A0A3Q0KVD5_SCHMA Loading...

ATP-dependent Clp protease proteolytic subunit

AlphaFold DB , UniProt , Accession A0A3Q0KVD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 203 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
1M63.9Low66Low183 Ų183107.1 Ų107.190%0.90155%0.551SS**  0139.30-84.4-179.7-66.100108.8Y12 Y13M1-Y12 HydrophobicContact CB-CD1 4.42Å; M1-Y12 HydrophobicContact SD-CD1 3.78Å; M1-Y12 HydrophobicContact SD-CG 4.22Å; M1-Y13 CarbonylContact C-O 3.56Å; M1-Y13 WeakPolarHBondContact CA-O 3.38Å
2V70Confident66.7Low48 Ų48109.8 Ų109.829%0.29155%0.551SS.*EExtended strand (participates in β ladder)trans-114.4132.4174.4-175.10000107.2Y13 I15 R18V2-Y13 PolarHBondContact N-O 3.2Å; V2-Y13 PolarHBondContact O-N 3.28Å; V2-I15 HydrophobicContact CG2-CB 4.27Å; V2-I15 HydrophobicContact CG2-CD1 3.66Å; V2-R18 HydrophobicContact CG1-CG 4.39Å
3L68.7Low67.3Low64 Ų64105.1 Ų105.134%0.33552%0.523SS..EExtended strand (participates in β ladder)trans-88.8118.5177.7-168.584.1000109.1K5 E10 Y12L3-K5 HydrophobicContact CD2-CD 4.22Å; L3-K5 HydrophobicContact CD2-CG 3.79Å; L3-K5 HydrophobicContact CG-CG 4.34Å; L3-E10 HydrophobicContact CD1-CB 4.06Å; L3-E10 HydrophobicContact CD1-CG 4.15Å; L3-Y12 HydrophobicContact CD1-CD1 4.29Å; L3-Y12 HydrophobicContact CD1-CE1 3.75Å; L3-Y12 HydrophobicContact CD1-CE2 4.27Å
4D66.3Low68.9Low22 Ų22102.9 Ų102.912%0.11851%0.514CS..EExtended strand (participates in β ladder)trans-89.8110.9172.3-169.6-10.7000109.6S6 R11 Y13 K21D4-S6 VanDerWaalsContact OD1-CB 3.25Å; D4-S6 WeakPolarHBondContact OD1-CB 3.44Å; D4-S6 PolarHBondContact OD1-N 2.83Å; D4-S6 PolarHBondContact OD1-OG 2.97Å; D4-R11 PolarHBondContact N-O 3.15Å; D4-Y13 HydrophobicContact CB-CD2 3.9Å; D4-Y13 HydrophobicContact CB-CE2 3.72Å; D4-K21 IonicContact OD2-NZ 3.93Å; D4-K21 PolarHBondContact OD2-NZ 3.46Å
5K68.2Low70.4Confident169 Ų169102.1 Ų102.174%0.73551%0.511SS*.  trans-95.76.2177.6-64.7-169.5179-173.40113.4L3 T7L3-K5 HydrophobicContact CD2-CD 4.22Å; L3-K5 HydrophobicContact CD2-CG 3.79Å; L3-K5 HydrophobicContact CG-CG 4.34Å; K5-T7 PolarHBondContact O-N 3.31Å
6S66.8Low71.8Confident96 Ų96104.2 Ų104.267%0.67151%0.512SS*.SBendtrans-68.4-19.9-178.362.80000113.4D4D4-S6 VanDerWaalsContact OD1-CB 3.25Å; D4-S6 WeakPolarHBondContact OD1-CB 3.44Å; D4-S6 PolarHBondContact OD1-N 2.83Å; D4-S6 PolarHBondContact OD1-OG 2.97Å
7T58.2Low72.9Confident63 Ų63101 Ų10139%0.38750%0.503SS..SBendtrans-116.5150.7174.554.40000110.7K5 V9K5-T7 PolarHBondContact O-N 3.31Å; T7-V9 PolarHBondContact O-N 2.76Å; T7-V9 PolarHBondContact OG1-O 3.47Å
8N63.1Low74Confident184 Ų18499.6 Ų99.698%0.98449%0.491SS*.SBendtrans-61.34.3172.1-94.80.1000114.5
9V63.4Low75.1Confident95 Ų9596.9 Ų96.958%0.57648%0.478SS*.SBendtrans-117.2120.7173.5-178.50000107.2T7 R11T7-V9 PolarHBondContact O-N 2.76Å; T7-V9 PolarHBondContact OG1-O 3.47Å; V9-R11 PolarHBondContact O-N 2.74Å
10E69.5Low76.2Confident119 Ų11993.6 Ų93.656%0.55646%0.462SS*.  trans-64117.8173.4-69.6-169.9162.400109.7L3 Y12L3-E10 HydrophobicContact CD1-CB 4.06Å; L3-E10 HydrophobicContact CD1-CG 4.15Å; E10-Y12 HydrophobicContact CB-CE2 4.35Å; E10-Y12 PolarHBondContact OE2-OH 3.03Å
11R68Low77Confident135 Ų13593.6 Ų93.651%0.50946%0.46SS..EExtended strand (participates in β ladder)trans-112.9127.5172.4-70.7-176.7176.1174.1-2.2109.8D4 V9 Y13D4-R11 PolarHBondContact N-O 3.15Å; V9-R11 PolarHBondContact O-N 2.74Å; R11-Y13 HydrophobicContact CB-CD2 4.33Å; R11-Y13 HydrophobicContact CB-CE2 3.56Å; R11-Y13 WeakPolarHBondContact CD-OH 3.21Å
12Y73.8Confident78.5Confident139 Ų13988.8 Ų88.855%0.54544%0.438SS..EExtended strand (participates in β ladder)trans-93.2120.7177.2-66-93.6000109M1 L3 E10M1-Y12 HydrophobicContact CB-CD1 4.42Å; M1-Y12 HydrophobicContact SD-CD1 3.78Å; M1-Y12 HydrophobicContact SD-CG 4.22Å; L3-Y12 HydrophobicContact CD1-CD1 4.29Å; L3-Y12 HydrophobicContact CD1-CE1 3.75Å; L3-Y12 HydrophobicContact CD1-CE2 4.27Å; E10-Y12 HydrophobicContact CB-CE2 4.35Å; E10-Y12 PolarHBondContact OE2-OH 3.03Å
13Y75.6Confident79.8Confident49 Ų4987.7 Ų87.719%0.19243%0.428CS..EExtended strand (participates in β ladder)trans-115151.9172.8-64.1-79.4000109.7M1 V2 D4 R11 K21M1-Y13 CarbonylContact C-O 3.56Å; M1-Y13 WeakPolarHBondContact CA-O 3.38Å; V2-Y13 PolarHBondContact N-O 3.2Å; V2-Y13 PolarHBondContact O-N 3.28Å; D4-Y13 HydrophobicContact CB-CD2 3.9Å; D4-Y13 HydrophobicContact CB-CE2 3.72Å; R11-Y13 HydrophobicContact CB-CD2 4.33Å; R11-Y13 HydrophobicContact CB-CE2 3.56Å; R11-Y13 WeakPolarHBondContact CD-OH 3.21Å; Y13-K21 VanDerWaalsContact CE2-NZ 3.29Å; Y13-K21 VanDerWaalsContact CZ-CE 3.42Å; Y13-K21 WeakPolarHBondContact OH-CE 3.29Å; Y13-K21 PolarHBondContact OH-NZ 2.78Å
14D89.7Confident81.2Confident75 Ų7586.1 Ų86.140%0.40142%0.42SS..  trans-71.7164.7155.472.588.3000109.7Y16 S17 R18D14-Y16 VanDerWaalsContact C-N 3.3Å; D14-Y16 PolarHBondContact O-N 3.49Å; D14-Y16 WeakPolarHBondContact OD1-CA 3.48Å; D14-Y16 WeakPolarHBondContact OD1-CB 3.46Å; D14-Y16 PolarHBondContact OD1-N 2.75Å; D14-S17 PolarHBondContact O-N 3.39Å; D14-S17 PolarHBondContact OD1-N 3.19Å; D14-S17 WeakPolarHBondContact OD2-CB 3.5Å; D14-S17 PolarHBondContact OD2-OG 3.01Å; D14-R18 PolarHBondContact O-N 2.96Å; D14-R18 VanDerWaalsContact O-N 3.07Å
15I90.6Very high82.8Confident91 Ų9185 Ų8547%0.46741%0.414SS..Hα-helixtrans-64.4-34.6-175-172.162000112.2V2 R18 L19V2-I15 HydrophobicContact CG2-CB 4.27Å; V2-I15 HydrophobicContact CG2-CD1 3.66Å; I15-R18 PolarHBondContact O-N 3.22Å; I15-L19 WeakPolarHBondContact O-CG 3.5Å; I15-L19 PolarHBondContact O-N 2.9Å
16Y92.3Very high84.2Confident135 Ų13578.4 Ų78.453%0.52939%0.389SS..Hα-helixtrans-72.6-40179.2-62.3-71.2000111.3D14 R18 L19 L20 C26D14-Y16 VanDerWaalsContact C-N 3.3Å; D14-Y16 PolarHBondContact O-N 3.49Å; D14-Y16 WeakPolarHBondContact OD1-CA 3.48Å; D14-Y16 WeakPolarHBondContact OD1-CB 3.46Å; D14-Y16 PolarHBondContact OD1-N 2.75Å; Y16-R18 VanDerWaalsContact C-N 3.26Å; Y16-R18 PolarHBondContact O-N 3.27Å; Y16-L19 HydrophobicContact CD1-CD1 4.44Å; Y16-L19 PolarHBondContact O-N 2.9Å; Y16-L19 VanDerWaalsContact O-N 3.15Å; Y16-L20 PolarHBondContact O-N 3.2Å; Y16-C26 HydrophobicContact CD1-CB 4.13Å; Y16-C26 HydrophobicContact CE1-CB 3.97Å
17S91.4Very high85.7Confident50 Ų5073.9 Ų73.935%0.3536%0.357SS..Hα-helixtrans-60.1-37.5171.6-69.90000112.3D14 L20 K21D14-S17 PolarHBondContact O-N 3.39Å; D14-S17 PolarHBondContact OD1-N 3.19Å; D14-S17 WeakPolarHBondContact OD2-CB 3.5Å; D14-S17 PolarHBondContact OD2-OG 3.01Å; S17-L20 PolarHBondContact O-N 3.14Å; S17-K21 PolarHBondContact O-N 2.86Å
18R92.4Very high87.6Confident76 Ų7673.5 Ų73.529%0.28735%0.352SS..Hα-helixtrans-65.8-43174176.463.5-165.392.84111.6V2 D14 I15 Y16 L20 K21 D22V2-R18 HydrophobicContact CG1-CG 4.39Å; D14-R18 PolarHBondContact O-N 2.96Å; D14-R18 VanDerWaalsContact O-N 3.07Å; I15-R18 PolarHBondContact O-N 3.22Å; Y16-R18 VanDerWaalsContact C-N 3.26Å; Y16-R18 PolarHBondContact O-N 3.27Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-K21 WeakPolarHBondContact O-CB 3.46Å; R18-K21 PolarHBondContact O-N 3.29Å; R18-D22 IonicContact CZ-OD1 3.58Å; R18-D22 IonicContact CZ-OD2 2.94Å; R18-D22 VanDerWaalsContact CZ-OD2 3.31Å; R18-D22 IonicContact NH1-OD1 3.55Å; R18-D22 PolarHBondContact NH1-OD1 3.29Å; R18-D22 IonicContact NH1-OD2 3.48Å; R18-D22 PolarHBondContact NH1-OD2 2.99Å; R18-D22 IonicContact NH2-OD1 2.68Å; R18-D22 PolarHBondContact NH2-OD1 3.32Å; R18-D22 IonicContact NH2-OD2 3.57Å; R18-D22 PolarHBondContact NH2-OD2 2.96Å; R18-D22 VanDerWaalsContact NH2-OD2 3.11Å
19L95.5Very high89.2Confident48 Ų4866.3 Ų66.325%0.25132%0.321SS..Hα-helixtrans-63.4-37.3176.2-73.5174000112.3I15 Y16 K21 D22 R23 I24I15-L19 WeakPolarHBondContact O-CG 3.5Å; I15-L19 PolarHBondContact O-N 2.9Å; Y16-L19 HydrophobicContact CD1-CD1 4.44Å; Y16-L19 PolarHBondContact O-N 2.9Å; Y16-L19 VanDerWaalsContact O-N 3.15Å; L19-K21 VanDerWaalsContact C-N 3.26Å; L19-K21 PolarHBondContact O-N 3.48Å; L19-D22 CarbonylContact O-C 3.39Å; L19-D22 WeakPolarHBondContact O-CA 3.34Å; L19-D22 PolarHBondContact O-N 3.07Å; L19-R23 PolarHBondContact O-N 2.86Å; L19-I24 HydrophobicContact CB-CB 4.07Å; L19-I24 HydrophobicContact CB-CG2 4.19Å; L19-I24 HydrophobicContact CD2-CD1 3.94Å; L19-I24 HydrophobicContact CD2-CG2 4.46Å; L19-I24 WeakPolarHBondContact O-CB 3.37Å; L19-I24 PolarHBondContact O-N 2.55Å; L19-I24 VanDerWaalsContact O-N 3.09Å
20L96.3Very high90.9Very high30 Ų3064.2 Ų64.216%0.15731%0.314CS..Hα-helixtrans-62-34178.4-17167.1000112.1Y16 S17 R18 D22 R23 I25 Q42 F45 L46Y16-L20 PolarHBondContact O-N 3.2Å; S17-L20 PolarHBondContact O-N 3.14Å; R18-L20 VanDerWaalsContact C-N 3.33Å; L20-D22 PolarHBondContact O-N 3.33Å; L20-R23 WeakPolarHBondContact O-CA 3.34Å; L20-R23 PolarHBondContact O-N 3.31Å; L20-I25 HydrophobicContact CD1-CG1 4.03Å; L20-Q42 HydrophobicContact CD1-CB 3.93Å; L20-Q42 HydrophobicContact CD1-CG 3.98Å; L20-Q42 HydrophobicContact CD2-CG 4.14Å; L20-F45 HydrophobicContact CD2-CD1 4.11Å; L20-F45 HydrophobicContact CD2-CE1 4.29Å; L20-L46 HydrophobicContact CD1-CD1 3.84Å; L20-L46 HydrophobicContact CD1-CD2 3.97Å; L20-L46 HydrophobicContact CD1-CG 3.92Å; L20-L46 HydrophobicContact CG-CD2 4.22Å; L20-L46 WeakPolarHBondContact O-CD2 3.45Å
21K93.1Very high92.3Very high94 Ų9458.7 Ų58.741%0.40929%0.288SS..Hα-helixtrans-59.7-32.7171.6-70.4-170.7178.9-173.10112.7D4 Y13 S17 R18 L19 R23D4-K21 IonicContact OD2-NZ 3.93Å; D4-K21 PolarHBondContact OD2-NZ 3.46Å; Y13-K21 VanDerWaalsContact CE2-NZ 3.29Å; Y13-K21 VanDerWaalsContact CZ-CE 3.42Å; Y13-K21 WeakPolarHBondContact OH-CE 3.29Å; Y13-K21 PolarHBondContact OH-NZ 2.78Å; S17-K21 PolarHBondContact O-N 2.86Å; R18-K21 WeakPolarHBondContact O-CB 3.46Å; R18-K21 PolarHBondContact O-N 3.29Å; L19-K21 VanDerWaalsContact C-N 3.26Å; L19-K21 PolarHBondContact O-N 3.48Å; K21-R23 PolarHBondContact O-N 3.5Å
22D95Very high93.8Very high82 Ų8255.3 Ų55.344%0.43928%0.282SS..THydrogen-bonded Turntrans-8815.8175-57.4-22.8000111.6R18 L19 L20 I24R18-D22 IonicContact CZ-OD1 3.58Å; R18-D22 IonicContact CZ-OD2 2.94Å; R18-D22 VanDerWaalsContact CZ-OD2 3.31Å; R18-D22 IonicContact NH1-OD1 3.55Å; R18-D22 PolarHBondContact NH1-OD1 3.29Å; R18-D22 IonicContact NH1-OD2 3.48Å; R18-D22 PolarHBondContact NH1-OD2 2.99Å; R18-D22 IonicContact NH2-OD1 2.68Å; R18-D22 PolarHBondContact NH2-OD1 3.32Å; R18-D22 IonicContact NH2-OD2 3.57Å; R18-D22 PolarHBondContact NH2-OD2 2.96Å; R18-D22 VanDerWaalsContact NH2-OD2 3.11Å; L19-D22 CarbonylContact O-C 3.39Å; L19-D22 WeakPolarHBondContact O-CA 3.34Å; L19-D22 PolarHBondContact O-N 3.07Å; L20-D22 PolarHBondContact O-N 3.33Å; D22-I24 VanDerWaalsContact C-N 3.26Å; D22-I24 HydrophobicContact CB-CD1 4.26Å; D22-I24 PolarHBondContact O-N 3.23Å
23R97.9Very high95Very high25 Ų2554.1 Ų54.19%0.09429%0.285CS..THydrogen-bonded Turntrans62.429178.2-48.5179.962.179.9-9114L19 L20 K21 L46 D50 T53 P54 H56L19-R23 PolarHBondContact O-N 2.86Å; L20-R23 WeakPolarHBondContact O-CA 3.34Å; L20-R23 PolarHBondContact O-N 3.31Å; K21-R23 PolarHBondContact O-N 3.5Å; R23-L46 HydrophobicContact CB-CD1 4.17Å; R23-L46 HydrophobicContact CB-CD2 4.34Å; R23-L46 HydrophobicContact CG-CD2 4.18Å; R23-L46 PolarHBondContact NH1-O 2.9Å; R23-L46 PolarHBondContact NH2-O 3.06Å; R23-D50 PolarHBondContact NH2-O 3.46Å; R23-T53 PolarHBondContact NE-O 2.64Å; R23-T53 PolarHBondContact NH2-O 2.82Å; R23-P54 PolarHBondContact NE-O 3.02Å; R23-H56 PolarHBondContact O-N 3.35Å
24I98.3Very high96Very high31 Ų3160 Ų6016%0.15931%0.314CS..EExtended strand (participates in β ladder)trans-99.7126.6177.8-65.5165.8000109.6L19 D22 H56 Y58L19-I24 HydrophobicContact CB-CB 4.07Å; L19-I24 HydrophobicContact CB-CG2 4.19Å; L19-I24 HydrophobicContact CD2-CD1 3.94Å; L19-I24 HydrophobicContact CD2-CG2 4.46Å; L19-I24 WeakPolarHBondContact O-CB 3.37Å; L19-I24 PolarHBondContact O-N 2.55Å; L19-I24 VanDerWaalsContact O-N 3.09Å; D22-I24 VanDerWaalsContact C-N 3.26Å; D22-I24 HydrophobicContact CB-CD1 4.26Å; D22-I24 PolarHBondContact O-N 3.23Å; I24-H56 WeakPolarHBondContact CA-O 3.46Å; I24-H56 HydrophobicContact CG1-CB 4.15Å; I24-Y58 HydrophobicContact CG1-CE2 4.35Å; I24-Y58 HydrophobicContact CG2-CD2 3.73Å; I24-Y58 HydrophobicContact CG2-CE2 3.92Å
25I98.6Very high96.4Very high0 Ų058.6 Ų58.60%031%0.306CS..EExtended strand (participates in β ladder)trans-113.7136.4172.1-59.7175.6000108.5L20 V39 Q42 L43 L46 I55 H56 L57 Y58L20-I25 HydrophobicContact CD1-CG1 4.03Å; I25-V39 HydrophobicContact CG2-CG1 4.28Å; I25-V39 HydrophobicContact CG2-CG2 4.21Å; I25-Q42 HydrophobicContact CD1-CB 3.61Å; I25-Q42 HydrophobicContact CG1-CB 3.97Å; I25-L43 HydrophobicContact CD1-CD2 3.73Å; I25-L43 HydrophobicContact CD1-CG 3.84Å; I25-L46 HydrophobicContact CD1-CD1 3.92Å; I25-L46 HydrophobicContact CG1-CD1 3.99Å; I25-I55 HydrophobicContact CD1-CG2 3.9Å; I25-I55 HydrophobicContact CG1-CG2 4.28Å; I25-H56 PolarHBondContact N-O 3.39Å; I25-L57 HydrophobicContact CB-CD1 3.91Å; I25-L57 HydrophobicContact CG2-CD1 3.7Å; I25-Y58 PolarHBondContact O-N 3.36Å
26C98.1Very high96.8Very high30 Ų3054.4 Ų54.420%0.20329%0.285CS..EExtended strand (participates in β ladder)trans-111.5109.7178.6-63.30000110.6Y16 M28Y16-C26 HydrophobicContact CD1-CB 4.13Å; Y16-C26 HydrophobicContact CE1-CB 3.97Å; C26-M28 HydrophobicContact CB-CE 3.59Å; C26-M28 HydrophobicContact CB-CG 3.94Å
27L98.5Very high97.1Very high0 Ų050 Ų500%028%0.28CS..EExtended strand (participates in β ladder)trans-94.696.6169.9-167.7166.3000108.3V31 V39 L57 Y58 N60 I72 L98L27-V31 HydrophobicContact CD2-CG2 4.25Å; L27-V39 HydrophobicContact CG-CG2 4.5Å; L27-L57 HydrophobicContact CB-CD1 4.08Å; L27-Y58 PolarHBondContact N-O 2.99Å; L27-N60 PolarHBondContact O-N 3.31Å; L27-I72 HydrophobicContact CD1-CD1 4.02Å; L27-L98 HydrophobicContact CD1-CD1 3.58Å
28M97.7Very high97.5Very high56 Ų5650.5 Ų50.528%0.27628%0.284SS..EExtended strand (participates in β ladder)trans-120.8117.4-172.6-56-61.9152.200110.2C26 M35 Y58 N60 I88C26-M28 HydrophobicContact CB-CE 3.59Å; C26-M28 HydrophobicContact CB-CG 3.94Å; M28-M35 WeakPolarHBondContact O-CE 3.44Å; M28-Y58 WeakPolarHBondContact CE-O 3.22Å; M28-N60 HydrophobicContact SD-CB 3.57Å; M28-N60 VanDerWaalsContact SD-CB 3.57Å; M28-I88 HydrophobicContact CE-CD1 3.7Å; M28-I88 HydrophobicContact CE-CG1 4.27Å; M28-I88 HydrophobicContact SD-CD1 4.33Å
