-O 3.44Å; F92-P111 HydrophobicContact CE1-CG 4.43Å; I94-P111 HydrophobicContact CD1-CG 4.18Å; W102-P111 HydrophobicContact CD2-CB 3.73Å; W102-P111 HydrophobicContact CD2-CG 3.86Å; W102-P111 HydrophobicContact CE3-CB 4.08Å; W102-P111 HydrophobicContact CG-CB 4.23Å; W102-P111 HydrophobicContact CG-CG 3.8Å; W102-P111 HydrophobicContact CH2-CB 3.99Å; W102-P111 HydrophobicContact CZ2-CB 3.69Å; W102-P111 HydrophobicContact CZ2-CG 4.36Å; W102-P111 HydrophobicContact CZ3-CB 4.2Å; W102-P111 VanDerWaalsContact NE1-CD 3.33Å; P111-L116 HydrophobicContact CB-CB 4.47Å
112Q85.5Confident84Confident112 Ų11267.9 Ų67.952%0.52333%0.326SS..PPolyproline II helixtrans-70.7150166.3-65.5-176.9-7.800109.4E114 E115 L116Q112-E114 PolarHBondContact O-N 3Å; Q112-E114 VanDerWaalsContact O-N 3.16Å; Q112-E115 HydrophobicContact CB-CG 4.2Å; Q112-E115 PolarHBondContact N-OE2 3.09Å; Q112-E115 PolarHBondContact O-N 3.4Å; Q112-E115 VanDerWaalsContact O-N 3.12Å; Q112-L116 PolarHBondContact O-N 3.31Å
113P82.2Confident83.9Confident42 Ų4269.5 Ų69.527%0.27333%0.334SS..Hα-helixtrans-52.3-37.9179.5-27.335.4000113.7M1 I4 L116 L117M1-P113 HydrophobicContact SD-CB 4.46Å; M1-P113 HydrophobicContact SD-CG 4.37Å; I4-P113 HydrophobicContact CD1-CB 3.73Å; I4-P113 HydrophobicContact CD1-CG 4.13Å; P113-L116 PolarHBondContact O-N 3.1Å; P113-L117 WeakPolarHBondContact O-CG 3.34Å; P113-L117 PolarHBondContact O-N 3.22Å; P113-L117 VanDerWaalsContact O-N 3.07Å
114E84.6Confident83.8Confident127 Ų12770.4 Ų70.459%0.59334%0.339SS*.Hα-helixtrans-69-41.8-179.8-59.771.8-155.300111.8Q112 L117 H118Q112-E114 PolarHBondContact O-N 3Å; Q112-E114 VanDerWaalsContact O-N 3.16Å; E114-L117 PolarHBondContact O-N 3.01Å; E114-H118 PolarHBondContact O-N 3.34Å
115E83.5Confident83.6Confident53 Ų5372.2 Ų72.225%0.24835%0.347CS..Hα-helixtrans-62.1-45.2175.5-68.3178145.300110.6R109 Q112 L117 H118 I119R109-E115 IonicContact CZ-OE1 3.61Å; R109-E115 VanDerWaalsContact CZ-OE1 3.25Å; R109-E115 IonicContact CZ-OE2 2.91Å; R109-E115 IonicContact NH1-OE1 3.35Å; R109-E115 PolarHBondContact NH1-OE1 3.37Å; R109-E115 IonicContact NH1-OE2 2.82Å; R109-E115 PolarHBondContact NH1-OE2 2.98Å; R109-E115 IonicContact NH2-OE1 3.52Å; R109-E115 PolarHBondContact NH2-OE1 2.88Å; R109-E115 IonicContact NH2-OE2 3.25Å; Q112-E115 HydrophobicContact CB-CG 4.2Å; Q112-E115 PolarHBondContact N-OE2 3.09Å; Q112-E115 PolarHBondContact O-N 3.4Å; Q112-E115 VanDerWaalsContact O-N 3.12Å; E115-L117 PolarHBondContact O-N 2.97Å; E115-H118 PolarHBondContact O-N 3.3Å; E115-I119 WeakPolarHBondContact O-CG1 3.27Å; E115-I119 PolarHBondContact O-N 3.4Å