29G98.4Very high97.8Very high33 Ų3346.9 Ų46.934%0.3427%0.27SS..SBendtrans95.9-163.1-17800000113.6N60 S61G29-N60 PolarHBondContact N-O 2.99Å; G29-S61 VanDerWaalsContact O-CB 3.26Å; G29-S61 WeakPolarHBondContact O-CB 3.08Å; G29-S61 PolarHBondContact O-OG 2.8Å
30A98.5Very high97.9Very high51 Ų5146.2 Ų46.242%0.42127%0.267SS..  trans-67.8143-173.800000112.1T32 G63A30-T32 HydrophobicContact CB-CG2 4.38Å; A30-T32 PolarHBondContact O-N 2.94Å; A30-T32 VanDerWaalsContact O-N 3.17Å; A30-G63 CarbonylContact C-O 3.4Å; A30-G63 VanDerWaalsContact CA-O 3.28Å; A30-G63 WeakPolarHBondContact CA-O 3.31Å
31V98.8Very high98Very high2 Ų247.5 Ų47.51%0.01228%0.282CS..BIsolated β-bridgetrans-77.3100173.2-176.20000108.6L27 G63 G64 S65 A68 I72 M94 L98L27-V31 HydrophobicContact CD2-CG2 4.25Å; V31-G63 PolarHBondContact N-O 2.81Å; V31-G64 CarbonylContact O-C 3.53Å; V31-G64 WeakPolarHBondContact O-CA 3.42Å; V31-S65 PolarHBondContact O-N 3.17Å; V31-A68 HydrophobicContact CG1-CB 4.01Å; V31-I72 HydrophobicContact CG1-CD1 4.2Å; V31-M94 HydrophobicContact CG2-CB 4.31Å; V31-L98 HydrophobicContact CG2-CD1 4.44Å
32T98.7Very high98.3Very high64 Ų6445 Ų4539%0.39327%0.271SS..  trans-111.5169.3175.165.50000110.5A30 E34 M35 A36A30-T32 HydrophobicContact CB-CG2 4.38Å; A30-T32 PolarHBondContact O-N 2.94Å; A30-T32 VanDerWaalsContact O-N 3.17Å; T32-E34 VanDerWaalsContact C-N 3.25Å; T32-E34 PolarHBondContact O-N 3.22Å; T32-M35 PolarHBondContact O-N 2.93Å; T32-M35 WeakPolarHBondContact OG1-CB 3.31Å; T32-M35 PolarHBondContact OG1-N 2.85Å; T32-M35 VanDerWaalsContact OG1-N 3.16Å; T32-A36 WeakPolarHBondContact O-CB 3.33Å; T32-A36 PolarHBondContact O-N 2.76Å
33D98.7Very high98.5Very high114 Ų11441 Ų4161%0.6125%0.25SS*.Hα-helixtrans-61.2-35.7175.6-62-39.3000112G37D33-G37 PolarHBondContact O-N 2.94Å
34E98.5Very high98.5Very high172 Ų17243.5 Ų43.580%0.80427%0.265SS*.Hα-helixtrans-67.8-47.2176.1-174.3177.4-174.800111.8T32 A36 G37 S38T32-E34 VanDerWaalsContact C-N 3.25Å; T32-E34 PolarHBondContact O-N 3.22Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 2.78Å; E34-G37 PolarHBondContact O-N 2.86Å; E34-S38 PolarHBondContact O-N 2.9Å
35M98.1Very high98.5Very high47 Ų4746.6 Ų46.623%0.23228%0.277CS..Hα-helixtrans-59-45.8175179.664.77000110.6M28 T32 S38 V39M28-M35 WeakPolarHBondContact O-CE 3.44Å; T32-M35 PolarHBondContact O-N 2.93Å; T32-M35 WeakPolarHBondContact OG1-CB 3.31Å; T32-M35 PolarHBondContact OG1-N 2.85Å; T32-M35 VanDerWaalsContact OG1-N 3.16Å; M35-S38 PolarHBondContact O-N 3.41Å; M35-V39 WeakPolarHBondContact O-CG2 3.44Å; M35-V39 PolarHBondContact O-N 3.3Å; M35-V39 HydrophobicContact SD-CG2 4.34Å
36A98.7Very high98.5Very high3 Ų346.8 Ų46.83%0.02528%0.278CS..Hα-helixtrans-62.3-45.6177.600000111.9T32 E34 S38 V39 I40 A68 I72T32-A36 WeakPolarHBondContact O-CB 3.33Å; T32-A36 PolarHBondContact O-N 2.76Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 2.78Å; A36-S38 VanDerWaalsContact C-N 3.29Å; A36-S38 PolarHBondContact O-N 3.33Å; A36-V39 PolarHBondContact O-N 3.13Å; A36-I40 HydrophobicContact CB-CD1 4.43Å; A36-I40 VanDerWaalsContact O-CB 3.31Å; A36-I40 WeakPolarHBondContact O-CB 3.5Å; A36-I40 WeakPolarHBondContact O-CD1 3.18Å; A36-I40 WeakPolarHBondContact O-CG1 3.46Å; A36-I40 PolarHBondContact O-N 2.77Å; A36-A68 HydrophobicContact CB-CB 3.89Å; A36-A68 WeakPolarHBondContact CB-O 3.36Å; A36-I72 HydrophobicContact CB-CD1 3.88Å; A36-I72 HydrophobicContact CB-CG1 3.75Å
37G98.7Very high98.5Very high41 Ų4146.8 Ų46.842%0.42328%0.275SS..Hα-helixtrans-55.3-44.2175.500000112.5D33 E34 A41D33-G37 PolarHBondContact O-N 2.94Å; E34-G37 PolarHBondContact O-N 2.86Å; G37-A41 WeakPolarHBondContact O-CB 3.49Å; G37-A41 PolarHBondContact O-N 3.34Å
38S98.2Very high98.5Very high61 Ų6150.5 Ų50.543%0.42730%0.301SS..Hα-helixtrans-65.3-47.7177.1-176.90000113E34 M35 A36 A41 Q42E34-S38 PolarHBondContact O-N 2.9Å; M35-S38 PolarHBondContact O-N 3.41Å; A36-S38 VanDerWaalsContact C-N 3.29Å; A36-S38 PolarHBondContact O-N 3.33Å; S38-A41 PolarHBondContact O-N 3.1Å; S38-Q42 WeakPolarHBondContact O-CG 3.4Å; S38-Q42 PolarHBondContact O-N 3.42Å; S38-Q42 PolarHBondContact O-NE2 3.27Å; S38-Q42 VanDerWaalsContact O-NE2 3.14Å; S38-Q42 PolarHBondContact OG-NE2 3.11Å
39V98.8Very high98.5Very high0 Ų054.3 Ų54.30%032%0.318CS..Hα-helixtrans-63.6-43.2179.5170.80000111.1I25 L27 M35 A36 Q42 L43 I72I25-V39 HydrophobicContact CG2-CG1 4.28Å; I25-V39 HydrophobicContact CG2-CG2 4.21Å; L27-V39 HydrophobicContact CG-CG2 4.5Å; M35-V39 WeakPolarHBondContact O-CG2 3.44Å; M35-V39 PolarHBondContact O-N 3.3Å; M35-V39 HydrophobicContact SD-CG2 4.34Å; A36-V39 PolarHBondContact O-N 3.13Å; V39-Q42 PolarHBondContact O-N 2.83Å; V39-L43 HydrophobicContact CG1-CD1 3.98Å; V39-L43 HydrophobicContact CG1-CG 4.36Å; V39-L43 WeakPolarHBondContact O-CG 3.33Å; V39-L43 PolarHBondContact O-N 2.8Å; V39-I72 HydrophobicContact CB-CD1 4.34Å; V39-I72 HydrophobicContact CB-CG1 4.42Å; V39-I72 HydrophobicContact CG1-CD1 4.38Å; V39-I72 HydrophobicContact CG1-CG1 4.32Å; V39-I72 HydrophobicContact CG1-CG2 3.78Å
40I98.8Very high98.4Very high35 Ų3554.8 Ų54.818%0.17931%0.313CS..Hα-helixtrans-62.6-45.3178.4-69166000110.6A36 Q42 L43 L44 A71 I72 T75A36-I40 HydrophobicContact CB-CD1 4.43Å; A36-I40 VanDerWaalsContact O-CB 3.31Å; A36-I40 WeakPolarHBondContact O-CB 3.5Å; A36-I40 WeakPolarHBondContact O-CD1 3.18Å; A36-I40 WeakPolarHBondContact O-CG1 3.46Å; A36-I40 PolarHBondContact O-N 2.77Å; I40-Q42 VanDerWaalsContact C-N 3.31Å; I40-Q42 PolarHBondContact O-N 3.42Å; I40-L43 PolarHBondContact O-N 2.99Å; I40-L44 HydrophobicContact CG2-CD1 3.91Å; I40-L44 HydrophobicContact CG2-CG 4.41Å; I40-L44 WeakPolarHBondContact O-CG 3.3Å; I40-L44 PolarHBondContact O-N 2.7Å; I40-A71 HydrophobicContact CD1-CB 3.71Å; I40-I72 HydrophobicContact CD1-CG1 4.48Å; I40-I72 HydrophobicContact CG1-CG1 4.28Å; I40-T75 HydrophobicContact CG1-CG2 4.48Å; I40-T75 HydrophobicContact CG2-CG2 4.12Å
41A98.7Very high98.3Very high57 Ų5757.3 Ų57.347%0.47132%0.315SS..Hα-helixtrans-58.9-43.6176.600000111.7G37 S38 L44 F45G37-A41 WeakPolarHBondContact O-CB 3.49Å; G37-A41 PolarHBondContact O-N 3.34Å; S38-A41 PolarHBondContact O-N 3.1Å; A41-L44 PolarHBondContact O-N 2.89Å; A41-F45 VanDerWaalsContact O-CB 3.28Å; A41-F45 WeakPolarHBondContact O-CB 3.4Å; A41-F45 PolarHBondContact O-N 3.17Å
42Q98.7Very high98.3Very high40 Ų4067.2 Ų67.219%0.18735%0.352CS..Hα-helixtrans-64.4-43.5176.8-71.1170.971.300112.2L20 I25 S38 V39 I40 L44 F45 L46L20-Q42 HydrophobicContact CD1-CB 3.93Å; L20-Q42 HydrophobicContact CD1-CG 3.98Å; L20-Q42 HydrophobicContact CD2-CG 4.14Å; I25-Q42 HydrophobicContact CD1-CB 3.61Å; I25-Q42 HydrophobicContact CG1-CB 3.97Å; S38-Q42 WeakPolarHBondContact O-CG 3.4Å; S38-Q42 PolarHBondContact O-N 3.42Å; S38-Q42 PolarHBondContact O-NE2 3.27Å; S38-Q42 VanDerWaalsContact O-NE2 3.14Å; S38-Q42 PolarHBondContact OG-NE2 3.11Å; V39-Q42 PolarHBondContact O-N 2.83Å; I40-Q42 VanDerWaalsContact C-N 3.31Å; I40-Q42 PolarHBondContact O-N 3.42Å; Q42-L44 PolarHBondContact O-N 3.3Å; Q42-F45 PolarHBondContact O-N 3.22Å; Q42-L46 WeakPolarHBondContact O-CB 3.22Å; Q42-L46 VanDerWaalsContact O-CG 3.29Å; Q42-L46 WeakPolarHBondContact O-CG 3.4Å; Q42-L46 PolarHBondContact O-N 3.34Å
43L98.8Very high98.2Very high0 Ų067.1 Ų67.10%035%0.351CS..Hα-helixtrans-59.5-47176.2-74.5170.1000111.9I25 V39 I40 L46 Q47 I55 I72 T75 M76 I79 V83I25-L43 HydrophobicContact CD1-CD2 3.73Å; I25-L43 HydrophobicContact CD1-CG 3.84Å; V39-L43 HydrophobicContact CG1-CD1 3.98Å; V39-L43 HydrophobicContact CG1-CG 4.36Å; V39-L43 WeakPolarHBondContact O-CG 3.33Å; V39-L43 PolarHBondContact O-N 2.8Å; I40-L43 PolarHBondContact O-N 2.99Å; L43-L46 PolarHBondContact O-N 3.19Å; L43-Q47 WeakPolarHBondContact O-CB 3.41Å; L43-Q47 PolarHBondContact O-N 3.35Å; L43-I55 HydrophobicContact CD2-CD1 4.2Å; L43-I55 HydrophobicContact CD2-CG2 4.09Å; L43-I72 HydrophobicContact CD1-CG2 4.47Å; L43-T75 HydrophobicContact CB-CG2 3.9Å; L43-T75 HydrophobicContact CD1-CG2 3.81Å; L43-M76 HydrophobicContact CD1-CG 3.94Å; L43-I79 HydrophobicContact CB-CD1 4.23Å; L43-I79 HydrophobicContact CD2-CD1 3.88Å; L43-V83 HydrophobicContact CD2-CG2 4.37Å
44L98.7Very high98.2Very high76 Ų7664.3 Ų64.340%0.39834%0.339SS..Hα-helixtrans-65.8-40.8179.1-68.2173.6000111.8I40 A41 Q42 Q47 S48 T75 I79I40-L44 HydrophobicContact CG2-CD1 3.91Å; I40-L44 HydrophobicContact CG2-CG 4.41Å; I40-L44 WeakPolarHBondContact O-CG 3.3Å; I40-L44 PolarHBondContact O-N 2.7Å; A41-L44 PolarHBondContact O-N 2.89Å; Q42-L44 PolarHBondContact O-N 3.3Å; L44-Q47 PolarHBondContact O-N 3.47Å; L44-S48 PolarHBondContact O-N 3.06Å; L44-T75 HydrophobicContact CD2-CG2 4.38Å; L44-T75 HydrophobicContact CG-CG2 4.38Å; L44-I79 HydrophobicContact CD2-CG2 4.2Å
45F98.5Very high98.2Very high97 Ų9756.1 Ų56.143%0.42530%0.301SS..Hα-helixtrans-61-50.8175.1172.1-104.5000111.8L20 A41 Q42 Q47 S48 E49L20-F45 HydrophobicContact CD2-CD1 4.11Å; L20-F45 HydrophobicContact CD2-CE1 4.29Å; A41-F45 VanDerWaalsContact O-CB 3.28Å; A41-F45 WeakPolarHBondContact O-CB 3.4Å; A41-F45 PolarHBondContact O-N 3.17Å; Q42-F45 PolarHBondContact O-N 3.22Å; F45-Q47 VanDerWaalsContact C-N 3.27Å; F45-Q47 PolarHBondContact O-N 2.86Å; F45-S48 PolarHBondContact O-N 3.22Å; F45-S48 PolarHBondContact O-OG 2.97Å; F45-E49 HydrophobicContact CE1-CG 4.1Å; F45-E49 HydrophobicContact CE2-CG 3.99Å; F45-E49 HydrophobicContact CZ-CG 3.76Å; F45-E49 PolarHBondContact O-N 3.11Å; F45-E49 VanDerWaalsContact O-N 3.08Å
46L98.6Very high98.2Very high4 Ų457 Ų572%0.02130%0.304CS..Hα-helixtrans-62.8-34.5179.6-69.7-179.1000112.5L20 R23 I25 Q42 L43 E49 D50 I55L20-L46 HydrophobicContact CD1-CD1 3.84Å; L20-L46 HydrophobicContact CD1-CD2 3.97Å; L20-L46 HydrophobicContact CD1-CG 3.92Å; L20-L46 HydrophobicContact CG-CD2 4.22Å; L20-L46 WeakPolarHBondContact O-CD2 3.45Å; R23-L46 HydrophobicContact CB-CD1 4.17Å; R23-L46 HydrophobicContact CB-CD2 4.34Å; R23-L46 HydrophobicContact CG-CD2 4.18Å; R23-L46 PolarHBondContact NH1-O 2.9Å; R23-L46 PolarHBondContact NH2-O 3.06Å; I25-L46 HydrophobicContact CD1-CD1 3.92Å; I25-L46 HydrophobicContact CG1-CD1 3.99Å; Q42-L46 WeakPolarHBondContact O-CB 3.22Å; Q42-L46 VanDerWaalsContact O-CG 3.29Å; Q42-L46 WeakPolarHBondContact O-CG 3.4Å; Q42-L46 PolarHBondContact O-N 3.34Å; L43-L46 PolarHBondContact O-N 3.19Å; L46-E49 PolarHBondContact O-N 3.3Å; L46-D50 PolarHBondContact O-N 3.05Å; L46-D50 VanDerWaalsContact O-O 3.04Å; L46-I55 HydrophobicContact CB-CD1 3.61Å; L46-I55 HydrophobicContact CB-CG1 3.98Å; L46-I55 HydrophobicContact CD1-CB 4.36Å; L46-I55 HydrophobicContact CD1-CD1 4.08Å; L46-I55 HydrophobicContact CD1-CG1 3.9Å; L46-I55 HydrophobicContact CD1-CG2 3.65Å
47Q97.8Very high98.2Very high30 Ų3056.8 Ų56.814%0.1430%0.303CS..Hα-helixtrans-64.4-40.3171.1169.6174-113.200112.3L43 L44 F45 E49 D50 K51 I79 P81L43-Q47 WeakPolarHBondContact O-CB 3.41Å; L43-Q47 PolarHBondContact O-N 3.35Å; L44-Q47 PolarHBondContact O-N 3.47Å; F45-Q47 VanDerWaalsContact C-N 3.27Å; F45-Q47 PolarHBondContact O-N 2.86Å; Q47-E49 VanDerWaalsContact C-N 3.28Å; Q47-E49 PolarHBondContact O-N 3.16Å; Q47-D50 CarbonylContact O-C 3.59Å; Q47-K51 HydrophobicContact CG-CG 4.27Å; Q47-K51 WeakPolarHBondContact O-CG 3.24Å; Q47-I79 HydrophobicContact CB-CB 4.36Å; Q47-I79 HydrophobicContact CB-CG2 4.31Å; Q47-I79 HydrophobicContact CG-CB 4.49Å; Q47-P81 HydrophobicContact CB-CG 4.17Å; Q47-P81 HydrophobicContact CG-CG 4.49Å
48S97.7Very high98.2Very high78 Ų7858.1 Ų58.155%0.54530%0.295SS..Hα-helixtrans-66.1-33.7178.959.30000112.5L44 F45L44-S48 PolarHBondContact O-N 3.06Å; F45-S48 PolarHBondContact O-N 3.22Å; F45-S48 PolarHBondContact O-OG 2.97Å
49E97.7Very high98.3Very high136 Ų13655.2 Ų55.264%0.63628%0.275SS*.Hα-helixtrans-72.7-48.9177.6-69.6-67.5101.900112.2F45 L46 Q47F45-E49 HydrophobicContact CE1-CG 4.1Å; F45-E49 HydrophobicContact CE2-CG 3.99Å; F45-E49 HydrophobicContact CZ-CG 3.76Å; F45-E49 PolarHBondContact O-N 3.11Å; F45-E49 VanDerWaalsContact O-N 3.08Å; L46-E49 PolarHBondContact O-N 3.3Å; Q47-E49 VanDerWaalsContact C-N 3.28Å; Q47-E49 PolarHBondContact O-N 3.16Å
50D97.4Very high98.3Very high43 Ų4358.1 Ų58.123%0.2329%0.291CS..  trans-150.2124.9176.1-174.1-2.7000111.1R23 L46 Q47 R52 T53 P81R23-D50 PolarHBondContact NH2-O 3.46Å; L46-D50 PolarHBondContact O-N 3.05Å; L46-D50 VanDerWaalsContact O-O 3.04Å; Q47-D50 CarbonylContact O-C 3.59Å; D50-R52 PolarHBondContact OD1-N 3.36Å; D50-R52 IonicContact OD1-NE 3.42Å; D50-T53 VanDerWaalsContact OD2-CB 3.22Å; D50-T53 WeakPolarHBondContact OD2-CB 3.5Å; D50-T53 PolarHBondContact OD2-OG1 3.27Å; D50-P81 WeakPolarHBondContact O-CG 3.37Å
51K96.9Very high98.3Very high104 Ų10456.5 Ų56.545%0.45228%0.282SS..SBendtrans-87.4-6.8-177.2-63.7178.9-177.6178.60113.8Q47 R80Q47-K51 HydrophobicContact CG-CG 4.27Å; Q47-K51 WeakPolarHBondContact O-CG 3.24Å; K51-R80 HydrophobicContact CB-CB 4.31Å
52R96.9Very high98.2Very high209 Ų20956.9 Ų56.979%0.78928%0.28SS*.SBendtrans-110.6-43.8-172.7-63.4177.2-66.8-172.90.4112.6D50D50-R52 PolarHBondContact OD1-N 3.36Å; D50-R52 IonicContact OD1-NE 3.42Å
53T97.6Very high98.2Very high62 Ų6255.1 Ų55.138%0.3827%0.273SS..SBendtrans-70133-174.8-58.90000110.8R23 D50R23-T53 PolarHBondContact NE-O 2.64Å; R23-T53 PolarHBondContact NH2-O 2.82Å; D50-T53 VanDerWaalsContact OD2-CB 3.22Å; D50-T53 WeakPolarHBondContact OD2-CB 3.5Å; D50-T53 PolarHBondContact OD2-OG1 3.27Å
54P98.1Very high98.2Very high55 Ų5557 Ų5736%0.35729%0.293SS..  trans-53153.1178.5-25.131.9000113.9R23 P82R23-P54 PolarHBondContact NE-O 3.02Å; P54-P82 CarbonylContact C-O 3.55Å; P54-P82 VanDerWaalsContact CA-O 3.3Å; P54-P82 WeakPolarHBondContact CA-O 3.33Å; P54-P82 HydrophobicContact CB-CG 4.04Å; P54-P82 HydrophobicContact CG-CG 3.88Å
55I98.8Very high98.2Very high0 Ų055.5 Ų55.50%029%0.288CS..EExtended strand (participates in β ladder)trans-107.7136.2168.7-63.1170.2000107.5I25 L43 L46 I79 P81 P82 V83 A84I25-I55 HydrophobicContact CD1-CG2 3.9Å; I25-I55 HydrophobicContact CG1-CG2 4.28Å; L43-I55 HydrophobicContact CD2-CD1 4.2Å; L43-I55 HydrophobicContact CD2-CG2 4.09Å; L46-I55 HydrophobicContact CB-CD1 3.61Å; L46-I55 HydrophobicContact CB-CG1 3.98Å; L46-I55 HydrophobicContact CD1-CB 4.36Å; L46-I55 HydrophobicContact CD1-CD1 4.08Å; L46-I55 HydrophobicContact CD1-CG1 3.9Å; L46-I55 HydrophobicContact CD1-CG2 3.65Å; I55-I79 HydrophobicContact CD1-CD1 3.71Å; I55-P81 HydrophobicContact CD1-CB 3.92Å; I55-P81 HydrophobicContact CD1-CG 4.15Å; I55-P81 HydrophobicContact CG1-CB 4.03Å; I55-P82 PolarHBondContact N-O 2.75Å; I55-V83 CarbonylContact O-C 3.53Å; I55-V83 WeakPolarHBondContact O-CA 3.28Å; I55-A84 PolarHBondContact O-N 2.98Å
56H98.6Very high98.2Very high65 Ų6552.4 Ų52.430%0.30128%0.277SS..EExtended strand (participates in β ladder)trans-106.7112.9-178.2-61.3178.5000110R23 I24 I25 Y58 F86R23-H56 PolarHBondContact O-N 3.35Å; I24-H56 WeakPolarHBondContact CA-O 3.46Å; I24-H56 HydrophobicContact CG1-CB 4.15Å; I25-H56 PolarHBondContact N-O 3.39Å; H56-Y58 HydrophobicContact CB-CD2 4.47Å; H56-Y58 HydrophobicContact CB-CE2 3.99Å; H56-F86 HydrophobicContact CB-CD2 4.5Å; H56-F86 HydrophobicContact CB-CE2 3.97Å
57L98.8Very high98.2Very high0 Ų057 Ų570%031%0.305CS..EExtended strand (participates in β ladder)trans-101.8108.1178.9-177.462.9000110.2I25 L27 I59 M76 V83 A84 T85 F86I25-L57 HydrophobicContact CB-CD1 3.91Å; I25-L57 HydrophobicContact CG2-CD1 3.7Å; L27-L57 HydrophobicContact CB-CD1 4.08Å; L57-I59 HydrophobicContact CD2-CD1 4.16Å; L57-I59 HydrophobicContact CD2-CG1 4.31Å; L57-I59 HydrophobicContact CG-CD1 4.3Å; L57-I59 HydrophobicContact CG-CG1 3.98Å; L57-M76 HydrophobicContact CD2-CE 4.16Å; L57-M76 HydrophobicContact CD2-SD 3.83Å; L57-V83 HydrophobicContact CB-CG1 3.99Å; L57-A84 PolarHBondContact N-O 2.92Å; L57-T85 HydrophobicContact CB-CG2 4.39Å; L57-T85 HydrophobicContact CD2-CG2 4.42Å; L57-T85 CarbonylContact O-C 3.52Å; L57-T85 WeakPolarHBondContact O-CA 3.42Å; L57-F86 PolarHBondContact O-N 3.28Å
58Y98.7Very high98.2Very high68 Ų6855.7 Ų55.727%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-90.3127.8174.3-73.7-100.7000110I24 I25 L27 M28 H56 F86 I88I24-Y58 HydrophobicContact CG1-CE2 4.35Å; I24-Y58 HydrophobicContact CG2-CD2 3.73Å; I24-Y58 HydrophobicContact CG2-CE2 3.92Å; I25-Y58 PolarHBondContact O-N 3.36Å; L27-Y58 PolarHBondContact N-O 2.99Å; M28-Y58 WeakPolarHBondContact CE-O 3.22Å; H56-Y58 HydrophobicContact CB-CD2 4.47Å; H56-Y58 HydrophobicContact CB-CE2 3.99Å; Y58-F86 HydrophobicContact CD1-CB 3.69Å; Y58-F86 HydrophobicContact CD1-CG 4.23Å; Y58-F86 HydrophobicContact CD2-CD2 4.35Å; Y58-F86 HydrophobicContact CE1-CB 3.85Å; Y58-F86 HydrophobicContact CE1-CD1 4.3Å; Y58-F86 HydrophobicContact CE1-CD2 4.38Å; Y58-F86 AromaticContact CE1-CG 3.94Å; Y58-F86 HydrophobicContact CE1-CG 3.94Å; Y58-F86 HydrophobicContact CE2-CD2 4.1Å; Y58-F86 HydrophobicContact CE2-CE2 4.48Å; Y58-F86 HydrophobicContact CE2-CG 4.47Å; Y58-F86 HydrophobicContact CG-CB 4.15Å; Y58-I88 HydrophobicContact CD1-CD1 4.07Å; Y58-I88 HydrophobicContact CD1-CG1 4.36Å; Y58-I88 HydrophobicContact CD1-CG2 3.82Å; Y58-I88 HydrophobicContact CE1-CG2 4.35Å
59I98.9Very high98.3Very high0 Ų052 Ų520%027%0.274CS..EExtended strand (participates in β ladder)trans-120.5119.6-170.9-57.7172.9000109.1L57 T85 F86 I88 A91 L98 L99L57-I59 HydrophobicContact CD2-CD1 4.16Å; L57-I59 HydrophobicContact CD2-CG1 4.31Å; L57-I59 HydrophobicContact CG-CD1 4.3Å; L57-I59 HydrophobicContact CG-CG1 3.98Å; I59-T85 HydrophobicContact CD1-CG2 4.35Å; I59-F86 PolarHBondContact N-O 2.74Å; I59-I88 PolarHBondContact O-N 2.9Å; I59-A91 HydrophobicContact CG2-CB 4.17Å; I59-L98 HydrophobicContact CD1-CB 4.17Å; I59-L99 HydrophobicContact CD1-CB 4.08Å; I59-L99 HydrophobicContact CD1-CD1 4.49Å
60N98.8Very high98.3Very high62 Ų6247.1 Ų47.133%0.33225%0.252SS..EExtended strand (participates in β ladder)trans-131.589.3161.9-172.12.7000108.1L27 M28 G29 I88 Q90L27-N60 PolarHBondContact O-N 3.31Å; M28-N60 HydrophobicContact SD-CB 3.57Å; M28-N60 VanDerWaalsContact SD-CB 3.57Å; G29-N60 PolarHBondContact N-O 2.99Å; N60-I88 HydrophobicContact CB-CG1 4.29Å; N60-I88 VanDerWaalsContact CB-O 3.25Å; N60-I88 WeakPolarHBondContact CB-O 3.48Å; N60-I88 PolarHBondContact ND2-O 3.01Å; N60-Q90 CarbonylContact C-O 3.56Å; N60-Q90 VanDerWaalsContact CA-O 3.27Å; N60-Q90 WeakPolarHBondContact CA-O 3.45Å; N60-Q90 WeakPolarHBondContact OD1-CG 3.44Å; N60-Q90 PolarHBondContact OD1-N 2.84Å
61S98.9Very high98.4Very high0 Ų047 Ų470%026%0.257CS..EExtended strand (participates in β ladder)trans-141.8134.2-168.8-173.60000113.1G29 G63 Q90 S92G29-S61 VanDerWaalsContact O-CB 3.26Å; G29-S61 WeakPolarHBondContact O-CB 3.08Å; G29-S61 PolarHBondContact O-OG 2.8Å; S61-G63 PolarHBondContact O-N 2.95Å; S61-G63 PolarHBondContact OG-N 2.91Å; S61-G63 VanDerWaalsContact OG-N 3.07Å; S61-Q90 PolarHBondContact N-O 3.3Å; S61-S92 PolarHBondContact O-N 2.78Å
62P98.6Very high98.5Very high66 Ų6642 Ų4243%0.42924%0.236SC..  trans-76.21.2167.934.8-35.9000113S92P62-S92 CarbonylContact C-O 3.6Å; P62-S92 VanDerWaalsContact C-O 3.3Å
63G98.5Very high98.6Very high3 Ų332.5 Ų32.53%0.03120%0.2CC..  trans89.8-155.5-171.200000112.1A30 V31 S61 S92A30-G63 CarbonylContact C-O 3.4Å; A30-G63 VanDerWaalsContact CA-O 3.28Å; A30-G63 WeakPolarHBondContact CA-O 3.31Å; V31-G63 PolarHBondContact N-O 2.81Å; S61-G63 PolarHBondContact O-N 2.95Å; S61-G63 PolarHBondContact OG-N 2.91Å; S61-G63 VanDerWaalsContact OG-N 3.07Å; G63-S92 WeakPolarHBondContact CA-O 3.44Å; G63-S92 PolarHBondContact N-O 3Å; G63-S92 VanDerWaalsContact N-O 3.09Å
64G98.3Very high98.6Very high40 Ų4034.2 Ų34.241%0.41221%0.207SC..BIsolated β-bridgetrans157.9-140.9-177.400000113.1V31 V66V31-G64 CarbonylContact O-C 3.53Å; V31-G64 WeakPolarHBondContact O-CA 3.42Å; G64-V66 PolarHBondContact O-N 3.3Å
65S98.2Very high98.7Very high43 Ų4332.6 Ų32.630%0.30120%0.195SC..  trans-60.4124.7180169.80000111.3V31 T67 A68 G69V31-S65 PolarHBondContact O-N 3.17Å; S65-T67 PolarHBondContact OG-OG1 2.86Å; S65-T67 VanDerWaalsContact OG-OG1 3.11Å; S65-A68 PolarHBondContact O-N 3.27Å; S65-A68 PolarHBondContact OG-N 2.91Å; S65-G69 PolarHBondContact O-N 2.76Å
66V98.2Very high98.7Very high32 Ų3233 Ų3319%0.19420%0.197CC..Hα-helixtrans-62.9-44.6178.5175.10000110.9G64 A68 G69 L70 M94 P120 T141 I145G64-V66 PolarHBondContact O-N 3.3Å; V66-A68 PolarHBondContact O-N 2.86Å; V66-G69 PolarHBondContact O-N 2.97Å; V66-L70 HydrophobicContact CG1-CD1 3.83Å; V66-L70 HydrophobicContact CG1-CG 4.2Å; V66-L70 WeakPolarHBondContact O-CB 3.43Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.43Å; V66-L70 PolarHBondContact O-N 3.4Å; V66-M94 HydrophobicContact CB-SD 4.39Å; V66-M94 HydrophobicContact CG1-SD 4.29Å; V66-M94 HydrophobicContact CG2-CG 4.42Å; V66-M94 HydrophobicContact CG2-SD 4.24Å; V66-P120 HydrophobicContact CG2-CB 4.26Å; V66-T141 HydrophobicContact CG1-CG2 3.64Å; V66-I145 HydrophobicContact CG1-CD1 3.92Å; V66-I145 HydrophobicContact CG2-CD1 4.32Å
67T98.2Very high98.7Very high100 Ų10033.6 Ų33.661%0.61320%0.201SC*.Hα-helixtrans-65.5-40.8-179.650.80000111.7S65 L70 A71S65-T67 PolarHBondContact OG-OG1 2.86Å; S65-T67 VanDerWaalsContact OG-OG1 3.11Å; T67-L70 PolarHBondContact O-N 2.89Å; T67-A71 PolarHBondContact O-N 3.06Å
68A98.7Very high98.7Very high3 Ų341.3 Ų41.33%0.02523%0.234CC..Hα-helixtrans-63-45.2175.700000111.4V31 A36 S65 V66 A71 I72V31-A68 HydrophobicContact CG1-CB 4.01Å; A36-A68 HydrophobicContact CB-CB 3.89Å; A36-A68 WeakPolarHBondContact CB-O 3.36Å; S65-A68 PolarHBondContact O-N 3.27Å; S65-A68 PolarHBondContact OG-N 2.91Å; V66-A68 PolarHBondContact O-N 2.86Å; A68-A71 WeakPolarHBondContact O-CB 3.31Å; A68-A71 PolarHBondContact O-N 2.79Å; A68-I72 PolarHBondContact O-N 2.89Å
69G98.8Very high98.7Very high0 Ų038.7 Ų38.70%023%0.225CC..Hα-helixtrans-67.1-36.7177.300000112.9S65 V66 A71 I72 Y73 M94S65-G69 PolarHBondContact O-N 2.76Å; V66-G69 PolarHBondContact O-N 2.97Å; G69-A71 VanDerWaalsContact C-N 3.31Å; G69-A71 PolarHBondContact O-N 2.79Å; G69-I72 PolarHBondContact O-N 2.82Å; G69-Y73 WeakPolarHBondContact O-CB 3.4Å; G69-Y73 PolarHBondContact O-N 2.91Å; G69-M94 VanDerWaalsContact C-CE 3.5Å
70L98.8Very high98.6Very high34 Ų3447.1 Ų47.118%0.17826%0.256CS..Hα-helixtrans-66.1-33.2174.4-73.4176.2000112.2V66 T67 Y73 D74 M94 I148V66-L70 HydrophobicContact CG1-CD1 3.83Å; V66-L70 HydrophobicContact CG1-CG 4.2Å; V66-L70 WeakPolarHBondContact O-CB 3.43Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.43Å; V66-L70 PolarHBondContact O-N 3.4Å; T67-L70 PolarHBondContact O-N 2.89Å; L70-Y73 WeakPolarHBondContact O-CB 3.44Å; L70-Y73 PolarHBondContact O-N 3.32Å; L70-D74 PolarHBondContact O-N 2.89Å; L70-M94 HydrophobicContact CG-CE 4.33Å; L70-I148 HydrophobicContact CD2-CD1 3.56Å
71A98.9Very high98.6Very high41 Ų4144.3 Ų44.334%0.33924%0.242SC..Hα-helixtrans-64.8-40.7173.700000112.3I40 T67 A68 G69 T75I40-A71 HydrophobicContact CD1-CB 3.71Å; T67-A71 PolarHBondContact O-N 3.06Å; A68-A71 WeakPolarHBondContact O-CB 3.31Å; A68-A71 PolarHBondContact O-N 2.79Å; G69-A71 VanDerWaalsContact C-N 3.31Å; G69-A71 PolarHBondContact O-N 2.79Å; A71-T75 WeakPolarHBondContact O-CB 3.27Å; A71-T75 PolarHBondContact O-N 3.35Å; A71-T75 VanDerWaalsContact O-N 3.16Å; A71-T75 PolarHBondContact O-OG1 3.44Å
72I98.9Very high98.6Very high0 Ų046.6 Ų46.60%026%0.257CS..Hα-helixtrans-64.1-47.7172.5-59.7170000109.8L27 V31 A36 V39 I40 L43 A68 G69 D74 T75 M76 L98L27-I72 HydrophobicContact CD1-CD1 4.02Å; V31-I72 HydrophobicContact CG1-CD1 4.2Å; A36-I72 HydrophobicContact CB-CD1 3.88Å; A36-I72 HydrophobicContact CB-CG1 3.75Å; V39-I72 HydrophobicContact CB-CD1 4.34Å; V39-I72 HydrophobicContact CB-CG1 4.42Å; V39-I72 HydrophobicContact CG1-CD1 4.38Å; V39-I72 HydrophobicContact CG1-CG1 4.32Å; V39-I72 HydrophobicContact CG1-CG2 3.78Å; I40-I72 HydrophobicContact CD1-CG1 4.48Å; I40-I72 HydrophobicContact CG1-CG1 4.28Å; L43-I72 HydrophobicContact CD1-CG2 4.47Å; A68-I72 PolarHBondContact O-N 2.89Å; G69-I72 PolarHBondContact O-N 2.82Å; I72-D74 PolarHBondContact O-N 2.85Å; I72-T75 WeakPolarHBondContact O-CB 3.38Å; I72-T75 PolarHBondContact O-N 3.09Å; I72-M76 HydrophobicContact CG2-CG 4.3Å; I72-M76 HydrophobicContact CG2-SD 3.96Å; I72-M76 WeakPolarHBondContact O-CG 3.48Å; I72-M76 PolarHBondContact O-N 2.98Å; I72-L98 HydrophobicContact CB-CD1 4.31Å; I72-L98 HydrophobicContact CB-CD2 3.9Å; I72-L98 HydrophobicContact CD1-CD1 3.98Å; I72-L98 HydrophobicContact CG2-CD1 4.17Å; I72-L98 HydrophobicContact CG2-CD2 3.73Å
73Y98.9Very high98.6Very high8 Ų843.6 Ų43.63%0.03124%0.237CC..Hα-helixtrans-53.6-55179.2168.5-93.8000111.6G69 L70 T75 M76 Q77 L97 A101 I148 H152G69-Y73 WeakPolarHBondContact O-CB 3.4Å; G69-Y73 PolarHBondContact O-N 2.91Å; L70-Y73 WeakPolarHBondContact O-CB 3.44Å; L70-Y73 PolarHBondContact O-N 3.32Å; Y73-T75 VanDerWaalsContact C-N 3.25Å; Y73-T75 PolarHBondContact O-N 3.11Å; Y73-M76 WeakPolarHBondContact O-CB 3.19Å; Y73-M76 PolarHBondContact O-N 3.22Å; Y73-M76 VanDerWaalsContact O-N 3.09Å; Y73-Q77 HydrophobicContact CD1-CG 4.41Å; Y73-Q77 HydrophobicContact CD2-CG 4.43Å; Y73-Q77 HydrophobicContact CE1-CG 3.98Å; Y73-Q77 HydrophobicContact CE2-CG 4.01Å; Y73-Q77 WeakPolarHBondContact O-CG 3.48Å; Y73-Q77 PolarHBondContact O-N 2.76Å; Y73-L97 HydrophobicContact CD2-CD2 3.8Å; Y73-L97 HydrophobicContact CG-CD2 4.18Å; Y73-A101 HydrophobicContact CD2-CB 3.47Å; Y73-A101 VanDerWaalsContact CD2-CB 3.47Å; Y73-A101 HydrophobicContact CE2-CB 3.71Å; Y73-I148 HydrophobicContact CD1-CD1 4.22Å; Y73-I148 HydrophobicContact CD2-CG2 4.14Å; Y73-I148 HydrophobicContact CE1-CD1 3.95Å; Y73-I148 HydrophobicContact CE1-CG1 4.23Å; Y73-I148 HydrophobicContact CE2-CD1 4.49Å; Y73-I148 HydrophobicContact CE2-CG1 4.46Å; Y73-I148 HydrophobicContact CE2-CG2 3.49Å; Y73-I148 VanDerWaalsContact CE2-CG2 3.49Å; Y73-H152 AromaticContact CE2-NE2 3.44Å; Y73-H152 WeakPolarHBondContact CE2-NE2 3.48Å; Y73-H152 AromaticContact CZ-NE2 3.91Å; Y73-H152 PolarHBondContact OH-NE2 2.98Å
74D98.9Very high98.6Very high99 Ų9943.8 Ų43.853%0.52924%0.238SC..Hα-helixtrans-62-37.3-178.5-78.4-21.3000111L70 I72 Q77 F78L70-D74 PolarHBondContact O-N 2.89Å; I72-D74 PolarHBondContact O-N 2.85Å; D74-Q77 PolarHBondContact O-N 2.92Å; D74-F78 WeakPolarHBondContact O-CB 3.38Å; D74-F78 PolarHBondContact O-N 3.34Å
75T98.9Very high98.6Very high20 Ų2041.9 Ų41.912%0.12322%0.219CC..Hα-helixtrans-62.9-45.4174.5-56.20000111.4I40 L43 L44 A71 I72 Y73 Q77 F78 I79I40-T75 HydrophobicContact CG1-CG2 4.48Å; I40-T75 HydrophobicContact CG2-CG2 4.12Å; L43-T75 HydrophobicContact CB-CG2 3.9Å; L43-T75 HydrophobicContact CD1-CG2 3.81Å; L44-T75 HydrophobicContact CD2-CG2 4.38Å; L44-T75 HydrophobicContact CG-CG2 4.38Å; A71-T75 WeakPolarHBondContact O-CB 3.27Å; A71-T75 PolarHBondContact O-N 3.35Å; A71-T75 VanDerWaalsContact O-N 3.16Å; A71-T75 PolarHBondContact O-OG1 3.44Å; I72-T75 WeakPolarHBondContact O-CB 3.38Å; I72-T75 PolarHBondContact O-N 3.09Å; Y73-T75 VanDerWaalsContact C-N 3.25Å; Y73-T75 PolarHBondContact O-N 3.11Å; T75-Q77 VanDerWaalsContact C-N 3.26Å; T75-Q77 PolarHBondContact O-N 3.31Å; T75-F78 PolarHBondContact O-N 2.6Å; T75-I79 HydrophobicContact CG2-CG2 4.23Å; T75-I79 WeakPolarHBondContact O-CG1 3.3Å; T75-I79 WeakPolarHBondContact O-CG2 3.32Å; T75-I79 PolarHBondContact O-N 2.93Å; T75-I79 VanDerWaalsContact O-N 3.08Å
76M98.8Very high98.6Very high8 Ų841 Ų414%0.03921%0.209CC..Hα-helixtrans-58.6-38176.1-69.5168.758.700112.1L43 L57 I72 Y73 V83 T85 L98 A101L43-M76 HydrophobicContact CD1-CG 3.94Å; L57-M76 HydrophobicContact CD2-CE 4.16Å; L57-M76 HydrophobicContact CD2-SD 3.83Å; I72-M76 HydrophobicContact CG2-CG 4.3Å; I72-M76 HydrophobicContact CG2-SD 3.96Å; I72-M76 WeakPolarHBondContact O-CG 3.48Å; I72-M76 PolarHBondContact O-N 2.98Å; Y73-M76 WeakPolarHBondContact O-CB 3.19Å; Y73-M76 PolarHBondContact O-N 3.22Å; Y73-M76 VanDerWaalsContact O-N 3.09Å; M76-V83 HydrophobicContact CB-CG2 4.29Å; M76-V83 HydrophobicContact CE-CB 4.26Å; M76-V83 HydrophobicContact CE-CG1 3.86Å; M76-V83 HydrophobicContact CG-CG1 4.39Å; M76-V83 HydrophobicContact CG-CG2 4.38Å; M76-T85 HydrophobicContact CE-CG2 3.88Å; M76-L98 HydrophobicContact SD-CD2 3.97Å; M76-A101 HydrophobicContact CE-CB 4.02Å
77Q98.6Very high98.7Very high79 Ų7939.4 Ų39.437%0.36920%0.2SC..Hα-helixtrans-79.5-27.3178.9-53-42.9-69.800113Y73 D74 T75 A101Y73-Q77 HydrophobicContact CD1-CG 4.41Å; Y73-Q77 HydrophobicContact CD2-CG 4.43Å; Y73-Q77 HydrophobicContact CE1-CG 3.98Å; Y73-Q77 HydrophobicContact CE2-CG 4.01Å; Y73-Q77 WeakPolarHBondContact O-CG 3.48Å; Y73-Q77 PolarHBondContact O-N 2.76Å; D74-Q77 PolarHBondContact O-N 2.92Å; T75-Q77 VanDerWaalsContact C-N 3.26Å; T75-Q77 PolarHBondContact O-N 3.31Å; Q77-A101 PolarHBondContact NE2-O 3.2Å