116L84.8Confident83.6Confident6 Ų673.4 Ų73.43%0.03135%0.353CS..Hα-helixtrans-60.5-46.1178178.860.6000111.3M1 V5 I94 P111 Q112 P113 H118 I119 I120M1-L116 HydrophobicContact CE-CD2 4.17Å; M1-L116 HydrophobicContact SD-CD2 3.65Å; V5-L116 HydrophobicContact CG2-CD2 4.12Å; I94-L116 HydrophobicContact CD1-CD1 3.52Å; I94-L116 HydrophobicContact CD1-CD2 3.77Å; I94-L116 HydrophobicContact CD1-CG 4.28Å; I94-L116 HydrophobicContact CG2-CD1 4.26Å; P111-L116 HydrophobicContact CB-CB 4.47Å; Q112-L116 PolarHBondContact O-N 3.31Å; P113-L116 PolarHBondContact O-N 3.1Å; L116-H118 VanDerWaalsContact C-N 3.29Å; L116-H118 PolarHBondContact O-N 3.38Å; L116-I119 PolarHBondContact O-N 2.73Å; L116-I120 HydrophobicContact CD1-CD1 3.97Å; L116-I120 HydrophobicContact CD1-CG1 4.28Å; L116-I120 HydrophobicContact CG-CD1 3.85Å; L116-I120 VanDerWaalsContact O-CG1 3.27Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 2.94Å
117L83.5Confident83.5Confident33 Ų3369.7 Ų69.717%0.17334%0.338CS..Hα-helixtrans-62.4-36.4177.6-73.9179.9000112.5I4 V5 K8 P113 E114 E115 D121I4-L117 HydrophobicContact CG2-CD1 3.62Å; I4-L117 HydrophobicContact CG2-CD2 4.19Å; I4-L117 HydrophobicContact CG2-CG 4.06Å; V5-L117 HydrophobicContact CG2-CD2 4.44Å; K8-L117 HydrophobicContact CB-CD2 4.32Å; K8-L117 HydrophobicContact CD-CD2 4.1Å; P113-L117 WeakPolarHBondContact O-CG 3.34Å; P113-L117 PolarHBondContact O-N 3.22Å; P113-L117 VanDerWaalsContact O-N 3.07Å; E114-L117 PolarHBondContact O-N 3.01Å; E115-L117 PolarHBondContact O-N 2.97Å; L117-D121 VanDerWaalsContact O-CB 3.27Å; L117-D121 WeakPolarHBondContact O-CB 3.26Å; L117-D121 PolarHBondContact O-N 3.46Å
118H85.6Confident83.1Confident114 Ų11471 Ų7153%0.52834%0.343SS..Hα-helixtrans-67.5-43177.4-175.371.4000111.9E114 E115 L116 D121 N122E114-H118 PolarHBondContact O-N 3.34Å; E115-H118 PolarHBondContact O-N 3.3Å; L116-H118 VanDerWaalsContact C-N 3.29Å; L116-H118 PolarHBondContact O-N 3.38Å; H118-D121 PolarHBondContact O-N 3.3Å; H118-N122 PolarHBondContact CD2-ND2 3.47Å; H118-N122 PolarHBondContact NE2-ND2 3.06Å; H118-N122 VanDerWaalsContact O-CG 3.27Å; H118-N122 PolarHBondContact O-N 3.01Å; H118-N122 PolarHBondContact O-ND2 3.35Å