78F98.5Very high98.6Very high162 Ų16236.9 Ų36.971%0.71118%0.182SC*.Hα-helixtrans-79.7-35.7-176.3175.8-105000112.9D74 T75D74-F78 WeakPolarHBondContact O-CB 3.38Å; D74-F78 PolarHBondContact O-N 3.34Å; T75-F78 PolarHBondContact O-N 2.6Å
79I98.6Very high98.6Very high12 Ų1238.7 Ų38.76%0.06220%0.201CC..SBendtrans-71.8155.5-17966.8173.1000112.1L43 L44 Q47 I55 T75 V83L43-I79 HydrophobicContact CB-CD1 4.23Å; L43-I79 HydrophobicContact CD2-CD1 3.88Å; L44-I79 HydrophobicContact CD2-CG2 4.2Å; Q47-I79 HydrophobicContact CB-CB 4.36Å; Q47-I79 HydrophobicContact CB-CG2 4.31Å; Q47-I79 HydrophobicContact CG-CB 4.49Å; I55-I79 HydrophobicContact CD1-CD1 3.71Å; T75-I79 HydrophobicContact CG2-CG2 4.23Å; T75-I79 WeakPolarHBondContact O-CG1 3.3Å; T75-I79 WeakPolarHBondContact O-CG2 3.32Å; T75-I79 PolarHBondContact O-N 2.93Å; T75-I79 VanDerWaalsContact O-N 3.08Å; I79-V83 HydrophobicContact CD1-CG2 3.88Å; I79-V83 HydrophobicContact CG1-CG2 4.39Å
80R98.3Very high98.6Very high177 Ų17742 Ų4267%0.66822%0.216SC*.SBendtrans-77.2-41.6180-64.7-175.6-176.1165.90.3114.8K51K51-R80 HydrophobicContact CB-CB 4.31Å
81P98.4Very high98.6Very high3 Ų340.3 Ų40.32%0.01921%0.208CC..SBendtrans-59.6137176.7-25.135.4000111Q47 D50 I55Q47-P81 HydrophobicContact CB-CG 4.17Å; Q47-P81 HydrophobicContact CG-CG 4.49Å; D50-P81 WeakPolarHBondContact O-CG 3.37Å; I55-P81 HydrophobicContact CD1-CB 3.92Å; I55-P81 HydrophobicContact CD1-CG 4.15Å; I55-P81 HydrophobicContact CG1-CB 4.03Å
82P98.2Very high98.6Very high49 Ų4938.6 Ų38.632%0.31819%0.193SC..  trans-64.3142.9169.528.6-33.3000109.7P54 I55 S103P54-P82 CarbonylContact C-O 3.55Å; P54-P82 VanDerWaalsContact CA-O 3.3Å; P54-P82 WeakPolarHBondContact CA-O 3.33Å; P54-P82 HydrophobicContact CB-CG 4.04Å; P54-P82 HydrophobicContact CG-CG 3.88Å; I55-P82 PolarHBondContact N-O 2.75Å; P82-S103 VanDerWaalsContact CA-OG 3.3Å; P82-S103 WeakPolarHBondContact CA-OG 3.22Å; P82-S103 WeakPolarHBondContact CB-OG 3.3Å
83V98.8Very high98.6Very high2 Ų239.6 Ų39.61%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-107.7108.6178.9-174.40000108.5L43 I55 L57 M76 I79 T85 G102 S103L43-V83 HydrophobicContact CD2-CG2 4.37Å; I55-V83 CarbonylContact O-C 3.53Å; I55-V83 WeakPolarHBondContact O-CA 3.28Å; L57-V83 HydrophobicContact CB-CG1 3.99Å; M76-V83 HydrophobicContact CB-CG2 4.29Å; M76-V83 HydrophobicContact CE-CB 4.26Å; M76-V83 HydrophobicContact CE-CG1 3.86Å; M76-V83 HydrophobicContact CG-CG1 4.39Å; M76-V83 HydrophobicContact CG-CG2 4.38Å; I79-V83 HydrophobicContact CD1-CG2 3.88Å; I79-V83 HydrophobicContact CG1-CG2 4.39Å; V83-T85 HydrophobicContact CG1-CG2 4.49Å; V83-G102 CarbonylContact O-C 3.6Å; V83-G102 VanDerWaalsContact O-CA 3.28Å; V83-G102 WeakPolarHBondContact O-CA 3.25Å; V83-S103 PolarHBondContact N-OG 2.88Å; V83-S103 PolarHBondContact O-N 3.09Å
84A98.6Very high98.6Very high7 Ų739.4 Ų39.46%0.05820%0.199CC..EExtended strand (participates in β ladder)trans-81.5133.8171.600000109.6I55 L57 F86 C106 F108I55-A84 PolarHBondContact O-N 2.98Å; L57-A84 PolarHBondContact N-O 2.92Å; A84-F86 HydrophobicContact CB-CE2 3.75Å; A84-F86 HydrophobicContact CB-CZ 4.28Å; A84-C106 CarbonylContact C-O 3.54Å; A84-C106 VanDerWaalsContact CA-O 3.22Å; A84-C106 WeakPolarHBondContact CA-O 3.36Å; A84-C106 HydrophobicContact CB-CB 3.89Å; A84-F108 HydrophobicContact CB-CE2 4.45Å
85T98.9Very high98.6Very high0 Ų034.7 Ų34.70%017%0.174CC..EExtended strand (participates in β ladder)trans-114.2139.8-17753.40000111.2L57 I59 M76 V83 L99 C106 R107 F108L57-T85 HydrophobicContact CB-CG2 4.39Å; L57-T85 HydrophobicContact CD2-CG2 4.42Å; L57-T85 CarbonylContact O-C 3.52Å; L57-T85 WeakPolarHBondContact O-CA 3.42Å; I59-T85 HydrophobicContact CD1-CG2 4.35Å; M76-T85 HydrophobicContact CE-CG2 3.88Å; V83-T85 HydrophobicContact CG1-CG2 4.49Å; T85-L99 PolarHBondContact OG1-O 2.99Å; T85-C106 PolarHBondContact N-O 3.08Å; T85-R107 WeakPolarHBondContact OG1-CA 3.45Å; T85-F108 PolarHBondContact O-N 3.4Å
86F98.6Very high98.6Very high24 Ų2433.7 Ų33.711%0.10517%0.168CC..EExtended strand (participates in β ladder)trans-133.3112.4-177.5-61-98.8000110H56 L57 Y58 I59 A84 I88 F108 L185H56-F86 HydrophobicContact CB-CD2 4.5Å; H56-F86 HydrophobicContact CB-CE2 3.97Å; L57-F86 PolarHBondContact O-N 3.28Å; Y58-F86 HydrophobicContact CD1-CB 3.69Å; Y58-F86 HydrophobicContact CD1-CG 4.23Å; Y58-F86 HydrophobicContact CD2-CD2 4.35Å; Y58-F86 HydrophobicContact CE1-CB 3.85Å; Y58-F86 HydrophobicContact CE1-CD1 4.3Å; Y58-F86 HydrophobicContact CE1-CD2 4.38Å; Y58-F86 AromaticContact CE1-CG 3.94Å; Y58-F86 HydrophobicContact CE1-CG 3.94Å; Y58-F86 HydrophobicContact CE2-CD2 4.1Å; Y58-F86 HydrophobicContact CE2-CE2 4.48Å; Y58-F86 HydrophobicContact CE2-CG 4.47Å; Y58-F86 HydrophobicContact CG-CB 4.15Å; I59-F86 PolarHBondContact N-O 2.74Å; A84-F86 HydrophobicContact CB-CE2 3.75Å; A84-F86 HydrophobicContact CB-CZ 4.28Å; F86-I88 PolarHBondContact O-N 3.45Å; F86-F108 CarbonylContact C-O 3.52Å; F86-F108 WeakPolarHBondContact CA-O 3.35Å; F86-F108 HydrophobicContact CD1-CB 3.76Å; F86-F108 AromaticContact CD1-CD2 3.7Å; F86-F108 HydrophobicContact CD1-CD2 3.7Å; F86-F108 HydrophobicContact CD1-CG 4.09Å; F86-F108 HydrophobicContact CD2-CD2 4.48Å; F86-F108 HydrophobicContact CE1-CB 4.1Å; F86-F108 AromaticContact CE1-CD2 3.26Å; F86-F108 HydrophobicContact CE1-CD2 3.26Å; F86-F108 AromaticContact CE1-CE2 3.9Å; F86-F108 HydrophobicContact CE1-CE2 3.9Å; F86-F108 AromaticContact CE1-CG 3.91Å; F86-F108 HydrophobicContact CE1-CG 3.91Å; F86-F108 HydrophobicContact CE2-CD2 4.11Å; F86-F108 HydrophobicContact CE2-CE2 4.5Å; F86-F108 HydrophobicContact CG-CB 4.42Å; F86-F108 HydrophobicContact CG-CD2 4.29Å; F86-F108 AromaticContact CZ-CD2 3.49Å; F86-F108 HydrophobicContact CZ-CD2 3.49Å; F86-F108 VanDerWaalsContact CZ-CD2 3.49Å; F86-F108 AromaticContact CZ-CE2 3.77Å; F86-F108 HydrophobicContact CZ-CE2 3.77Å; F86-L185 HydrophobicContact CD1-CD1 4.07Å; F86-L185 HydrophobicContact CE1-CD1 3.78Å
87C98.8Very high98.6Very high0 Ų033.3 Ų33.30%017%0.166CC..EExtended strand (participates in β ladder)trans-79.7116.6170.5-175.40000110.1A91 L99 F108 A109 L110 S113C87-A91 HydrophobicContact CB-CB 4.26Å; C87-A91 VanDerWaalsContact SG-CB 3.54Å; C87-A91 PolarHBondContact SG-N 3.49Å; C87-A91 VanDerWaalsContact SG-N 3.45Å; C87-L99 HydrophobicContact CB-CD1 3.79Å; C87-L99 HydrophobicContact CB-CD2 3.66Å; C87-L99 HydrophobicContact CB-CG 4.37Å; C87-F108 PolarHBondContact N-O 3.02Å; C87-A109 HydrophobicContact CB-CB 4.2Å; C87-L110 PolarHBondContact O-N 3.42Å; C87-L110 VanDerWaalsContact O-N 3.11Å; C87-S113 PolarHBondContact O-OG 3.15Å; C87-S113 VanDerWaalsContact SG-CB 3.56Å
88I97.7Very high98.6Very high47 Ų4729.6 Ų29.624%0.24115%0.149CC..EExtended strand (participates in β ladder)trans-120.189.4178.455.8159.4000110.5M28 Y58 I59 N60 F86 L110M28-I88 HydrophobicContact CE-CD1 3.7Å; M28-I88 HydrophobicContact CE-CG1 4.27Å; M28-I88 HydrophobicContact SD-CD1 4.33Å; Y58-I88 HydrophobicContact CD1-CD1 4.07Å; Y58-I88 HydrophobicContact CD1-CG1 4.36Å; Y58-I88 HydrophobicContact CD1-CG2 3.82Å; Y58-I88 HydrophobicContact CE1-CG2 4.35Å; I59-I88 PolarHBondContact O-N 2.9Å; N60-I88 HydrophobicContact CB-CG1 4.29Å; N60-I88 VanDerWaalsContact CB-O 3.25Å; N60-I88 WeakPolarHBondContact CB-O 3.48Å; N60-I88 PolarHBondContact ND2-O 3.01Å; F86-I88 PolarHBondContact O-N 3.45Å; I88-L110 HydrophobicContact CB-CD1 4.28Å; I88-L110 HydrophobicContact CG2-CD1 3.63Å; I88-L110 HydrophobicContact CG2-CG 3.95Å
89G98.5Very high98.6Very high40 Ų4021.9 Ų21.941%0.41212%0.115SC..EExtended strand (participates in β ladder)trans105.1-77.3-177.300000111.5S113 S114G89-S113 PolarHBondContact N-OG 3.19Å; G89-S113 CarbonylContact O-C 3.3Å; G89-S113 VanDerWaalsContact O-CA 3.3Å; G89-S113 WeakPolarHBondContact O-CA 3.38Å; G89-S114 PolarHBondContact O-N 3.48Å
90Q98.7Very high98.6Very high69 Ų6921.3 Ų21.332%0.32211%0.112SC..EExtended strand (participates in β ladder)trans-142.1151173.165.2170-44.900114.8N60 S61 S92 S114N60-Q90 CarbonylContact C-O 3.56Å; N60-Q90 VanDerWaalsContact CA-O 3.27Å; N60-Q90 WeakPolarHBondContact CA-O 3.45Å; N60-Q90 WeakPolarHBondContact OD1-CG 3.44Å; N60-Q90 PolarHBondContact OD1-N 2.84Å; S61-Q90 PolarHBondContact N-O 3.3Å; Q90-S92 PolarHBondContact OE1-OG 3.23Å; Q90-S114 CarbonylContact C-O 3.54Å; Q90-S114 WeakPolarHBondContact CA-O 3.3Å
91A98.8Very high98.6Very high0 Ų013 Ų130%08%0.081CC..EExtended strand (participates in β ladder)trans-135.898.4165.900000108I59 C87 S96 L99 S114 I115 M116I59-A91 HydrophobicContact CG2-CB 4.17Å; C87-A91 HydrophobicContact CB-CB 4.26Å; C87-A91 VanDerWaalsContact SG-CB 3.54Å; C87-A91 PolarHBondContact SG-N 3.49Å; C87-A91 VanDerWaalsContact SG-N 3.45Å; A91-S96 VanDerWaalsContact O-CB 3.26Å; A91-S96 WeakPolarHBondContact O-CB 3.36Å; A91-L99 HydrophobicContact CB-CB 4.11Å; A91-L99 HydrophobicContact CB-CD2 3.71Å; A91-S114 PolarHBondContact N-O 2.98Å; A91-I115 WeakPolarHBondContact O-CA 3.11Å; A91-M116 PolarHBondContact O-N 3.08Å
92S98.6Very high98.6Very high4 Ų413 Ų133%0.0288%0.082CC..EExtended strand (participates in β ladder)trans-116.7144.6-173.9-56.10000110.6S61 P62 G63 Q90 M94 G95 M116S61-S92 PolarHBondContact O-N 2.78Å; P62-S92 CarbonylContact C-O 3.6Å; P62-S92 VanDerWaalsContact C-O 3.3Å; G63-S92 WeakPolarHBondContact CA-O 3.44Å; G63-S92 PolarHBondContact N-O 3Å; G63-S92 VanDerWaalsContact N-O 3.09Å; Q90-S92 PolarHBondContact OE1-OG 3.23Å; S92-M94 PolarHBondContact O-N 2.98Å; S92-G95 WeakPolarHBondContact O-CA 3.4Å; S92-G95 PolarHBondContact O-N 3.4Å; S92-M116 CarbonylContact C-O 3.51Å; S92-M116 WeakPolarHBondContact CA-O 3.33Å
93S98.4Very high98.6Very high22 Ų2212.6 Ų12.615%0.1548%0.08CC..THydrogen-bonded Turntrans53.7-118.6176.5-174.60000112.8G95 S96 L97 M116 H118 Y149S93-G95 PolarHBondContact O-N 2.89Å; S93-S96 PolarHBondContact N-OG 2.83Å; S93-S96 PolarHBondContact O-N 3.28Å; S93-S96 VanDerWaalsContact O-N 3.15Å; S93-S96 PolarHBondContact O-OG 3.45Å; S93-L97 PolarHBondContact O-N 3.2Å; S93-M116 PolarHBondContact N-O 3.49Å; S93-H118 VanDerWaalsContact CB-NE2 3.25Å; S93-H118 WeakPolarHBondContact CB-NE2 3.49Å; S93-H118 PolarHBondContact OG-CD2 3.03Å; S93-H118 PolarHBondContact OG-NE2 2.99Å; S93-Y149 PolarHBondContact O-OH 2.97Å
94M98.6Very high98.6Very high3 Ų319.9 Ų19.92%0.01511%0.114CC..Hα-helixtrans-61.5-24.1174.2-71-51.9-63.300113.5V31 V66 G69 L70 S92 L97 L98V31-M94 HydrophobicContact CG2-CB 4.31Å; V66-M94 HydrophobicContact CB-SD 4.39Å; V66-M94 HydrophobicContact CG1-SD 4.29Å; V66-M94 HydrophobicContact CG2-CG 4.42Å; V66-M94 HydrophobicContact CG2-SD 4.24Å; G69-M94 VanDerWaalsContact C-CE 3.5Å; L70-M94 HydrophobicContact CG-CE 4.33Å; S92-M94 PolarHBondContact O-N 2.98Å; M94-L97 HydrophobicContact CE-CB 4.48Å; M94-L97 HydrophobicContact CE-CD1 4.17Å; M94-L97 HydrophobicContact CE-CD2 4.01Å; M94-L97 HydrophobicContact CE-CG 4.46Å; M94-L97 HydrophobicContact SD-CD1 4.32Å; M94-L98 VanDerWaalsContact O-CG 3.28Å; M94-L98 WeakPolarHBondContact O-CG 3.36Å; M94-L98 PolarHBondContact O-N 3.27Å; M94-L98 VanDerWaalsContact O-N 3.08Å
95G98.7Very high98.5Very high0 Ų021.4 Ų21.40%013%0.13CC..Hα-helixtrans-65.4-42.1172.900000112.8S92 S93 L98 L99S92-G95 WeakPolarHBondContact O-CA 3.4Å; S92-G95 PolarHBondContact O-N 3.4Å; S93-G95 PolarHBondContact O-N 2.89Å; G95-L98 PolarHBondContact O-N 3.03Å; G95-L99 WeakPolarHBondContact O-CB 3.41Å; G95-L99 PolarHBondContact O-N 3.33Å
96S98.7Very high98.5Very high0 Ų023.7 Ų23.70%015%0.145CC..Hα-helixtrans-70.8-33.817641.60000112.2A91 S93 L99 A100 M116 Y149A91-S96 VanDerWaalsContact O-CB 3.26Å; A91-S96 WeakPolarHBondContact O-CB 3.36Å; S93-S96 PolarHBondContact N-OG 2.83Å; S93-S96 PolarHBondContact O-N 3.28Å; S93-S96 VanDerWaalsContact O-N 3.15Å; S93-S96 PolarHBondContact O-OG 3.45Å; S96-L99 WeakPolarHBondContact O-CB 3.49Å; S96-L99 PolarHBondContact O-N 3.16Å; S96-A100 WeakPolarHBondContact O-CB 3.38Å; S96-A100 PolarHBondContact O-N 3.01Å; S96-M116 WeakPolarHBondContact CB-O 3.4Å; S96-M116 PolarHBondContact OG-O 3.31Å; S96-Y149 PolarHBondContact OG-OH 3.49Å
97L98.8Very high98.5Very high0 Ų022.9 Ų22.90%014%0.142CC..Hα-helixtrans-62.7-46.7174.3-175.8149.8000110.7Y73 S93 M94 L99 A100 A101 I145 I148 Y149Y73-L97 HydrophobicContact CD2-CD2 3.8Å; Y73-L97 HydrophobicContact CG-CD2 4.18Å; S93-L97 PolarHBondContact O-N 3.2Å; M94-L97 HydrophobicContact CE-CB 4.48Å; M94-L97 HydrophobicContact CE-CD1 4.17Å; M94-L97 HydrophobicContact CE-CD2 4.01Å; M94-L97 HydrophobicContact CE-CG 4.46Å; M94-L97 HydrophobicContact SD-CD1 4.32Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 3.08Å; L97-A100 PolarHBondContact O-N 3.49Å; L97-A101 VanDerWaalsContact O-CB 3.32Å; L97-A101 WeakPolarHBondContact O-CB 3.46Å; L97-A101 PolarHBondContact O-N 3.34Å; L97-I145 HydrophobicContact CD1-CG1 4.29Å; L97-I145 HydrophobicContact CD1-CG2 4.05Å; L97-I148 HydrophobicContact CD1-CB 4.38Å; L97-I148 HydrophobicContact CD1-CD1 4.33Å; L97-I148 HydrophobicContact CD1-CG2 4.05Å; L97-I148 HydrophobicContact CD2-CG2 4.15Å; L97-I148 HydrophobicContact CG-CG2 3.95Å; L97-Y149 WeakPolarHBondContact CA-OH 3.27Å; L97-Y149 HydrophobicContact CB-CE2 4.34Å; L97-Y149 HydrophobicContact CD1-CE2 4.34Å; L97-Y149 PolarHBondContact N-OH 3.4Å
98L98.9Very high98.4Very high0 Ų024.3 Ų24.30%015%0.148CC..Hα-helixtrans-66.1-35.2177.4-68.8174.9000112.2L27 V31 I59 I72 M76 M94 G95 A101L27-L98 HydrophobicContact CD1-CD1 3.58Å; V31-L98 HydrophobicContact CG2-CD1 4.44Å; I59-L98 HydrophobicContact CD1-CB 4.17Å; I72-L98 HydrophobicContact CB-CD1 4.31Å; I72-L98 HydrophobicContact CB-CD2 3.9Å; I72-L98 HydrophobicContact CD1-CD1 3.98Å; I72-L98 HydrophobicContact CG2-CD1 4.17Å; I72-L98 HydrophobicContact CG2-CD2 3.73Å; M76-L98 HydrophobicContact SD-CD2 3.97Å; M94-L98 VanDerWaalsContact O-CG 3.28Å; M94-L98 WeakPolarHBondContact O-CG 3.36Å; M94-L98 PolarHBondContact O-N 3.27Å; M94-L98 VanDerWaalsContact O-N 3.08Å; G95-L98 PolarHBondContact O-N 3.03Å; L98-A101 PolarHBondContact O-N 2.79Å
99L98.9Very high98.5Very high0 Ų022.1 Ų22.10%014%0.137CC..Hα-helixtrans-60-49.7171.5177.865.6000111.3I59 T85 C87 A91 G95 S96 L97 A101 G102 I115 I180 V181I59-L99 HydrophobicContact CD1-CB 4.08Å; I59-L99 HydrophobicContact CD1-CD1 4.49Å; T85-L99 PolarHBondContact OG1-O 2.99Å; C87-L99 HydrophobicContact CB-CD1 3.79Å; C87-L99 HydrophobicContact CB-CD2 3.66Å; C87-L99 HydrophobicContact CB-CG 4.37Å; A91-L99 HydrophobicContact CB-CB 4.11Å; A91-L99 HydrophobicContact CB-CD2 3.71Å; G95-L99 WeakPolarHBondContact O-CB 3.41Å; G95-L99 PolarHBondContact O-N 3.33Å; S96-L99 WeakPolarHBondContact O-CB 3.49Å; S96-L99 PolarHBondContact O-N 3.16Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 3.08Å; L99-A101 PolarHBondContact O-N 2.93Å; L99-G102 PolarHBondContact O-N 3.35Å; L99-I115 HydrophobicContact CD2-CG1 3.88Å; L99-I180 HydrophobicContact CD2-CG2 4.1Å; L99-I180 HydrophobicContact CG-CG2 4.42Å; L99-V181 HydrophobicContact CD1-CG1 3.83Å; L99-V181 HydrophobicContact CD2-CG1 3.6Å; L99-V181 HydrophobicContact CG-CG1 3.66Å
100A98.7Very high98.5Very high1 Ų123.6 Ų23.61%0.00814%0.135CC..Hα-helixtrans-63.7-28.6179.400000113S96 L97 G102 R107 Y149 H152 I180S96-A100 WeakPolarHBondContact O-CB 3.38Å; S96-A100 PolarHBondContact O-N 3.01Å; L97-A100 PolarHBondContact O-N 3.49Å; A100-G102 VanDerWaalsContact C-N 3.25Å; A100-G102 PolarHBondContact O-N 3.03Å; A100-R107 WeakPolarHBondContact O-CD 3.47Å; A100-R107 PolarHBondContact O-NH1 2.7Å; A100-Y149 HydrophobicContact CB-CD1 4.41Å; A100-Y149 HydrophobicContact CB-CE1 4.28Å; A100-H152 HydrophobicContact CB-CB 4.29Å; A100-H152 WeakPolarHBondContact O-CB 3.46Å; A100-I180 WeakPolarHBondContact CA-O 3.37Å; A100-I180 HydrophobicContact CB-CG2 4.17Å
101A98.7Very high98.4Very high2 Ų222.6 Ų22.62%0.01714%0.135CC..THydrogen-bonded Turntrans-77.2-2.3-176.800000115.1Y73 M76 Q77 L97 L98 L99Y73-A101 HydrophobicContact CD2-CB 3.47Å; Y73-A101 VanDerWaalsContact CD2-CB 3.47Å; Y73-A101 HydrophobicContact CE2-CB 3.71Å; M76-A101 HydrophobicContact CE-CB 4.02Å; Q77-A101 PolarHBondContact NE2-O 3.2Å; L97-A101 VanDerWaalsContact O-CB 3.32Å; L97-A101 WeakPolarHBondContact O-CB 3.46Å; L97-A101 PolarHBondContact O-N 3.34Å; L98-A101 PolarHBondContact O-N 2.79Å; L99-A101 PolarHBondContact O-N 2.93Å
102G98.8Very high98.4Very high3 Ų331.3 Ų31.33%0.03118%0.175CC..SBendtrans-60.9159.8171.700000112.2V83 L99 A100 H104 R107V83-G102 CarbonylContact O-C 3.6Å; V83-G102 VanDerWaalsContact O-CA 3.28Å; V83-G102 WeakPolarHBondContact O-CA 3.25Å; L99-G102 PolarHBondContact O-N 3.35Å; A100-G102 VanDerWaalsContact C-N 3.25Å; A100-G102 PolarHBondContact O-N 3.03Å; G102-H104 PolarHBondContact O-N 3.03Å; G102-R107 WeakPolarHBondContact O-CD 3.38Å
103S98.3Very high98.4Very high40 Ų4031.4 Ų31.428%0.2818%0.175SC..PPolyproline II helixtrans-59.2137177.7-610000110.9P82 V83 G105 C106P82-S103 VanDerWaalsContact CA-OG 3.3Å; P82-S103 WeakPolarHBondContact CA-OG 3.22Å; P82-S103 WeakPolarHBondContact CB-OG 3.3Å; V83-S103 PolarHBondContact N-OG 2.88Å; V83-S103 PolarHBondContact O-N 3.09Å; S103-G105 PolarHBondContact O-N 3.43Å; S103-C106 WeakPolarHBondContact O-CA 3.44Å; S103-C106 WeakPolarHBondContact O-CB 3.25Å; S103-C106 PolarHBondContact O-N 3.48Å
104H97.3Very high98.4Very high156 Ų15632.5 Ų32.572%0.72218%0.183SC*.THydrogen-bonded Turntrans-54.8131.7-177.9-177.269.8000112G102 C106G102-H104 PolarHBondContact O-N 3.03Å; H104-C106 VanDerWaalsContact C-N 3.26Å
105G97.4Very high98.4Very high39 Ų3932.3 Ų32.340%0.40218%0.182SC..THydrogen-bonded Turntrans82.6-3.1-174.300000114.4S103 D182S103-G105 PolarHBondContact O-N 3.43Å; G105-D182 VanDerWaalsContact C-OD2 3.24Å; G105-D182 VanDerWaalsContact CA-CG 3.48Å; G105-D182 WeakPolarHBondContact CA-OD2 3.3Å; G105-D182 VanDerWaalsContact N-CG 3.33Å; G105-D182 PolarHBondContact N-OD1 3.26Å; G105-D182 PolarHBondContact N-OD2 3.31Å
106C97.6Very high98.4Very high47 Ų4733.1 Ų33.132%0.31819%0.186SC..  trans-124.927.3-178.2-60.60000113.3A84 T85 S103 H104 F108 D182A84-C106 CarbonylContact C-O 3.54Å; A84-C106 VanDerWaalsContact CA-O 3.22Å; A84-C106 WeakPolarHBondContact CA-O 3.36Å; A84-C106 HydrophobicContact CB-CB 3.89Å; T85-C106 PolarHBondContact N-O 3.08Å; S103-C106 WeakPolarHBondContact O-CA 3.44Å; S103-C106 WeakPolarHBondContact O-CB 3.25Å; S103-C106 PolarHBondContact O-N 3.48Å; H104-C106 VanDerWaalsContact C-N 3.26Å; C106-F108 VanDerWaalsContact C-CE2 3.4Å; C106-F108 HydrophobicContact CB-CE2 4.2Å; C106-F108 HydrophobicContact CB-CZ 4.41Å; C106-F108 WeakPolarHBondContact O-CD2 3.39Å; C106-F108 WeakPolarHBondContact O-CE2 3.49Å; C106-D182 PolarHBondContact N-OD2 3.49Å
107R98.7Very high98.4Very high8 Ų833.2 Ų33.23%0.0319%0.187CC..EExtended strand (participates in β ladder)trans-108.3124.1176.6-52.9169.4-64.3165.79.4109.3T85 A100 G102 H152 G179 I180 V181 D182 R183T85-R107 WeakPolarHBondContact OG1-CA 3.45Å; A100-R107 WeakPolarHBondContact O-CD 3.47Å; A100-R107 PolarHBondContact O-NH1 2.7Å; G102-R107 WeakPolarHBondContact O-CD 3.38Å; R107-H152 PolarHBondContact NH1-O 3.28Å; R107-G179 VanDerWaalsContact CZ-O 3.28Å; R107-G179 PolarHBondContact NH1-O 3.47Å; R107-G179 PolarHBondContact NH2-O 2.82Å; R107-I180 PolarHBondContact NH1-O 3.07Å; R107-V181 HydrophobicContact CB-CB 4.35Å; R107-V181 HydrophobicContact CB-CG1 4.37Å; R107-D182 VanDerWaalsContact CB-OD2 3.24Å; R107-D182 WeakPolarHBondContact CB-OD2 3.42Å; R107-D182 WeakPolarHBondContact CG-OD2 3.38Å; R107-D182 IonicContact CZ-OD1 3.22Å; R107-D182 IonicContact CZ-OD2 2.75Å; R107-D182 PolarHBondContact N-OD2 3.36Å; R107-D182 IonicContact NE-OD1 2.75Å; R107-D182 PolarHBondContact NE-OD1 3.04Å; R107-D182 IonicContact NE-OD2 3.96Å; R107-D182 PolarHBondContact NE-OD2 2.91Å; R107-D182 IonicContact NH2-OD1 2.76Å; R107-D182 PolarHBondContact NH2-OD1 3.11Å; R107-D182 IonicContact NH2-OD2 3.27Å; R107-D182 WeakPolarHBondContact O-CA 3.28Å; R107-D182 WeakPolarHBondContact O-CB 3.49Å; R107-D182 PolarHBondContact O-N 3.44Å; R107-R183 PolarHBondContact O-N 3.04Å
108F98.6Very high98.4Very high29 Ų2935.2 Ų35.213%0.12720%0.196CC..EExtended strand (participates in β ladder)trans-132.8149.3-167.8-52.7-70000112.2A84 T85 F86 C87 C106 R183 L185A84-F108 HydrophobicContact CB-CE2 4.45Å; T85-F108 PolarHBondContact O-N 3.4Å; F86-F108 CarbonylContact C-O 3.52Å; F86-F108 WeakPolarHBondContact CA-O 3.35Å; F86-F108 HydrophobicContact CD1-CB 3.76Å; F86-F108 AromaticContact CD1-CD2 3.7Å; F86-F108 HydrophobicContact CD1-CD2 3.7Å; F86-F108 HydrophobicContact CD1-CG 4.09Å; F86-F108 HydrophobicContact CD2-CD2 4.48Å; F86-F108 HydrophobicContact CE1-CB 4.1Å; F86-F108 AromaticContact CE1-CD2 3.26Å; F86-F108 HydrophobicContact CE1-CD2 3.26Å; F86-F108 AromaticContact CE1-CE2 3.9Å; F86-F108 HydrophobicContact CE1-CE2 3.9Å; F86-F108 AromaticContact CE1-CG 3.91Å; F86-F108 HydrophobicContact CE1-CG 3.91Å; F86-F108 HydrophobicContact CE2-CD2 4.11Å; F86-F108 HydrophobicContact CE2-CE2 4.5Å; F86-F108 HydrophobicContact CG-CB 4.42Å; F86-F108 HydrophobicContact CG-CD2 4.29Å; F86-F108 AromaticContact CZ-CD2 3.49Å; F86-F108 HydrophobicContact CZ-CD2 3.49Å; F86-F108 VanDerWaalsContact CZ-CD2 3.49Å; F86-F108 AromaticContact CZ-CE2 3.77Å; F86-F108 HydrophobicContact CZ-CE2 3.77Å; C87-F108 PolarHBondContact N-O 3.02Å; C106-F108 VanDerWaalsContact C-CE2 3.4Å; C106-F108 HydrophobicContact CB-CE2 4.2Å; C106-F108 HydrophobicContact CB-CZ 4.41Å; C106-F108 WeakPolarHBondContact O-CD2 3.39Å; C106-F108 WeakPolarHBondContact O-CE2 3.49Å; F108-R183 WeakPolarHBondContact CA-O 2.88Å; F108-R183 HydrophobicContact CD1-CB 4.1Å; F108-R183 HydrophobicContact CE1-CB 4.38Å; F108-L185 HydrophobicContact CB-CD1 3.68Å; F108-L185 HydrophobicContact CB-CG 4Å; F108-L185 HydrophobicContact CD1-CD1 3.79Å; F108-L185 HydrophobicContact CD1-CD2 4.04Å; F108-L185 HydrophobicContact CD1-CG 3.87Å; F108-L185 HydrophobicContact CD2-CD1 4.23Å; F108-L185 HydrophobicContact CE1-CD1 4.49Å; F108-L185 HydrophobicContact CE1-CD2 4.44Å; F108-L185 HydrophobicContact CG-CD1 3.62Å; F108-L185 HydrophobicContact CG-CG 4.1Å
109A98.6Very high98.2Very high1 Ų137.9 Ų37.91%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-128.1147.9168.100000110.3C87 I115 A172 V181 R183 V184 L185C87-A109 HydrophobicContact CB-CB 4.2Å; A109-I115 HydrophobicContact CB-CD1 4.44Å; A109-A172 HydrophobicContact CB-CB 3.87Å; A109-V181 HydrophobicContact CB-CG1 4.29Å; A109-V181 HydrophobicContact CB-CG2 4.15Å; A109-R183 PolarHBondContact N-O 3.36Å; A109-R183 VanDerWaalsContact N-O 3.14Å; A109-V184 CarbonylContact O-C 3.54Å; A109-V184 VanDerWaalsContact O-CA 3.29Å; A109-V184 WeakPolarHBondContact O-CA 3.41Å; A109-L185 PolarHBondContact O-N 3.07Å
110L98.4Very high98.1Very high71 Ų7138.5 Ų38.537%0.37221%0.212SC..  trans-79.7160.3166.1-61.8-169.9000110.8C87 I88 H112 S113 A172 L185C87-L110 PolarHBondContact O-N 3.42Å; C87-L110 VanDerWaalsContact O-N 3.11Å; I88-L110 HydrophobicContact CB-CD1 4.28Å; I88-L110 HydrophobicContact CG2-CD1 3.63Å; I88-L110 HydrophobicContact CG2-CG 3.95Å; L110-H112 PolarHBondContact O-N 3.19Å; L110-H112 VanDerWaalsContact O-N 3.1Å; L110-S113 PolarHBondContact N-OG 2.93Å; L110-S113 VanDerWaalsContact O-CB 3.27Å; L110-S113 WeakPolarHBondContact O-CB 3.47Å; L110-S113 PolarHBondContact O-N 2.77Å; L110-S113 PolarHBondContact O-OG 3.33Å; L110-A172 VanDerWaalsContact O-CB 3.31Å; L110-A172 WeakPolarHBondContact O-CB 3.14Å; L110-L185 HydrophobicContact CD2-CB 4.24Å; L110-L185 WeakPolarHBondContact CD2-O 3.41Å
111P98Very high97.9Very high49 Ų4943.5 Ų43.532%0.31825%0.247SC..THydrogen-bonded Turntrans-63.9-25.2-166.1-24.436.3000115.1V184 L185 H186P111-V184 HydrophobicContact CB-CG1 4.2Å; P111-V184 HydrophobicContact CG-CG1 4.03Å; P111-L185 WeakPolarHBondContact CD-O 3.33Å; P111-H186 HydrophobicContact CG-CB 4.46Å; P111-H186 WeakPolarHBondContact CG-ND1 3.33Å
112H98.2Very high97.5Very high183 Ų18346.1 Ų46.185%0.84727%0.274SS*.THydrogen-bonded Turntrans-107.513.6179-59.3-51.5000112.9L110L110-H112 PolarHBondContact O-N 3.19Å; L110-H112 VanDerWaalsContact O-N 3.1Å
113S98.4Very high97Very high5 Ų550.8 Ų50.84%0.03531%0.307CS..  trans-68.6137.8175-69.90000110.8C87 G89 L110 A172C87-S113 PolarHBondContact O-OG 3.15Å; C87-S113 VanDerWaalsContact SG-CB 3.56Å; G89-S113 PolarHBondContact N-OG 3.19Å; G89-S113 CarbonylContact O-C 3.3Å; G89-S113 VanDerWaalsContact O-CA 3.3Å; G89-S113 WeakPolarHBondContact O-CA 3.38Å; L110-S113 PolarHBondContact N-OG 2.93Å; L110-S113 VanDerWaalsContact O-CB 3.27Å; L110-S113 WeakPolarHBondContact O-CB 3.47Å; L110-S113 PolarHBondContact O-N 2.77Å; L110-S113 PolarHBondContact O-OG 3.33Å; S113-A172 PolarHBondContact O-N 2.96Å
114S98.6Very high96.6Very high45 Ų4550.5 Ų50.532%0.31531%0.307SS..EExtended strand (participates in β ladder)trans-104.9125.8173.8-175.60000109.9G89 Q90 A91G89-S114 PolarHBondContact O-N 3.48Å; Q90-S114 CarbonylContact C-O 3.54Å; Q90-S114 WeakPolarHBondContact CA-O 3.3Å; A91-S114 PolarHBondContact N-O 2.98Å
115I98.8Very high96.3Very high0 Ų050.8 Ų50.80%031%0.308CS..EExtended strand (participates in β ladder)trans-109.2130.8176.9-6479.3000107A91 L99 A109 F169 M170 A175 I180A91-I115 WeakPolarHBondContact O-CA 3.11Å; L99-I115 HydrophobicContact CD2-CG1 3.88Å; A109-I115 HydrophobicContact CB-CD1 4.44Å; I115-F169 CarbonylContact O-C 3.57Å; I115-F169 WeakPolarHBondContact O-CA 3.15Å; I115-M170 HydrophobicContact CB-CB 4.27Å; I115-M170 HydrophobicContact CG2-SD 4.46Å; I115-M170 PolarHBondContact N-O 3.34Å; I115-M170 PolarHBondContact O-N 3.3Å; I115-A175 HydrophobicContact CB-CB 4.22Å; I115-A175 HydrophobicContact CD1-CB 3.73Å; I115-A175 HydrophobicContact CG1-CB 3.86Å; I115-I180 HydrophobicContact CG2-CD1 3.9Å; I115-I180 HydrophobicContact CG2-CG2 4.19Å
116M98.6Very high96.2Very high17 Ų1751.7 Ų51.78%0.08432%0.317CS..EExtended strand (participates in β ladder)trans-129.7134.2175.8-179.7-83.4-85.700110.7A91 S92 S93 S96 H118 Y168 F169A91-M116 PolarHBondContact O-N 3.08Å; S92-M116 CarbonylContact C-O 3.51Å; S92-M116 WeakPolarHBondContact CA-O 3.33Å; S93-M116 PolarHBondContact N-O 3.49Å; S96-M116 WeakPolarHBondContact CB-O 3.4Å; S96-M116 PolarHBondContact OG-O 3.31Å; M116-H118 HydrophobicContact SD-CB 4.1Å; M116-Y168 WeakPolarHBondContact CA-O 3.32Å; M116-F169 HydrophobicContact CB-CD1 3.74Å; M116-F169 HydrophobicContact CB-CE1 3.78Å; M116-F169 HydrophobicContact CB-CG 4.29Å; M116-F169 HydrophobicContact CB-CZ 4.35Å; M116-F169 HydrophobicContact CG-CD1 3.95Å; M116-F169 HydrophobicContact CG-CD2 4.2Å; M116-F169 HydrophobicContact CG-CE1 3.77Å; M116-F169 HydrophobicContact CG-CE2 4.03Å; M116-F169 HydrophobicContact CG-CG 4.16Å; M116-F169 HydrophobicContact CG-CZ 3.82Å
117V98.4Very high96Very high2 Ų256 Ų561%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-120.5146.5174-58.80000109.8Y149 W163 M164 Y168 M170 I180V117-Y149 HydrophobicContact CG1-CE1 4.05Å; V117-W163 HydrophobicContact CG2-CB 3.94Å; V117-M164 HydrophobicContact CB-SD 3.75Å; V117-M164 HydrophobicContact CG2-SD 4.22Å; V117-Y168 HydrophobicContact CG2-CD1 4.28Å; V117-Y168 PolarHBondContact N-O 3.48Å; V117-Y168 PolarHBondContact O-N 3Å; V117-M170 HydrophobicContact CG2-CE 4Å; V117-I180 HydrophobicContact CG1-CD1 4Å
118H97.8Very high95.8Very high42 Ų4259.7 Ų59.719%0.19437%0.365CS..  trans-161.8162.6174.270.7177.8000111S93 M116 M164 D167S93-H118 VanDerWaalsContact CB-NE2 3.25Å; S93-H118 WeakPolarHBondContact CB-NE2 3.49Å; S93-H118 PolarHBondContact OG-CD2 3.03Å; S93-H118 PolarHBondContact OG-NE2 2.99Å; M116-H118 HydrophobicContact SD-CB 4.1Å; H118-M164 CarbonylContact C-O 3.59Å; H118-M164 WeakPolarHBondContact O-CE 3.26Å; H118-D167 WeakPolarHBondContact CB-OD1 3.13Å; H118-D167 IonicContact CG-OD1 3.47Å; H118-D167 IonicContact ND1-OD1 2.75Å; H118-D167 PolarHBondContact ND1-OD1 2.92Å
119Q96.6Very high95.7Very high56 Ų5661.3 Ų61.326%0.26238%0.38SS..  trans-64.7151.1173.262.3-176.2-47.800112.1R142 M164 D165Q119-R142 HydrophobicContact CB-CG 4.48Å; Q119-M164 VanDerWaalsContact CB-O 3.24Å; Q119-M164 WeakPolarHBondContact CB-O 3.25Å; Q119-M164 WeakPolarHBondContact CG-O 3.15Å; Q119-M164 PolarHBondContact N-O 2.68Å; Q119-D165 PolarHBondContact NE2-O 3.02Å
120P96.2Very high95.6Very high12 Ų1264.7 Ų64.78%0.07840%0.398CS..  trans-61.9145.417328.9-36.1000110.3V66 L138 T141 R142 I145V66-P120 HydrophobicContact CG2-CB 4.26Å; P120-L138 HydrophobicContact CB-CD1 4.05Å; P120-L138 HydrophobicContact CG-CD1 4.13Å; P120-T141 HydrophobicContact CB-CG2 4.42Å; P120-T141 HydrophobicContact CG-CG2 4.36Å; P120-R142 HydrophobicContact CG-CB 3.79Å; P120-R142 HydrophobicContact CG-CG 4.36Å; P120-I145 HydrophobicContact CB-CD1 3.97Å; P120-I145 HydrophobicContact CG-CD1 3.98Å