119I84.4Confident82.8Confident36 Ų3667.6 Ų67.619%0.18533%0.33CS..Hα-helixtrans-63.1-45.6176.8-65.4166.1000110.6V101 W102 E115 L116 D121 N122 H123V101-I119 HydrophobicContact CB-CG2 3.82Å; V101-I119 HydrophobicContact CG1-CG2 4.4Å; W102-I119 HydrophobicContact CE3-CD1 3.45Å; W102-I119 VanDerWaalsContact CE3-CD1 3.45Å; W102-I119 HydrophobicContact CZ3-CD1 3.63Å; E115-I119 WeakPolarHBondContact O-CG1 3.27Å; E115-I119 PolarHBondContact O-N 3.4Å; L116-I119 PolarHBondContact O-N 2.73Å; I119-D121 VanDerWaalsContact C-N 3.34Å; I119-D121 PolarHBondContact O-N 3.42Å; I119-N122 PolarHBondContact O-N 2.88Å; I119-H123 PolarHBondContact O-CD2 3.39Å; I119-H123 PolarHBondContact O-N 3.3Å
120I84.5Confident82Confident6 Ų665.8 Ų65.83%0.03133%0.332CS..Hα-helixtrans-60-45.6175.8-66.1167.2000110.4V5 Y9 L96 L116 N122 H123 V124V5-I120 HydrophobicContact CG1-CD1 4.15Å; V5-I120 HydrophobicContact CG2-CD1 4.03Å; Y9-I120 HydrophobicContact CD2-CG2 4.11Å; Y9-I120 HydrophobicContact CE2-CG2 3.68Å; L96-I120 HydrophobicContact CD2-CG2 4.46Å; L116-I120 HydrophobicContact CD1-CD1 3.97Å; L116-I120 HydrophobicContact CD1-CG1 4.28Å; L116-I120 HydrophobicContact CG-CD1 3.85Å; L116-I120 VanDerWaalsContact O-CG1 3.27Å; L116-I120 WeakPolarHBondContact O-CG1 3.47Å; L116-I120 PolarHBondContact O-N 2.94Å; I120-N122 VanDerWaalsContact C-N 3.3Å; I120-N122 PolarHBondContact O-N 3.14Å; I120-H123 PolarHBondContact O-N 3.08Å; I120-V124 HydrophobicContact CG2-CG2 4.18Å; I120-V124 VanDerWaalsContact O-CG2 3.31Å; I120-V124 WeakPolarHBondContact O-CG2 3.32Å; I120-V124 PolarHBondContact O-N 3.42Å
121D85.4Confident81Confident35 Ų3567 Ų6719%0.18733%0.334CS..Hα-helixtrans-61-39.5179.8-166.335.6000112K8 Y9 L117 H118 I119 K125K8-D121 IonicContact NZ-OD2 2.73Å; Y9-D121 WeakPolarHBondContact OH-CA 3.41Å; Y9-D121 PolarHBondContact OH-OD1 2.99Å; Y9-D121 VanDerWaalsContact OH-OD1 3.09Å; L117-D121 VanDerWaalsContact O-CB 3.27Å; L117-D121 WeakPolarHBondContact O-CB 3.26Å; L117-D121 PolarHBondContact O-N 3.46Å; H118-D121 PolarHBondContact O-N 3.3Å; I119-D121 VanDerWaalsContact C-N 3.34Å; I119-D121 PolarHBondContact O-N 3.42Å; D121-K125 WeakPolarHBondContact O-CB 3.35Å; D121-K125 VanDerWaalsContact O-CG 3.24Å; D121-K125 WeakPolarHBondContact O-CG 3.24Å; D121-K125 PolarHBondContact O-N 2.74Å; D121-K125 WeakPolarHBondContact OD1-CE 3.36Å; D121-K125 IonicContact OD1-NZ 2.73Å; D121-K125 WeakPolarHBondContact OD2-CE 3.31Å; D121-K125 IonicContact OD2-NZ 2.74Å; D121-K125 PolarHBondContact OD2-NZ 3.2Å
122N85.4Confident80.1Confident59 Ų5971 Ų7132%0.31636%0.358SS..Hα-helixtrans-66.3-44.4175.1-68.2-19000111.7H118 I119 I120 K125 L126H118-N122 PolarHBondContact CD2-ND2 3.47Å; H118-N122 PolarHBondContact NE2-ND2 3.06Å; H118-N122 VanDerWaalsContact O-CG 3.27Å; H118-N122 PolarHBondContact O-N 3.01Å; H118-N122 PolarHBondContact O-ND2 3.35Å; I119-N122 PolarHBondContact O-N 2.88Å; I120-N122 VanDerWaalsContact C-N 3.3Å; I120-N122 PolarHBondContact O-N 3.14Å; N122-K125 PolarHBondContact O-N 3.4Å; N122-L126 VanDerWaalsContact O-CG 3.26Å; N122-L126 WeakPolarHBondContact O-CG 3.45Å; N122-L126 PolarHBondContact O-N 3.06Å
123H84.3Confident78.9Confident60 Ų6071.8 Ų71.828%0.27837%0.365SS..Hα-helixtrans-62.9-42176.6-90-87000112.6L96 I119 I120 L126 R127L96-H123 HydrophobicContact CD2-CB 3.46Å; L96-H123 VanDerWaalsContact CD2-CB 3.46Å; I119-H123 PolarHBondContact O-CD2 3.39Å; I119-H123 PolarHBondContact O-N 3.3Å; I120-H123 PolarHBondContact O-N 3.08Å; H123-L126 PolarHBondContact O-N 3.19Å; H123-R127 PolarHBondContact O-N 3.12Å
124V81.6Confident77.7Confident28 Ų2877.5 Ų77.517%0.1739%0.387CS..Hα-helixtrans-63.9-46.1177.2173.10000110.8Y9 F12 I120 L126 R127 D128Y9-V124 HydrophobicContact CE1-CG1 4.44Å; Y9-V124 HydrophobicContact CE1-CG2 4.35Å; F12-V124 HydrophobicContact CZ-CG2 3.99Å; I120-V124 HydrophobicContact CG2-CG2 4.18Å; I120-V124 VanDerWaalsContact O-CG2 3.31Å; I120-V124 WeakPolarHBondContact O-CG2 3.32Å; I120-V124 PolarHBondContact O-N 3.42Å; V124-L126 VanDerWaalsContact C-N 3.33Å; V124-L126 PolarHBondContact O-N 3.45Å; V124-R127 WeakPolarHBondContact O-CB 3.46Å; V124-R127 PolarHBondContact O-N 3.36Å; V124-R127 VanDerWaalsContact O-N 3.14Å; V124-D128 PolarHBondContact O-N 2.78Å
125K81.7Confident76.4Confident107 Ų10775.9 Ų75.947%0.46539%0.391SS..Hα-helixtrans-60.7-39.3177-75.3171.6-171162.70113.1D121 N122 D128 S129D121-K125 WeakPolarHBondContact O-CB 3.35Å; D121-K125 VanDerWaalsContact O-CG 3.24Å; D121-K125 WeakPolarHBondContact O-CG 3.24Å; D121-K125 PolarHBondContact O-N 2.74Å; D121-K125 WeakPolarHBondContact OD1-CE 3.36Å; D121-K125 IonicContact OD1-NZ 2.73Å; D121-K125 WeakPolarHBondContact OD2-CE 3.31Å; D121-K125 IonicContact OD2-NZ 2.74Å; D121-K125 PolarHBondContact OD2-NZ 3.2Å; N122-K125 PolarHBondContact O-N 3.4Å; K125-D128 PolarHBondContact O-N 2.99Å; K125-S129 WeakPolarHBondContact O-CB 3.4Å; K125-S129 PolarHBondContact O-N 3.49Å; K125-S129 PolarHBondContact O-OG 3.42Å
126L79.7Confident75.3Confident113 Ų11378.7 Ų78.759%0.59241%0.411SS*.Hα-helixtrans-63.5-43.5175.2-72.1171.1000110.8N122 H123 V124 D128 S129 T130N122-L126 VanDerWaalsContact O-CG 3.26Å; N122-L126 WeakPolarHBondContact O-CG 3.45Å; N122-L126 PolarHBondContact O-N 3.06Å; H123-L126 PolarHBondContact O-N 3.19Å; V124-L126 VanDerWaalsContact C-N 3.33Å; V124-L126 PolarHBondContact O-N 3.45Å; L126-D128 PolarHBondContact O-N 3.08Å; L126-S129 PolarHBondContact O-N 3.31Å; L126-T130 PolarHBondContact O-N 3.09Å; L126-T130 PolarHBondContact O-OG1 2.86Å; L126-T130 VanDerWaalsContact O-OG1 3.08Å