121S93.1Very high95.5Very high106 Ų10664.7 Ų64.774%0.74140%0.398SS*.  trans-113.1150.4174.156.40000110.5
122G90.6Very high95.4Very high57 Ų5768.5 Ų68.559%0.58841%0.409SS*.  trans-164.1161.4179.100000110.8
123S88.3Confident95.4Very high102 Ų10264.7 Ų64.771%0.71339%0.394SS*.  trans-127.715317662.70000110.3
124A90.4Very high95.2Very high33 Ų3372.6 Ų72.627%0.27342%0.423SS..  trans-140.5141178.600000109.8R134A124-R134 HydrophobicContact CB-CB 3.59Å; A124-R134 HydrophobicContact CB-CG 4.15Å
125H90.9Very high95.1Very high163 Ų16372.6 Ų72.676%0.75543%0.426SS*.  trans-142.8150.6178.2-53.589.3000108.4
126G94.7Very high95Very high57 Ų5777.6 Ų77.659%0.58845%0.449SS*.SBendtrans130.1-154.1178.800000112.6I131G126-I131 WeakPolarHBondContact O-CD1 3.32Å
127Q95.2Very high94.9Very high137 Ų13780.9 Ų80.964%0.6446%0.464SS*.SBendtrans-65.9155.9178.1-62.5-174.4-42.400110.7S129 D130 I131Q127-S129 PolarHBondContact O-N 2.66Å; Q127-S129 VanDerWaalsContact O-N 3.14Å; Q127-D130 PolarHBondContact N-OD2 3.06Å; Q127-D130 PolarHBondContact O-N 2.9Å; Q127-I131 PolarHBondContact O-N 3.23Å
128A94.6Very high94.9Very high86 Ų8683.5 Ų83.571%0.71148%0.478SS*.Hα-helixtrans-54.6-35.317900000112.6K132A128-K132 WeakPolarHBondContact O-CB 3.38Å; A128-K132 PolarHBondContact O-N 2.95Å
129S96.3Very high94.8Very high64 Ų6486.3 Ų86.345%0.44849%0.493SS..Hα-helixtrans-62.1-45.3173.142.80000112.9Q127 K132 I133Q127-S129 PolarHBondContact O-N 2.66Å; Q127-S129 VanDerWaalsContact O-N 3.14Å; S129-K132 PolarHBondContact O-N 2.81Å; S129-I133 WeakPolarHBondContact O-CG1 3.41Å; S129-I133 PolarHBondContact O-N 2.85Å; S129-I133 VanDerWaalsContact O-N 3.07Å
130D95.7Very high94.8Very high71 Ų7189.7 Ų89.738%0.3850%0.504SS..Hα-helixtrans-68.5-42-179.3-58.3-33.2000111.2Q127 K132 I133 R134Q127-D130 PolarHBondContact N-OD2 3.06Å; Q127-D130 PolarHBondContact O-N 2.9Å; D130-K132 VanDerWaalsContact C-N 3.31Å; D130-K132 PolarHBondContact O-N 3.42Å; D130-I133 PolarHBondContact O-N 3.15Å; D130-R134 WeakPolarHBondContact O-CG 3.33Å; D130-R134 PolarHBondContact O-N 3.36Å
131I96.2Very high94.9Very high72 Ų7290.1 Ų90.137%0.36951%0.506SS..Hα-helixtrans-59.1-45.8175.8-66.5172000110G126 Q127 R134 A135G126-I131 WeakPolarHBondContact O-CD1 3.32Å; Q127-I131 PolarHBondContact O-N 3.23Å; I131-R134 PolarHBondContact O-N 2.75Å; I131-A135 WeakPolarHBondContact O-CB 3.47Å; I131-A135 PolarHBondContact O-N 2.98Å
132K96.3Very high95.1Very high129 Ų12989.9 Ų89.956%0.56149%0.489SS*.Hα-helixtrans-59-49.7177.8-179.7-179.8170.2-176.80111.7A128 S129 D130 R134 A135 E136A128-K132 WeakPolarHBondContact O-CB 3.38Å; A128-K132 PolarHBondContact O-N 2.95Å; S129-K132 PolarHBondContact O-N 2.81Å; D130-K132 VanDerWaalsContact C-N 3.31Å; D130-K132 PolarHBondContact O-N 3.42Å; K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 3.01Å; K132-A135 PolarHBondContact O-N 3.47Å; K132-E136 WeakPolarHBondContact CE-OE1 3.44Å; K132-E136 IonicContact NZ-OE1 3.81Å; K132-E136 WeakPolarHBondContact O-CG 3.32Å; K132-E136 PolarHBondContact O-N 3.35Å
133I96.9Very high95.4Very high102 Ų10290.5 Ų90.552%0.52348%0.484SS..Hα-helixtrans-58.4-44.1-179.9-69.3164.2000111S129 D130 E136 E137S129-I133 WeakPolarHBondContact O-CG1 3.41Å; S129-I133 PolarHBondContact O-N 2.85Å; S129-I133 VanDerWaalsContact O-N 3.07Å; D130-I133 PolarHBondContact O-N 3.15Å; I133-E136 PolarHBondContact O-N 2.87Å; I133-E137 PolarHBondContact O-N 2.99Å; I133-E137 VanDerWaalsContact O-N 3.08Å
134R95.3Very high95.9Very high172 Ų17287.9 Ų87.965%0.64946%0.464SS*.Hα-helixtrans-68-38179.5-66.8-65.3-175.1166.31.1112.6A124 D130 I131 K132 E137 L138A124-R134 HydrophobicContact CB-CB 3.59Å; A124-R134 HydrophobicContact CB-CG 4.15Å; D130-R134 WeakPolarHBondContact O-CG 3.33Å; D130-R134 PolarHBondContact O-N 3.36Å; I131-R134 PolarHBondContact O-N 2.75Å; K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 3.01Å; R134-E137 PolarHBondContact O-N 3.35Å; R134-L138 PolarHBondContact O-N 2.96Å
135A95.8Very high96.3Very high45 Ų4586.7 Ų86.737%0.37245%0.453SS..Hα-helixtrans-64.9-43.3175.300000111.7I131 K132 E137 L138 I139I131-A135 WeakPolarHBondContact O-CB 3.47Å; I131-A135 PolarHBondContact O-N 2.98Å; K132-A135 PolarHBondContact O-N 3.47Å; A135-E137 VanDerWaalsContact C-N 3.33Å; A135-E137 PolarHBondContact O-N 3.07Å; A135-L138 PolarHBondContact O-N 2.9Å; A135-I139 WeakPolarHBondContact O-CG1 3.39Å; A135-I139 PolarHBondContact O-N 2.94Å
136E97.2Very high96.6Very high105 Ų10579.2 Ų79.249%0.49142%0.418SS..Hα-helixtrans-60.2-42.4175.8-73.6174168.500111.6K132 I133 I139 R140K132-E136 WeakPolarHBondContact CE-OE1 3.44Å; K132-E136 IonicContact NZ-OE1 3.81Å; K132-E136 WeakPolarHBondContact O-CG 3.32Å; K132-E136 PolarHBondContact O-N 3.35Å; I133-E136 PolarHBondContact O-N 2.87Å; E136-I139 PolarHBondContact O-N 2.96Å; E136-R140 WeakPolarHBondContact O-CB 3.35Å; E136-R140 PolarHBondContact O-N 3.05Å
137E97.2Very high96.8Very high85 Ų8579.7 Ų79.740%0.39741%0.41SS..Hα-helixtrans-66.4-37.2176.6178.758.5-171.600113.1I133 R134 A135 R140 T141I133-E137 PolarHBondContact O-N 2.99Å; I133-E137 VanDerWaalsContact O-N 3.08Å; R134-E137 PolarHBondContact O-N 3.35Å; A135-E137 VanDerWaalsContact C-N 3.33Å; A135-E137 PolarHBondContact O-N 3.07Å; E137-R140 PolarHBondContact O-N 3.22Å; E137-R140 IonicContact OE1-CZ 3.97Å; E137-R140 IonicContact OE1-NE 3.48Å; E137-R140 PolarHBondContact OE1-NE 3.2Å; E137-R140 IonicContact OE1-NH2 3.31Å; E137-R140 PolarHBondContact OE1-NH2 3.44Å; E137-R140 IonicContact OE2-CZ 3.02Å; E137-R140 IonicContact OE2-NE 2.98Å; E137-R140 PolarHBondContact OE2-NE 3Å; E137-R140 IonicContact OE2-NH2 3.11Å; E137-T141 WeakPolarHBondContact O-CB 3.28Å; E137-T141 PolarHBondContact O-N 3.26Å; E137-T141 PolarHBondContact O-OG1 3.38Å
138L96.5Very high96.9Very high57 Ų5773.9 Ų73.930%0.29838%0.383SS..Hα-helixtrans-65.7-41.7174.7-177.760.6000111.4P120 R134 A135 T141 R142P120-L138 HydrophobicContact CB-CD1 4.05Å; P120-L138 HydrophobicContact CG-CD1 4.13Å; R134-L138 PolarHBondContact O-N 2.96Å; A135-L138 PolarHBondContact O-N 2.9Å; L138-T141 PolarHBondContact O-N 3.46Å; L138-R142 PolarHBondContact O-N 3.18Å
139I96.6Very high97.1Very high101 Ų10170.1 Ų70.152%0.51835%0.351SS..Hα-helixtrans-62.6-44175-68.1165.7000110.5A135 E136 T141 R142 S143A135-I139 WeakPolarHBondContact O-CG1 3.39Å; A135-I139 PolarHBondContact O-N 2.94Å; E136-I139 PolarHBondContact O-N 2.96Å; I139-T141 VanDerWaalsContact C-N 3.34Å; I139-T141 PolarHBondContact O-N 3.38Å; I139-R142 WeakPolarHBondContact O-CB 3.29Å; I139-R142 PolarHBondContact O-N 2.87Å; I139-S143 PolarHBondContact O-N 3.45Å
140R97.6Very high97.2Very high128 Ų12870.4 Ų70.448%0.48335%0.345SS..Hα-helixtrans-59.3-46.5175-169.7-16569.674.71.4111.1E136 E137 R142 S143 V144E136-R140 WeakPolarHBondContact O-CB 3.35Å; E136-R140 PolarHBondContact O-N 3.05Å; E137-R140 PolarHBondContact O-N 3.22Å; E137-R140 IonicContact OE1-CZ 3.97Å; E137-R140 IonicContact OE1-NE 3.48Å; E137-R140 PolarHBondContact OE1-NE 3.2Å; E137-R140 IonicContact OE1-NH2 3.31Å; E137-R140 PolarHBondContact OE1-NH2 3.44Å; E137-R140 IonicContact OE2-CZ 3.02Å; E137-R140 IonicContact OE2-NE 2.98Å; E137-R140 PolarHBondContact OE2-NE 3Å; E137-R140 IonicContact OE2-NH2 3.11Å; R140-R142 VanDerWaalsContact C-N 3.34Å; R140-R142 PolarHBondContact O-N 2.73Å; R140-S143 WeakPolarHBondContact O-CB 3.37Å; R140-S143 PolarHBondContact O-N 3.05Å; R140-V144 WeakPolarHBondContact O-CG2 3.26Å; R140-V144 PolarHBondContact O-N 3.16Å
141T97.5Very high97.3Very high21 Ų2174.1 Ų74.113%0.12935%0.354CS..Hα-helixtrans-60.3-43.3178.4-61.40000111.6V66 P120 E137 L138 I139 S143 V144 I145V66-T141 HydrophobicContact CG1-CG2 3.64Å; P120-T141 HydrophobicContact CB-CG2 4.42Å; P120-T141 HydrophobicContact CG-CG2 4.36Å; E137-T141 WeakPolarHBondContact O-CB 3.28Å; E137-T141 PolarHBondContact O-N 3.26Å; E137-T141 PolarHBondContact O-OG1 3.38Å; L138-T141 PolarHBondContact O-N 3.46Å; I139-T141 VanDerWaalsContact C-N 3.34Å; I139-T141 PolarHBondContact O-N 3.38Å; T141-S143 VanDerWaalsContact C-N 3.34Å; T141-S143 PolarHBondContact O-N 3.46Å; T141-V144 PolarHBondContact O-N 3.31Å; T141-I145 HydrophobicContact CG2-CD1 4.11Å; T141-I145 WeakPolarHBondContact O-CG1 3.41Å; T141-I145 PolarHBondContact O-N 2.96Å
142R97.2Very high97.4Very high100 Ų10072 Ų7238%0.37734%0.342SS..Hα-helixtrans-57.7-46.5174-176179.174.71746.8111.6Q119 P120 L138 I139 R140 V144 I145 N146Q119-R142 HydrophobicContact CB-CG 4.48Å; P120-R142 HydrophobicContact CG-CB 3.79Å; P120-R142 HydrophobicContact CG-CG 4.36Å; L138-R142 PolarHBondContact O-N 3.18Å; I139-R142 WeakPolarHBondContact O-CB 3.29Å; I139-R142 PolarHBondContact O-N 2.87Å; R140-R142 VanDerWaalsContact C-N 3.34Å; R140-R142 PolarHBondContact O-N 2.73Å; R142-V144 VanDerWaalsContact C-N 3.34Å; R142-V144 PolarHBondContact O-N 3.47Å; R142-I145 PolarHBondContact O-N 3.29Å; R142-N146 PolarHBondContact O-N 3.32Å; R142-N146 PolarHBondContact O-OD1 2.89Å
143S97.4Very high97.5Very high70 Ų7066.2 Ų66.249%0.4932%0.318SS..Hα-helixtrans-61.2-41.2178.3179.20000112.3I139 R140 T141 N146 T147I139-S143 PolarHBondContact O-N 3.45Å; R140-S143 WeakPolarHBondContact O-CB 3.37Å; R140-S143 PolarHBondContact O-N 3.05Å; T141-S143 VanDerWaalsContact C-N 3.34Å; T141-S143 PolarHBondContact O-N 3.46Å; S143-N146 PolarHBondContact O-N 3.2Å; S143-T147 WeakPolarHBondContact O-CB 3.36Å; S143-T147 PolarHBondContact O-N 3.29Å; S143-T147 PolarHBondContact O-OG1 2.92Å
144V98.1Very high97.5Very high48 Ų4869 Ų6929%0.29133%0.326SS..Hα-helixtrans-60.9-49.1174.9170.20000111.3R140 T141 R142 N146 T147 I148R140-V144 WeakPolarHBondContact O-CG2 3.26Å; R140-V144 PolarHBondContact O-N 3.16Å; T141-V144 PolarHBondContact O-N 3.31Å; R142-V144 VanDerWaalsContact C-N 3.34Å; R142-V144 PolarHBondContact O-N 3.47Å; V144-N146 PolarHBondContact O-N 2.88Å; V144-T147 WeakPolarHBondContact O-CB 3.4Å; V144-T147 PolarHBondContact O-N 3.23Å; V144-I148 HydrophobicContact CG1-CD1 3.96Å; V144-I148 WeakPolarHBondContact O-CG1 3.37Å; V144-I148 PolarHBondContact O-N 3.36Å
145I98.2Very high97.6Very high8 Ų863.2 Ų63.24%0.04131%0.306CS..Hα-helixtrans-60-46.3179.6-70.8173.7000110.9V66 L97 P120 T141 R142 T147 I148 Y149 M164V66-I145 HydrophobicContact CG1-CD1 3.92Å; V66-I145 HydrophobicContact CG2-CD1 4.32Å; L97-I145 HydrophobicContact CD1-CG1 4.29Å; L97-I145 HydrophobicContact CD1-CG2 4.05Å; P120-I145 HydrophobicContact CB-CD1 3.97Å; P120-I145 HydrophobicContact CG-CD1 3.98Å; T141-I145 HydrophobicContact CG2-CD1 4.11Å; T141-I145 WeakPolarHBondContact O-CG1 3.41Å; T141-I145 PolarHBondContact O-N 2.96Å; R142-I145 PolarHBondContact O-N 3.29Å; I145-T147 VanDerWaalsContact C-N 3.31Å; I145-T147 PolarHBondContact O-N 2.79Å; I145-I148 WeakPolarHBondContact O-CB 3.38Å; I145-I148 PolarHBondContact O-N 3.46Å; I145-I148 VanDerWaalsContact O-N 3.16Å; I145-Y149 HydrophobicContact CG2-CD2 3.85Å; I145-Y149 HydrophobicContact CG2-CE2 3.74Å; I145-Y149 WeakPolarHBondContact O-CD2 3.37Å; I145-Y149 PolarHBondContact O-N 3Å; I145-M164 HydrophobicContact CG2-CE 3.39Å
146N98Very high97.7Very high5 Ų563.5 Ų63.53%0.02731%0.306CS..Hα-helixtrans-61.3-40.6178.2-71.79000111.8R142 S143 V144 I148 Y149 E150 I160R142-N146 PolarHBondContact O-N 3.32Å; R142-N146 PolarHBondContact O-OD1 2.89Å; S143-N146 PolarHBondContact O-N 3.2Å; V144-N146 PolarHBondContact O-N 2.88Å; N146-I148 VanDerWaalsContact C-N 3.32Å; N146-I148 PolarHBondContact O-N 3.39Å; N146-Y149 PolarHBondContact O-N 2.84Å; N146-E150 PolarHBondContact O-N 3.47Å; N146-I160 HydrophobicContact CB-CG2 3.85Å
147T98.3Very high97.7Very high68 Ų6860.9 Ų60.942%0.41729%0.293SS..Hα-helixtrans-62.6-38.4175.7-55.50000112.1S143 V144 I145 R151S143-T147 WeakPolarHBondContact O-CB 3.36Å; S143-T147 PolarHBondContact O-N 3.29Å; S143-T147 PolarHBondContact O-OG1 2.92Å; V144-T147 WeakPolarHBondContact O-CB 3.4Å; V144-T147 PolarHBondContact O-N 3.23Å; I145-T147 VanDerWaalsContact C-N 3.31Å; I145-T147 PolarHBondContact O-N 2.79Å; T147-R151 WeakPolarHBondContact O-CB 3.38Å; T147-R151 PolarHBondContact O-N 2.76Å
148I98.5Very high97.7Very high14 Ų1464 Ų647%0.07231%0.308CS..Hα-helixtrans-64.7-45.2175.6-68.7168.3000110.5L70 Y73 L97 V144 I145 N146 R151 H152L70-I148 HydrophobicContact CD2-CD1 3.56Å; Y73-I148 HydrophobicContact CD1-CD1 4.22Å; Y73-I148 HydrophobicContact CD2-CG2 4.14Å; Y73-I148 HydrophobicContact CE1-CD1 3.95Å; Y73-I148 HydrophobicContact CE1-CG1 4.23Å; Y73-I148 HydrophobicContact CE2-CD1 4.49Å; Y73-I148 HydrophobicContact CE2-CG1 4.46Å; Y73-I148 HydrophobicContact CE2-CG2 3.49Å; Y73-I148 VanDerWaalsContact CE2-CG2 3.49Å; L97-I148 HydrophobicContact CD1-CB 4.38Å; L97-I148 HydrophobicContact CD1-CD1 4.33Å; L97-I148 HydrophobicContact CD1-CG2 4.05Å; L97-I148 HydrophobicContact CD2-CG2 4.15Å; L97-I148 HydrophobicContact CG-CG2 3.95Å; V144-I148 HydrophobicContact CG1-CD1 3.96Å; V144-I148 WeakPolarHBondContact O-CG1 3.37Å; V144-I148 PolarHBondContact O-N 3.36Å; I145-I148 WeakPolarHBondContact O-CB 3.38Å; I145-I148 PolarHBondContact O-N 3.46Å; I145-I148 VanDerWaalsContact O-N 3.16Å; N146-I148 VanDerWaalsContact C-N 3.32Å; N146-I148 PolarHBondContact O-N 3.39Å; I148-R151 PolarHBondContact O-N 3.33Å; I148-H152 PolarHBondContact O-CD2 3.27Å; I148-H152 VanDerWaalsContact O-CD2 3.27Å; I148-H152 PolarHBondContact O-N 2.87Å
149Y98.4Very high97.7Very high8 Ų863.6 Ų63.63%0.03131%0.307CS..Hα-helixtrans-62.6-47.3175.9-82.7-66.7000112.2S93 S96 L97 A100 V117 I145 N146 R151 H152 T153 M164S93-Y149 PolarHBondContact O-OH 2.97Å; S96-Y149 PolarHBondContact OG-OH 3.49Å; L97-Y149 WeakPolarHBondContact CA-OH 3.27Å; L97-Y149 HydrophobicContact CB-CE2 4.34Å; L97-Y149 HydrophobicContact CD1-CE2 4.34Å; L97-Y149 PolarHBondContact N-OH 3.4Å; A100-Y149 HydrophobicContact CB-CD1 4.41Å; A100-Y149 HydrophobicContact CB-CE1 4.28Å; V117-Y149 HydrophobicContact CG1-CE1 4.05Å; I145-Y149 HydrophobicContact CG2-CD2 3.85Å; I145-Y149 HydrophobicContact CG2-CE2 3.74Å; I145-Y149 WeakPolarHBondContact O-CD2 3.37Å; I145-Y149 PolarHBondContact O-N 3Å; N146-Y149 PolarHBondContact O-N 2.84Å; Y149-R151 VanDerWaalsContact C-N 3.29Å; Y149-R151 PolarHBondContact O-N 2.78Å; Y149-H152 PolarHBondContact O-N 2.9Å; Y149-T153 HydrophobicContact CD1-CG2 4.34Å; Y149-T153 VanDerWaalsContact O-CB 3.3Å; Y149-T153 WeakPolarHBondContact O-CB 3.11Å; Y149-T153 VanDerWaalsContact O-CG2 3.32Å; Y149-T153 WeakPolarHBondContact O-CG2 3.45Å; Y149-T153 PolarHBondContact O-N 3.07Å; Y149-T153 PolarHBondContact O-OG1 3.14Å; Y149-M164 HydrophobicContact CD2-CE 4.08Å; Y149-M164 HydrophobicContact CD2-SD 4.13Å; Y149-M164 HydrophobicContact CE2-CE 3.85Å; Y149-M164 HydrophobicContact CE2-SD 3.89Å