127R76.9Confident74Confident117 Ų11780.6 Ų80.644%0.44243%0.432SS..Hα-helixtrans-62-42.4177.6-162.117790163.77.5112.4D97 H123 V124 K131D97-R127 IonicContact OD1-NH1 3.71Å; D97-R127 IonicContact OD2-CZ 3.82Å; D97-R127 IonicContact OD2-NH1 3.84Å; D97-R127 PolarHBondContact OD2-NH1 2.68Å; H123-R127 PolarHBondContact O-N 3.12Å; V124-R127 WeakPolarHBondContact O-CB 3.46Å; V124-R127 PolarHBondContact O-N 3.36Å; V124-R127 VanDerWaalsContact O-N 3.14Å; R127-K131 PolarHBondContact O-N 3.45Å
128D76.5Confident72.7Confident81 Ų8184.8 Ų84.843%0.43346%0.461SS..Hα-helixtrans-69.6-38.8179.2-69.9-19.4000111.6V124 K125 L126 T130 K131 T132V124-D128 PolarHBondContact O-N 2.78Å; K125-D128 PolarHBondContact O-N 2.99Å; L126-D128 PolarHBondContact O-N 3.08Å; D128-T130 PolarHBondContact O-N 3.16Å; D128-K131 PolarHBondContact O-N 3.24Å; D128-T132 PolarHBondContact O-N 3.46Å; D128-T132 VanDerWaalsContact O-N 3.16Å; D128-T132 PolarHBondContact O-OG1 3.26Å
129S74.6Confident71.3Confident67 Ų6785.3 Ų85.347%0.46948%0.475SS..Hα-helixtrans-62.7-41.1176-580000112.2K125 L126 K131 T132 I133K125-S129 WeakPolarHBondContact O-CB 3.4Å; K125-S129 PolarHBondContact O-N 3.49Å; K125-S129 PolarHBondContact O-OG 3.42Å; L126-S129 PolarHBondContact O-N 3.31Å; S129-K131 VanDerWaalsContact C-N 3.33Å; S129-K131 PolarHBondContact O-N 2.98Å; S129-T132 PolarHBondContact O-N 3.15Å; S129-I133 PolarHBondContact O-N 3.46Å; S129-I133 VanDerWaalsContact O-N 3.15Å
130T69.3Low69.8Low80 Ų8095.4 Ų95.449%0.49153%0.528SS..Hα-helixtrans-64.2-36.9176.7-55.80000112.2L126 D128 I133 Q134L126-T130 PolarHBondContact O-N 3.09Å; L126-T130 PolarHBondContact O-OG1 2.86Å; L126-T130 VanDerWaalsContact O-OG1 3.08Å; D128-T130 PolarHBondContact O-N 3.16Å; T130-I133 PolarHBondContact O-N 3.25Å; T130-Q134 PolarHBondContact O-N 3.26Å; T130-Q134 VanDerWaalsContact O-N 3.13Å
131K62.2Low69.1Low126 Ų12699.9 Ų99.955%0.54855%0.553SS.*Hα-helixtrans-64.3-39.6174.8-74.2-176.3178.8-177.10112.2R127 D128 S129 Q134 S135R127-K131 PolarHBondContact O-N 3.45Å; D128-K131 PolarHBondContact O-N 3.24Å; S129-K131 VanDerWaalsContact C-N 3.33Å; S129-K131 PolarHBondContact O-N 2.98Å; K131-Q134 PolarHBondContact O-N 3.28Å; K131-S135 PolarHBondContact O-N 3.13Å; K131-S135 VanDerWaalsContact O-N 3.11Å
132T65.3Low68.2Low89 Ų89103.3 Ų103.355%0.54657%0.572SS.*Hα-helixtrans-64.3-43.1177.3-53.30000111.6D128 S129 Q134 S135 V136D128-T132 PolarHBondContact O-N 3.46Å; D128-T132 VanDerWaalsContact O-N 3.16Å; D128-T132 PolarHBondContact O-OG1 3.26Å; S129-T132 PolarHBondContact O-N 3.15Å; T132-Q134 PolarHBondContact O-N 3.33Å; T132-S135 PolarHBondContact O-N 3.47Å; T132-S135 PolarHBondContact O-OG 3.43Å; T132-V136 PolarHBondContact O-N 2.75Å
133I61.8Low67.2Low129 Ų129105.8 Ų105.866%0.66259%0.586SS**Hα-helixtrans-65.3-38.9179.1-63.3-179.5000111.6S129 T130 S135 V136S129-I133 PolarHBondContact O-N 3.46Å; S129-I133 VanDerWaalsContact O-N 3.15Å; T130-I133 PolarHBondContact O-N 3.25Å; I133-S135 VanDerWaalsContact C-N 3.33Å; I133-S135 PolarHBondContact O-N 3.11Å; I133-V136 PolarHBondContact O-N 3.45Å
134Q56.9Low66.2Low161 Ų161108.5 Ų108.575%0.75260%0.604SS**Hα-helixtrans-72.6-23.2177.3-70.6-166.4-11.500113.9T130 K131 T132 V136T130-Q134 PolarHBondContact O-N 3.26Å; T130-Q134 VanDerWaalsContact O-N 3.13Å; K131-Q134 PolarHBondContact O-N 3.28Å; T132-Q134 PolarHBondContact O-N 3.33Å; Q134-V136 VanDerWaalsContact C-N 3.3Å
135S57.7Low65.3Low94 Ų94113.5 Ų113.566%0.65763%0.631SS**Hα-helixtrans-75.7-16.5173.769.60000114K131 T132 I133 G137K131-S135 PolarHBondContact O-N 3.13Å; K131-S135 VanDerWaalsContact O-N 3.11Å; T132-S135 PolarHBondContact O-N 3.47Å; T132-S135 PolarHBondContact O-OG 3.43Å; I133-S135 VanDerWaalsContact C-N 3.33Å; I133-S135 PolarHBondContact O-N 3.11Å; S135-G137 VanDerWaalsContact C-N 3.28Å; S135-G137 PolarHBondContact O-N 3.14Å; S135-G137 VanDerWaalsContact O-N 3.14Å
136V59.7Low64.2Low111 Ų111113.9 Ų113.967%0.67364%0.643SS**SBendtrans-87.876.3170.5-172.50000107.4T132 I133 Q134T132-V136 PolarHBondContact O-N 2.75Å; I133-V136 PolarHBondContact O-N 3.45Å; Q134-V136 VanDerWaalsContact C-N 3.3Å
137G56.7Low63.1Low46 Ų46114 Ų11447%0.47465%0.646SS.*PPolyproline II helixtrans-55.9152.7167.900000110.4S135S135-G137 VanDerWaalsContact C-N 3.28Å; S135-G137 PolarHBondContact O-N 3.14Å; S135-G137 VanDerWaalsContact O-N 3.14Å
138P57.9Low62Low121 Ų121113.8 Ų113.879%0.78666%0.662SS**PPolyproline II helixtrans-54.6140.8-178.423.2-32.1000109.9L140P138-L140 PolarHBondContact O-N 3.35Å
139P55.8Low60.8Low125 Ų125116.5 Ų116.581%0.81268%0.681SS**PPolyproline II helixtrans-56.3135.9171.225.3-31.4000108.4
140L52Low59.6Low249 Ų249121 Ų121100%1.30470%0.7SS**  trans-49.80170.6-73.7170.2000111.4P138P138-L140 PolarHBondContact O-N 3.35Å

Retrieved 140 of 140 residues in 59 ms (Link to these results)