150E98.1Very high97.7Very high70 Ų7058.9 Ų58.933%0.32728%0.283SS..Hα-helixtrans-54.2-47.3174.8168175.6-123.500111N146 H152 K154 Q155 Q157 I160N146-E150 PolarHBondContact O-N 3.47Å; E150-H152 VanDerWaalsContact C-N 3.31Å; E150-H152 PolarHBondContact O-N 3.04Å; E150-K154 VanDerWaalsContact O-CA 3.31Å; E150-K154 WeakPolarHBondContact O-CA 3.44Å; E150-K154 PolarHBondContact O-N 3.27Å; E150-Q155 WeakPolarHBondContact CG-O 3.45Å; E150-Q157 VanDerWaalsContact CD-NE2 3.28Å; E150-Q157 PolarHBondContact OE2-NE2 3.4Å; E150-I160 HydrophobicContact CB-CG1 4.47Å
151R98.2Very high97.7Very high149 Ų14957.9 Ų57.956%0.56228%0.284SS*.Hα-helixtrans-54.9-46.3179.6168.3-178.9-82.1-175.1-3.2112.1T147 I148 Y149 K154T147-R151 WeakPolarHBondContact O-CB 3.38Å; T147-R151 PolarHBondContact O-N 2.76Å; I148-R151 PolarHBondContact O-N 3.33Å; Y149-R151 VanDerWaalsContact C-N 3.29Å; Y149-R151 PolarHBondContact O-N 2.78Å; R151-K154 WeakPolarHBondContact O-CD 3.3Å; R151-K154 WeakPolarHBondContact O-CE 3.47Å; R151-K154 PolarHBondContact O-NZ 2.94Å
152H98.5Very high97.6Very high26 Ų2665 Ų6512%0.1231%0.314CS..Hα-helixtrans-89.7-32.1-171.3-73.2-61000113.5Y73 A100 R107 I148 Y149 E150Y73-H152 AromaticContact CE2-NE2 3.44Å; Y73-H152 WeakPolarHBondContact CE2-NE2 3.48Å; Y73-H152 AromaticContact CZ-NE2 3.91Å; Y73-H152 PolarHBondContact OH-NE2 2.98Å; A100-H152 HydrophobicContact CB-CB 4.29Å; A100-H152 WeakPolarHBondContact O-CB 3.46Å; R107-H152 PolarHBondContact NH1-O 3.28Å; I148-H152 PolarHBondContact O-CD2 3.27Å; I148-H152 VanDerWaalsContact O-CD2 3.27Å; I148-H152 PolarHBondContact O-N 2.87Å; Y149-H152 PolarHBondContact O-N 2.9Å; E150-H152 VanDerWaalsContact C-N 3.31Å; E150-H152 PolarHBondContact O-N 3.04Å
153T98Very high97.5Very high9 Ų961.4 Ų61.46%0.05530%0.3CS..Hα-helixtrans-89.8-21.1-179.664.80000113.3Y149 Q155 Y178 G179 I180Y149-T153 HydrophobicContact CD1-CG2 4.34Å; Y149-T153 VanDerWaalsContact O-CB 3.3Å; Y149-T153 WeakPolarHBondContact O-CB 3.11Å; Y149-T153 VanDerWaalsContact O-CG2 3.32Å; Y149-T153 WeakPolarHBondContact O-CG2 3.45Å; Y149-T153 PolarHBondContact O-N 3.07Å; Y149-T153 PolarHBondContact O-OG1 3.14Å; T153-Q155 PolarHBondContact O-N 2.84Å; T153-Q155 WeakPolarHBondContact OG1-CG 3.33Å; T153-Q155 PolarHBondContact OG1-N 3.41Å; T153-Y178 WeakPolarHBondContact CB-O 3.43Å; T153-G179 WeakPolarHBondContact CA-O 3.33Å; T153-I180 HydrophobicContact CG2-CG1 3.89Å
154K97.7Very high97.3Very high160 Ų16058.3 Ų58.370%0.69628%0.278SS*.  trans62.716-172.3-49.5-55.9-175.4-166.90114.5E150 R151E150-K154 VanDerWaalsContact O-CA 3.31Å; E150-K154 WeakPolarHBondContact O-CA 3.44Å; E150-K154 PolarHBondContact O-N 3.27Å; R151-K154 WeakPolarHBondContact O-CD 3.3Å; R151-K154 WeakPolarHBondContact O-CE 3.47Å; R151-K154 PolarHBondContact O-NZ 2.94Å
155Q97.6Very high97.2Very high51 Ų5159.8 Ų59.824%0.23828%0.284CS..  trans-79152.2172.7-59.4-68.8-15.800110.2E150 T153 V159 I160 W163 Y178E150-Q155 WeakPolarHBondContact CG-O 3.45Å; T153-Q155 PolarHBondContact O-N 2.84Å; T153-Q155 WeakPolarHBondContact OG1-CG 3.33Å; T153-Q155 PolarHBondContact OG1-N 3.41Å; Q155-V159 HydrophobicContact CB-CB 4.3Å; Q155-V159 HydrophobicContact CB-CG1 4.11Å; Q155-V159 HydrophobicContact CG-CG1 4.42Å; Q155-I160 HydrophobicContact CB-CD1 3.8Å; Q155-I160 HydrophobicContact CB-CG1 4.1Å; Q155-I160 HydrophobicContact CG-CD1 4.38Å; Q155-W163 HydrophobicContact CB-CH2 4.35Å; Q155-W163 HydrophobicContact CB-CZ3 4.45Å; Q155-W163 HydrophobicContact CG-CH2 3.55Å; Q155-W163 HydrophobicContact CG-CZ3 3.85Å; Q155-Y178 PolarHBondContact NE2-O 3.21Å; Q155-Y178 VanDerWaalsContact NE2-O 3.07Å
156S97.5Very high97.1Very high51 Ų5167.2 Ų67.236%0.35731%0.312SS..  trans-66.6153.4174.666.70000111.3E158 V159 I160S156-E158 PolarHBondContact O-N 3.09Å; S156-V159 PolarHBondContact O-N 3.36Å; S156-V159 WeakPolarHBondContact OG-CG2 3.28Å; S156-V159 PolarHBondContact OG-N 2.81Å; S156-I160 PolarHBondContact O-N 3.04Å
157Q96.3Very high97.1Very high49 Ų4971.7 Ų71.723%0.22934%0.335CS..Hα-helixtrans-49.2-41.4171.9-78.2-62.4-31.500112.8E150 V159 I160 E161E150-Q157 VanDerWaalsContact CD-NE2 3.28Å; E150-Q157 PolarHBondContact OE2-NE2 3.4Å; Q157-V159 VanDerWaalsContact C-N 3.32Å; Q157-V159 PolarHBondContact O-N 2.67Å; Q157-I160 PolarHBondContact O-N 2.92Å; Q157-E161 WeakPolarHBondContact O-CB 3.4Å; Q157-E161 VanDerWaalsContact O-CG 3.3Å; Q157-E161 WeakPolarHBondContact O-CG 3.33Å; Q157-E161 PolarHBondContact O-N 3.48Å
158E96.9Very high97.1Very high152 Ų15271.8 Ų71.871%0.7133%0.329SS*.Hα-helixtrans-61-39.5179.8-65.6156.1168.200112.5S156 K162S156-E158 PolarHBondContact O-N 3.09Å; E158-K162 WeakPolarHBondContact O-CB 3.43Å; E158-K162 PolarHBondContact O-N 3.07Å; E158-K162 VanDerWaalsContact O-N 3.16Å
159V96.8Very high97.1Very high47 Ų4776.9 Ų76.929%0.28535%0.35SS..Hα-helixtrans-68.8-45.5176.4170.90000110.3Q155 S156 Q157 K162 W163Q155-V159 HydrophobicContact CB-CB 4.3Å; Q155-V159 HydrophobicContact CB-CG1 4.11Å; Q155-V159 HydrophobicContact CG-CG1 4.42Å; S156-V159 PolarHBondContact O-N 3.36Å; S156-V159 WeakPolarHBondContact OG-CG2 3.28Å; S156-V159 PolarHBondContact OG-N 2.81Å; Q157-V159 VanDerWaalsContact C-N 3.32Å; Q157-V159 PolarHBondContact O-N 2.67Å; V159-K162 PolarHBondContact O-N 3.04Å; V159-W163 HydrophobicContact CG1-CD2 4Å; V159-W163 HydrophobicContact CG1-CE3 4.34Å; V159-W163 HydrophobicContact CG1-CH2 3.59Å; V159-W163 HydrophobicContact CG1-CZ2 3.14Å; V159-W163 HydrophobicContact CG1-CZ3 4.18Å; V159-W163 PolarHBondContact O-N 2.56Å; V159-W163 VanDerWaalsContact O-N 3.11Å
160I97.6Very high97.1Very high2 Ų276.7 Ų76.71%0.0135%0.35CS..Hα-helixtrans-61.2-46.7177.5-63.9-53.9000111.1N146 E150 Q155 S156 Q157 K162 W163 M164N146-I160 HydrophobicContact CB-CG2 3.85Å; E150-I160 HydrophobicContact CB-CG1 4.47Å; Q155-I160 HydrophobicContact CB-CD1 3.8Å; Q155-I160 HydrophobicContact CB-CG1 4.1Å; Q155-I160 HydrophobicContact CG-CD1 4.38Å; S156-I160 PolarHBondContact O-N 3.04Å; Q157-I160 PolarHBondContact O-N 2.92Å; I160-K162 VanDerWaalsContact C-N 3.28Å; I160-K162 PolarHBondContact O-N 3.45Å; I160-W163 HydrophobicContact CD1-CE3 3.76Å; I160-W163 HydrophobicContact CD1-CZ3 3.73Å; I160-W163 PolarHBondContact O-N 3.4Å; I160-M164 HydrophobicContact CG2-CG 3.97Å; I160-M164 WeakPolarHBondContact O-CB 3.24Å; I160-M164 WeakPolarHBondContact O-CG 2.91Å; I160-M164 PolarHBondContact O-N 3.32Å
161E96.1Very high97.1Very high107 Ų10776.9 Ų76.950%0.536%0.356SS..Hα-helixtrans-58.5-40.6178.1-76.8179.5168.300112Q157 M164 D165Q157-E161 WeakPolarHBondContact O-CB 3.4Å; Q157-E161 VanDerWaalsContact O-CG 3.3Å; Q157-E161 WeakPolarHBondContact O-CG 3.33Å; Q157-E161 PolarHBondContact O-N 3.48Å; E161-M164 PolarHBondContact O-N 2.88Å; E161-D165 PolarHBondContact O-N 3.31Å; E161-D165 VanDerWaalsContact O-N 3.07Å
162K96.1Very high97.1Very high172 Ų17269.9 Ų69.975%0.74833%0.33SS*.Hα-helixtrans-64.7-42.6176.8-174.4179.3178.7-177.90112.5E158 V159 I160 M164E158-K162 WeakPolarHBondContact O-CB 3.43Å; E158-K162 PolarHBondContact O-N 3.07Å; E158-K162 VanDerWaalsContact O-N 3.16Å; V159-K162 PolarHBondContact O-N 3.04Å; I160-K162 VanDerWaalsContact C-N 3.28Å; I160-K162 PolarHBondContact O-N 3.45Å; K162-M164 VanDerWaalsContact C-N 3.34Å
163W94.2Very high97.1Very high23 Ų2374 Ų749%0.08735%0.349CS..Hα-helixtrans-68.5-35.9177.1-62.6-19.9000112.4V117 Q155 V159 I160 Y168 M170 Y178V117-W163 HydrophobicContact CG2-CB 3.94Å; Q155-W163 HydrophobicContact CB-CH2 4.35Å; Q155-W163 HydrophobicContact CB-CZ3 4.45Å; Q155-W163 HydrophobicContact CG-CH2 3.55Å; Q155-W163 HydrophobicContact CG-CZ3 3.85Å; V159-W163 HydrophobicContact CG1-CD2 4Å; V159-W163 HydrophobicContact CG1-CE3 4.34Å; V159-W163 HydrophobicContact CG1-CH2 3.59Å; V159-W163 HydrophobicContact CG1-CZ2 3.14Å; V159-W163 HydrophobicContact CG1-CZ3 4.18Å; V159-W163 PolarHBondContact O-N 2.56Å; V159-W163 VanDerWaalsContact O-N 3.11Å; I160-W163 HydrophobicContact CD1-CE3 3.76Å; I160-W163 HydrophobicContact CD1-CZ3 3.73Å; I160-W163 PolarHBondContact O-N 3.4Å; W163-Y168 HydrophobicContact CB-CD1 3.96Å; W163-Y168 HydrophobicContact CB-CG 4.5Å; W163-Y168 AromaticContact CD1-CD1 3.84Å; W163-Y168 AromaticContact CD1-CE1 3.69Å; W163-Y168 HydrophobicContact CD2-CE1 4.49Å; W163-Y168 AromaticContact CG-CD1 3.88Å; W163-Y168 HydrophobicContact CG-CD1 3.88Å; W163-Y168 HydrophobicContact CG-CE1 4.06Å; W163-Y168 AromaticContact NE1-CE1 3.95Å; W163-Y168 WeakPolarHBondContact O-CB 3.38Å; W163-M170 HydrophobicContact CD2-CE 4.09Å; W163-M170 HydrophobicContact CE3-CE 3.94Å; W163-M170 HydrophobicContact CZ3-CE 4.32Å; W163-Y178 VanDerWaalsContact CH2-CB 3.43Å; W163-Y178 AromaticContact CH2-CD1 3.26Å; W163-Y178 HydrophobicContact CH2-CD1 3.26Å; W163-Y178 HydrophobicContact CH2-CD2 4.25Å; W163-Y178 HydrophobicContact CH2-CE1 4.01Å; W163-Y178 AromaticContact CH2-CG 3.38Å; W163-Y178 HydrophobicContact CH2-CG 3.38Å; W163-Y178 AromaticContact CZ2-CD1 3.07Å; W163-Y178 HydrophobicContact CZ2-CD1 3.07Å; W163-Y178 HydrophobicContact CZ2-CD2 4.17Å; W163-Y178 AromaticContact CZ2-CE1 3.31Å; W163-Y178 HydrophobicContact CZ2-CE1 3.31Å; W163-Y178 HydrophobicContact CZ2-CE2 4.34Å; W163-Y178 AromaticContact CZ2-CG 3.53Å; W163-Y178 HydrophobicContact CZ2-CG 3.53Å; W163-Y178 AromaticContact CZ2-CZ 3.93Å; W163-Y178 HydrophobicContact CZ3-CD1 4.42Å; W163-Y178 HydrophobicContact CZ3-CG 4.17Å
164M95Very high97.1Very high6 Ų677.1 Ų77.13%0.0336%0.363CS..Hα-helixtrans-81.6-16-175-65.5-72.9-76.600112.9V117 H118 Q119 I145 Y149 I160 E161 K162 R166V117-M164 HydrophobicContact CB-SD 3.75Å; V117-M164 HydrophobicContact CG2-SD 4.22Å; H118-M164 CarbonylContact C-O 3.59Å; H118-M164 WeakPolarHBondContact O-CE 3.26Å; Q119-M164 VanDerWaalsContact CB-O 3.24Å; Q119-M164 WeakPolarHBondContact CB-O 3.25Å; Q119-M164 WeakPolarHBondContact CG-O 3.15Å; Q119-M164 PolarHBondContact N-O 2.68Å; I145-M164 HydrophobicContact CG2-CE 3.39Å; Y149-M164 HydrophobicContact CD2-CE 4.08Å; Y149-M164 HydrophobicContact CD2-SD 4.13Å; Y149-M164 HydrophobicContact CE2-CE 3.85Å; Y149-M164 HydrophobicContact CE2-SD 3.89Å; I160-M164 HydrophobicContact CG2-CG 3.97Å; I160-M164 WeakPolarHBondContact O-CB 3.24Å; I160-M164 WeakPolarHBondContact O-CG 2.91Å; I160-M164 PolarHBondContact O-N 3.32Å; E161-M164 PolarHBondContact O-N 2.88Å; K162-M164 VanDerWaalsContact C-N 3.34Å; M164-R166 VanDerWaalsContact C-N 3.3Å; M164-R166 PolarHBondContact O-N 2.99Å
165D95Very high97.1Very high79 Ų7969.5 Ų69.542%0.42233%0.33SS..SBendtrans-62-35.9-177.3-177.647.8000112.9Q119 E161Q119-D165 PolarHBondContact NE2-O 3.02Å; E161-D165 PolarHBondContact O-N 3.31Å; E161-D165 VanDerWaalsContact O-N 3.07Å
166R96.5Very high97.2Very high164 Ų16469.2 Ų69.262%0.61933%0.332SS*.SBendtrans-134.4167.1175.8-65-65.8179.8-82.8-8.7109.6M164 Y168M164-R166 VanDerWaalsContact C-N 3.3Å; M164-R166 PolarHBondContact O-N 2.99Å; R166-Y168 PolarHBondContact O-N 3.33Å
167D98.1Very high97.2Very high98 Ų9870.7 Ų70.752%0.52434%0.342SS..  trans-55.4116.1172.8-70.2-2.5000109.5H118 F169H118-D167 WeakPolarHBondContact CB-OD1 3.13Å; H118-D167 IonicContact CG-OD1 3.47Å; H118-D167 IonicContact ND1-OD1 2.75Å; H118-D167 PolarHBondContact ND1-OD1 2.92Å; D167-F169 HydrophobicContact CB-CE2 4.04Å
168Y98Very high97.2Very high71 Ų7171 Ų7128%0.27834%0.342SS..EExtended strand (participates in β ladder)trans-121.1109.9-178.3-170.7-117.5000109.6M116 V117 W163 R166 M170 Y178M116-Y168 WeakPolarHBondContact CA-O 3.32Å; V117-Y168 HydrophobicContact CG2-CD1 4.28Å; V117-Y168 PolarHBondContact N-O 3.48Å; V117-Y168 PolarHBondContact O-N 3Å; W163-Y168 HydrophobicContact CB-CD1 3.96Å; W163-Y168 HydrophobicContact CB-CG 4.5Å; W163-Y168 AromaticContact CD1-CD1 3.84Å; W163-Y168 AromaticContact CD1-CE1 3.69Å; W163-Y168 HydrophobicContact CD2-CE1 4.49Å; W163-Y168 AromaticContact CG-CD1 3.88Å; W163-Y168 HydrophobicContact CG-CD1 3.88Å; W163-Y168 HydrophobicContact CG-CE1 4.06Å; W163-Y168 AromaticContact NE1-CE1 3.95Å; W163-Y168 WeakPolarHBondContact O-CB 3.38Å; R166-Y168 PolarHBondContact O-N 3.33Å; Y168-M170 HydrophobicContact CD1-CE 3.48Å; Y168-M170 VanDerWaalsContact CD1-CE 3.48Å; Y168-M170 HydrophobicContact CD1-CG 4.13Å; Y168-M170 HydrophobicContact CE1-CE 3.56Å; Y168-M170 HydrophobicContact CE1-CG 3.95Å; Y168-Y178 AromaticContact CE1-CE2 3.84Å; Y168-Y178 HydrophobicContact CE1-CE2 3.84Å; Y168-Y178 PolarHBondContact OH-OH 2.94Å
169F98.4Very high97.2Very high120 Ų12064.4 Ų64.453%0.52632%0.315SS..EExtended strand (participates in β ladder)trans-92.6141-179.9-68.6-95.1000110.6I115 M116 D167I115-F169 CarbonylContact O-C 3.57Å; I115-F169 WeakPolarHBondContact O-CA 3.15Å; M116-F169 HydrophobicContact CB-CD1 3.74Å; M116-F169 HydrophobicContact CB-CE1 3.78Å; M116-F169 HydrophobicContact CB-CG 4.29Å; M116-F169 HydrophobicContact CB-CZ 4.35Å; M116-F169 HydrophobicContact CG-CD1 3.95Å; M116-F169 HydrophobicContact CG-CD2 4.2Å; M116-F169 HydrophobicContact CG-CE1 3.77Å; M116-F169 HydrophobicContact CG-CE2 4.03Å; M116-F169 HydrophobicContact CG-CG 4.16Å; M116-F169 HydrophobicContact CG-CZ 3.82Å; D167-F169 HydrophobicContact CB-CE2 4.04Å
170M98.3Very high97.3Very high4 Ų462.2 Ų62.22%0.0230%0.301CS..EExtended strand (participates in β ladder)trans-132.3138.6179.6-56.5171-174.500109I115 V117 W163 Y168 E174 Y178 I180I115-M170 HydrophobicContact CB-CB 4.27Å; I115-M170 HydrophobicContact CG2-SD 4.46Å; I115-M170 PolarHBondContact N-O 3.34Å; I115-M170 PolarHBondContact O-N 3.3Å; V117-M170 HydrophobicContact CG2-CE 4Å; W163-M170 HydrophobicContact CD2-CE 4.09Å; W163-M170 HydrophobicContact CE3-CE 3.94Å; W163-M170 HydrophobicContact CZ3-CE 4.32Å; Y168-M170 HydrophobicContact CD1-CE 3.48Å; Y168-M170 VanDerWaalsContact CD1-CE 3.48Å; Y168-M170 HydrophobicContact CD1-CG 4.13Å; Y168-M170 HydrophobicContact CE1-CE 3.56Å; Y168-M170 HydrophobicContact CE1-CG 3.95Å; M170-E174 HydrophobicContact CB-CB 3.99Å; M170-Y178 HydrophobicContact CE-CD2 3.62Å; M170-Y178 HydrophobicContact CE-CE2 4.08Å; M170-Y178 HydrophobicContact CE-CG 4.36Å; M170-Y178 HydrophobicContact CG-CD2 4.1Å; M170-Y178 HydrophobicContact CG-CE2 4.19Å; M170-Y178 HydrophobicContact SD-CD2 3.53Å; M170-Y178 VanDerWaalsContact SD-CD2 3.53Å; M170-Y178 HydrophobicContact SD-CE2 4.18Å; M170-Y178 HydrophobicContact SD-CG 4.47Å; M170-I180 HydrophobicContact CE-CD1 3.79Å; M170-I180 HydrophobicContact SD-CD1 3.48Å; M170-I180 WeakPolarHBondContact SD-CD1 3.43Å
171T98.5Very high97.4Very high75 Ų7562.2 Ų62.246%0.4630%0.301SS..EExtended strand (participates in β ladder)trans-67.4166.9161.660.50000110.8E173 E174 A175T171-E173 VanDerWaalsContact C-N 3.26Å; T171-E173 PolarHBondContact O-N 3.45Å; T171-E174 WeakPolarHBondContact CB-OE2 3.32Å; T171-E174 WeakPolarHBondContact CG2-OE2 3.4Å; T171-E174 PolarHBondContact N-OE2 3.34Å; T171-E174 PolarHBondContact O-N 3.45Å; T171-E174 VanDerWaalsContact OG1-CG 3.31Å; T171-E174 WeakPolarHBondContact OG1-CG 3.49Å; T171-E174 PolarHBondContact OG1-N 3.37Å; T171-E174 PolarHBondContact OG1-OE2 3.31Å; T171-A175 WeakPolarHBondContact O-CB 3.49Å; T171-A175 PolarHBondContact O-N 3.03Å
172A98.5Very high97.5Very high2 Ų258.7 Ų58.72%0.01729%0.286CS..Hα-helixtrans-57-38.8174.900000112.8A109 L110 S113 A175 V176 V184A109-A172 HydrophobicContact CB-CB 3.87Å; L110-A172 VanDerWaalsContact O-CB 3.31Å; L110-A172 WeakPolarHBondContact O-CB 3.14Å; S113-A172 PolarHBondContact O-N 2.96Å; A172-A175 PolarHBondContact O-N 3.3Å; A172-V176 WeakPolarHBondContact O-CG2 3.15Å; A172-V176 PolarHBondContact O-N 2.86Å; A172-V176 VanDerWaalsContact O-N 3.13Å; A172-V184 HydrophobicContact CB-CG1 4.22Å; A172-V184 HydrophobicContact CB-CG2 3.76Å
173E98.3Very high97.6Very high112 Ų11257.8 Ų57.852%0.52328%0.278SS..Hα-helixtrans-70.9-40.7178.6-64-62.7167.500112.3T171 A175 V176 S177 V184T171-E173 VanDerWaalsContact C-N 3.26Å; T171-E173 PolarHBondContact O-N 3.45Å; E173-A175 VanDerWaalsContact C-N 3.31Å; E173-A175 PolarHBondContact O-N 3.32Å; E173-V176 WeakPolarHBondContact O-CB 3.49Å; E173-V176 PolarHBondContact O-N 2.86Å; E173-S177 PolarHBondContact O-N 3.16Å; E173-V184 HydrophobicContact CG-CG2 4.39Å
174E98.1Very high97.7Very high74 Ų7457.5 Ų57.535%0.34628%0.279SS..Hα-helixtrans-64-38.3172.7-71.7165140.100111.2M170 T171 V176 S177 Y178M170-E174 HydrophobicContact CB-CB 3.99Å; T171-E174 WeakPolarHBondContact CB-OE2 3.32Å; T171-E174 WeakPolarHBondContact CG2-OE2 3.4Å; T171-E174 PolarHBondContact N-OE2 3.34Å; T171-E174 PolarHBondContact O-N 3.45Å; T171-E174 VanDerWaalsContact OG1-CG 3.31Å; T171-E174 WeakPolarHBondContact OG1-CG 3.49Å; T171-E174 PolarHBondContact OG1-N 3.37Å; T171-E174 PolarHBondContact OG1-OE2 3.31Å; E174-V176 PolarHBondContact O-N 3.33Å; E174-S177 PolarHBondContact O-N 3.17Å; E174-S177 PolarHBondContact O-OG 3.35Å; E174-Y178 HydrophobicContact CB-CD2 4.33Å; E174-Y178 HydrophobicContact CB-CE2 4.2Å; E174-Y178 WeakPolarHBondContact O-CB 3.31Å; E174-Y178 WeakPolarHBondContact O-CD2 3.46Å; E174-Y178 PolarHBondContact O-N 3.44Å
175A98.4Very high97.8Very high0 Ų058.3 Ų58.30%028%0.283CS..Hα-helixtrans-64.3-29.7175.700000112.6I115 T171 A172 E173 G179 I180 V181I115-A175 HydrophobicContact CB-CB 4.22Å; I115-A175 HydrophobicContact CD1-CB 3.73Å; I115-A175 HydrophobicContact CG1-CB 3.86Å; T171-A175 WeakPolarHBondContact O-CB 3.49Å; T171-A175 PolarHBondContact O-N 3.03Å; A172-A175 PolarHBondContact O-N 3.3Å; E173-A175 VanDerWaalsContact C-N 3.31Å; E173-A175 PolarHBondContact O-N 3.32Å; A175-G179 PolarHBondContact O-N 2.75Å; A175-I180 HydrophobicContact CB-CB 4.31Å; A175-I180 PolarHBondContact O-N 3.08Å; A175-V181 HydrophobicContact CB-CG2 3.81Å; A175-V181 PolarHBondContact O-N 3.45Å
176V98.4Very high97.8Very high46 Ų4661.2 Ų61.228%0.27929%0.293SS..Hα-helixtrans-69.3-49.7169.71730000110.8A172 E173 E174 Y178 G179 V181 V184A172-V176 WeakPolarHBondContact O-CG2 3.15Å; A172-V176 PolarHBondContact O-N 2.86Å; A172-V176 VanDerWaalsContact O-N 3.13Å; E173-V176 WeakPolarHBondContact O-CB 3.49Å; E173-V176 PolarHBondContact O-N 2.86Å; E174-V176 PolarHBondContact O-N 3.33Å; V176-Y178 PolarHBondContact O-N 2.81Å; V176-G179 PolarHBondContact O-N 2.82Å; V176-V181 WeakPolarHBondContact CA-O 3.39Å; V176-V181 HydrophobicContact CB-CG2 4.47Å; V176-V181 HydrophobicContact CG2-CG2 3.65Å; V176-V184 HydrophobicContact CG2-CG2 3.79Å
177S97.3Very high97.4Very high82 Ų8262 Ų6257%0.57330%0.302SS*.Hα-helixtrans-61.3-31.2-177.972.20000112.4E173 E174E173-S177 PolarHBondContact O-N 3.16Å; E174-S177 PolarHBondContact O-N 3.17Å; E174-S177 PolarHBondContact O-OG 3.35Å
178Y96.2Very high96.4Very high55 Ų5563.5 Ų63.522%0.21631%0.314CS..THydrogen-bonded Turntrans-84.9-10.1175.4-66.5-39.4000114.7T153 Q155 W163 Y168 M170 E174 V176T153-Y178 WeakPolarHBondContact CB-O 3.43Å; Q155-Y178 PolarHBondContact NE2-O 3.21Å; Q155-Y178 VanDerWaalsContact NE2-O 3.07Å; W163-Y178 VanDerWaalsContact CH2-CB 3.43Å; W163-Y178 AromaticContact CH2-CD1 3.26Å; W163-Y178 HydrophobicContact CH2-CD1 3.26Å; W163-Y178 HydrophobicContact CH2-CD2 4.25Å; W163-Y178 HydrophobicContact CH2-CE1 4.01Å; W163-Y178 AromaticContact CH2-CG 3.38Å; W163-Y178 HydrophobicContact CH2-CG 3.38Å; W163-Y178 AromaticContact CZ2-CD1 3.07Å; W163-Y178 HydrophobicContact CZ2-CD1 3.07Å; W163-Y178 HydrophobicContact CZ2-CD2 4.17Å; W163-Y178 AromaticContact CZ2-CE1 3.31Å; W163-Y178 HydrophobicContact CZ2-CE1 3.31Å; W163-Y178 HydrophobicContact CZ2-CE2 4.34Å; W163-Y178 AromaticContact CZ2-CG 3.53Å; W163-Y178 HydrophobicContact CZ2-CG 3.53Å; W163-Y178 AromaticContact CZ2-CZ 3.93Å; W163-Y178 HydrophobicContact CZ3-CD1 4.42Å; W163-Y178 HydrophobicContact CZ3-CG 4.17Å; Y168-Y178 AromaticContact CE1-CE2 3.84Å; Y168-Y178 HydrophobicContact CE1-CE2 3.84Å; Y168-Y178 PolarHBondContact OH-OH 2.94Å; M170-Y178 HydrophobicContact CE-CD2 3.62Å; M170-Y178 HydrophobicContact CE-CE2 4.08Å; M170-Y178 HydrophobicContact CE-CG 4.36Å; M170-Y178 HydrophobicContact CG-CD2 4.1Å; M170-Y178 HydrophobicContact CG-CE2 4.19Å; M170-Y178 HydrophobicContact SD-CD2 3.53Å; M170-Y178 VanDerWaalsContact SD-CD2 3.53Å; M170-Y178 HydrophobicContact SD-CE2 4.18Å; M170-Y178 HydrophobicContact SD-CG 4.47Å; E174-Y178 HydrophobicContact CB-CD2 4.33Å; E174-Y178 HydrophobicContact CB-CE2 4.2Å; E174-Y178 WeakPolarHBondContact O-CB 3.31Å; E174-Y178 WeakPolarHBondContact O-CD2 3.46Å; E174-Y178 PolarHBondContact O-N 3.44Å; V176-Y178 PolarHBondContact O-N 2.81Å
179G97.9Very high94.9Very high14 Ų1464.9 Ų64.914%0.14433%0.332CS..THydrogen-bonded Turntrans79.716.1176.600000114.8R107 T153 A175 V176R107-G179 VanDerWaalsContact CZ-O 3.28Å; R107-G179 PolarHBondContact NH1-O 3.47Å; R107-G179 PolarHBondContact NH2-O 2.82Å; T153-G179 WeakPolarHBondContact CA-O 3.33Å; A175-G179 PolarHBondContact O-N 2.75Å; V176-G179 PolarHBondContact O-N 2.82Å
180I98.4Very high92.8Very high1 Ų163.7 Ų63.71%0.00534%0.344CS..SBendtrans-68.7-43.8170.7-66.2-176.6000109.8L99 A100 R107 I115 V117 T153 M170 A175L99-I180 HydrophobicContact CD2-CG2 4.1Å; L99-I180 HydrophobicContact CG-CG2 4.42Å; A100-I180 WeakPolarHBondContact CA-O 3.37Å; A100-I180 HydrophobicContact CB-CG2 4.17Å; R107-I180 PolarHBondContact NH1-O 3.07Å; I115-I180 HydrophobicContact CG2-CD1 3.9Å; I115-I180 HydrophobicContact CG2-CG2 4.19Å; V117-I180 HydrophobicContact CG1-CD1 4Å; T153-I180 HydrophobicContact CG2-CG1 3.89Å; M170-I180 HydrophobicContact CE-CD1 3.79Å; M170-I180 HydrophobicContact SD-CD1 3.48Å; M170-I180 WeakPolarHBondContact SD-CD1 3.43Å; A175-I180 HydrophobicContact CB-CB 4.31Å; A175-I180 PolarHBondContact O-N 3.08Å
181V98.7Very high90.6Very high1 Ų171.9 Ų71.91%0.00638%0.383CS..SBendtrans-118.7160.5171.1-67.50000109.8L99 R107 A109 A175 V176L99-V181 HydrophobicContact CD1-CG1 3.83Å; L99-V181 HydrophobicContact CD2-CG1 3.6Å; L99-V181 HydrophobicContact CG-CG1 3.66Å; R107-V181 HydrophobicContact CB-CB 4.35Å; R107-V181 HydrophobicContact CB-CG1 4.37Å; A109-V181 HydrophobicContact CB-CG1 4.29Å; A109-V181 HydrophobicContact CB-CG2 4.15Å; A175-V181 HydrophobicContact CB-CG2 3.81Å; A175-V181 PolarHBondContact O-N 3.45Å; V176-V181 WeakPolarHBondContact CA-O 3.39Å; V176-V181 HydrophobicContact CB-CG2 4.47Å; V176-V181 HydrophobicContact CG2-CG2 3.65Å
182D98.5Very high87.7Confident33 Ų3377.8 Ų77.818%0.17640%0.402CS..SBendtrans-89.8-36.8179.1-56.7-59.7000111.5G105 C106 R107G105-D182 VanDerWaalsContact C-OD2 3.24Å; G105-D182 VanDerWaalsContact CA-CG 3.48Å; G105-D182 WeakPolarHBondContact CA-OD2 3.3Å; G105-D182 VanDerWaalsContact N-CG 3.33Å; G105-D182 PolarHBondContact N-OD1 3.26Å; G105-D182 PolarHBondContact N-OD2 3.31Å; C106-D182 PolarHBondContact N-OD2 3.49Å; R107-D182 VanDerWaalsContact CB-OD2 3.24Å; R107-D182 WeakPolarHBondContact CB-OD2 3.42Å; R107-D182 WeakPolarHBondContact CG-OD2 3.38Å; R107-D182 IonicContact CZ-OD1 3.22Å; R107-D182 IonicContact CZ-OD2 2.75Å; R107-D182 PolarHBondContact N-OD2 3.36Å; R107-D182 IonicContact NE-OD1 2.75Å; R107-D182 PolarHBondContact NE-OD1 3.04Å; R107-D182 IonicContact NE-OD2 3.96Å; R107-D182 PolarHBondContact NE-OD2 2.91Å; R107-D182 IonicContact NH2-OD1 2.76Å; R107-D182 PolarHBondContact NH2-OD1 3.11Å; R107-D182 IonicContact NH2-OD2 3.27Å; R107-D182 WeakPolarHBondContact O-CA 3.28Å; R107-D182 WeakPolarHBondContact O-CB 3.49Å; R107-D182 PolarHBondContact O-N 3.44Å
183R97.9Very high85.1Confident153 Ų15383.2 Ų83.258%0.57744%0.435SS*.EExtended strand (participates in β ladder)trans-150.6148.5-176-64.7179.557.2-170.4-4.1113.7R107 F108 A109R107-R183 PolarHBondContact O-N 3.04Å; F108-R183 WeakPolarHBondContact CA-O 2.88Å; F108-R183 HydrophobicContact CD1-CB 4.1Å; F108-R183 HydrophobicContact CE1-CB 4.38Å; A109-R183 PolarHBondContact N-O 3.36Å; A109-R183 VanDerWaalsContact N-O 3.14Å
184V98.2Very high82.1Confident18 Ų1884.6 Ų84.611%0.10945%0.445CS..EExtended strand (participates in β ladder)trans-85131.4163-173.70000109.9A109 P111 A172 E173 V176A109-V184 CarbonylContact O-C 3.54Å; A109-V184 VanDerWaalsContact O-CA 3.29Å; A109-V184 WeakPolarHBondContact O-CA 3.41Å; P111-V184 HydrophobicContact CB-CG1 4.2Å; P111-V184 HydrophobicContact CG-CG1 4.03Å; A172-V184 HydrophobicContact CB-CG1 4.22Å; A172-V184 HydrophobicContact CB-CG2 3.76Å; E173-V184 HydrophobicContact CG-CG2 4.39Å; V176-V184 HydrophobicContact CG2-CG2 3.79Å
185L96.8Very high79.3Confident22 Ų2289.6 Ų89.612%0.11547%0.469CS..  trans-108.7114.4178.8-62.5-178.1000110.8F86 F108 A109 L110 P111F86-L185 HydrophobicContact CD1-CD1 4.07Å; F86-L185 HydrophobicContact CE1-CD1 3.78Å; F108-L185 HydrophobicContact CB-CD1 3.68Å; F108-L185 HydrophobicContact CB-CG 4Å; F108-L185 HydrophobicContact CD1-CD1 3.79Å; F108-L185 HydrophobicContact CD1-CD2 4.04Å; F108-L185 HydrophobicContact CD1-CG 3.87Å; F108-L185 HydrophobicContact CD2-CD1 4.23Å; F108-L185 HydrophobicContact CE1-CD1 4.49Å; F108-L185 HydrophobicContact CE1-CD2 4.44Å; F108-L185 HydrophobicContact CG-CD1 3.62Å; F108-L185 HydrophobicContact CG-CG 4.1Å; A109-L185 PolarHBondContact O-N 3.07Å; L110-L185 HydrophobicContact CD2-CB 4.24Å; L110-L185 WeakPolarHBondContact CD2-O 3.41Å; P111-L185 WeakPolarHBondContact CD-O 3.33Å
186H94.3Very high76.5Confident140 Ų14098 Ų9865%0.64851%0.508SS*.SBendtrans-87.5-27.2177.2-67.8-93.9000113.7P111P111-H186 HydrophobicContact CG-CB 4.46Å; P111-H186 WeakPolarHBondContact CG-ND1 3.33Å
187K88.2Confident73.9Confident182 Ų182102.3 Ų102.379%0.79153%0.534SS*.SBendtrans-145.5155178-68.3-173.2178.7-179.20108.5
188T76Confident71.3Confident128 Ų128104.5 Ų104.579%0.78554%0.539SS*.PPolyproline II helixtrans-55.9133.2165.1-45.90000108.3A190T188-A190 PolarHBondContact O-N 3.34Å; T188-A190 VanDerWaalsContact O-N 3.15Å
189P66.9Low68.5Low100 Ų100107.3 Ų107.365%0.64957%0.567SS**PPolyproline II helixtrans-52125.1171.7-23.533000108.7E191P189-E191 PolarHBondContact O-N 3.22Å
190A54.9Low65.8Low95 Ų95115 Ų11579%0.78560%0.596SS**PPolyproline II helixtrans-59.9129.2176.500000108.2T188 K192T188-A190 PolarHBondContact O-N 3.34Å; T188-A190 VanDerWaalsContact O-N 3.15Å; A190-K192 PolarHBondContact O-N 3.45Å
191E52.4Low63Low177 Ų177120.1 Ų120.183%0.82763%0.632SS**PPolyproline II helixtrans-55.1140158.1-71.6-177.3162.300106.8P189 V193P189-E191 PolarHBondContact O-N 3.22Å; E191-V193 PolarHBondContact O-N 3.38Å
192K38.1Very low60.7Low199 Ų199125.8 Ų125.887%0.86567%0.669SS**  trans-59.597.9167.9-77.2-175.1177.6-177.90106.1A190 D194A190-K192 PolarHBondContact O-N 3.45Å; K192-D194 PolarHBondContact O-N 3.06Å
193V42.1Very low58.5Low116 Ų116136.8 Ų136.870%0.70372%0.719SS**  trans-66.4105.6168.1-177.90000104E191 E195E191-V193 PolarHBondContact O-N 3.38Å; V193-E195 PolarHBondContact O-N 2.95Å
194D37.3Very low56.5Low140 Ų140136 Ų13675%0.74973%0.726SS**  trans-57.3109.6166.7-84.5-32.3000106.3K192 H196K192-D194 PolarHBondContact O-N 3.06Å; D194-H196 PolarHBondContact O-N 3.14Å
195E38.1Very low54.4Low180 Ų180142.2 Ų142.284%0.84176%0.758SS**  trans-67.177.6172-71.5-175.8167.900108.3V193V193-E195 PolarHBondContact O-N 2.95Å
196H40.7Very low52Low177 Ų177148.9 Ų148.982%0.81979%0.794SS**  trans-113.955.4154.5-8340.3000107.5D194 D198D194-H196 PolarHBondContact O-N 3.14Å; H196-D198 PolarHBondContact O-N 2.95Å
197V43.5Very low49.5Very low135 Ų135149.4 Ų149.482%0.81880%0.803SS**  trans-83.197.7158.4-179.40000105.8S199V197-S199 PolarHBondContact O-N 3.45Å
198D42.4Very low47.1Very low129 Ų129147.4 Ų147.469%0.6980%0.803SS**  trans-30.6116.3171.2-90.7-37.3000112.3H196 K200H196-D198 PolarHBondContact O-N 2.95Å; D198-K200 PolarHBondContact O-N 2.99Å
199S37.4Very low45.2Very low114 Ų114148.7 Ų148.780%0.79780%0.804SS**  trans-66.275.9157.659.70000109V197V197-S199 PolarHBondContact O-N 3.45Å
200K41.5Very low43.6Very low175 Ų175152.1 Ų152.176%0.76182%0.816SS**  trans-96.288.6158.6-79.9-173.8-179.91740108.2D198 P202D198-K200 PolarHBondContact O-N 2.99Å; K200-P202 WeakPolarHBondContact O-CD 3.49Å
201S39.9Very low42.7Very low109 Ų109156.5 Ų156.576%0.76282%0.818SS**  trans-75.5127.4158.2-55.60000108.9
202P48.7Very low41.9Very low119 Ų119154.8 Ų154.877%0.77382%0.817SS**  trans-107.1106.2155.331.8-17.6000108.5K200K200-P202 WeakPolarHBondContact O-CD 3.49Å
203H53.5Low42.3Very low265 Ų265150.8 Ų150.8100%1.22781%0.813SS**  trans-125.90155.9-80.5-38000108.2

Retrieved 203 of 203 residues in 270.3 ms (Link to these results)

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