A0A3Q0KNH9_SCHMA Loading...

poly(ADP-ribose) glycohydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KNH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 527 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
1M32.4Very low52.5Low236 Ų236131.5 Ų131.5100%1.16369%0.688SS**  092.20-67.5-168.2-75.400106.4E3M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 2.72Å; M1-E3 VanDerWaalsContact O-N 3.09Å
2I32.1Very low56.3Low175 Ų175126.6 Ų126.690%0.89766%0.657SS**  trans-74.1101.6168.7-61.5172.1000102.6S4I2-S4 VanDerWaalsContact C-N 3.29Å; I2-S4 PolarHBondContact O-N 2.92Å
3E28.5Very low59.4Low174 Ų174119 Ų11981%0.81363%0.629SS**  trans-51.1106.3166-74.3178.3157.300105.1M1 S5M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 2.72Å; M1-E3 VanDerWaalsContact O-N 3.09Å; E3-S5 PolarHBondContact O-N 3.33Å
4S35.2Very low62.1Low97 Ų97112.6 Ų112.668%0.67860%0.595SS**  trans-49.9108157.654.60000103.1I2 K6I2-S4 VanDerWaalsContact C-N 3.29Å; I2-S4 PolarHBondContact O-N 2.92Å; S4-K6 PolarHBondContact O-N 2.84Å
5S34.9Very low64.2Low110 Ų110107.7 Ų107.777%0.76957%0.573SS**  trans-44.9102.3168.7270000104.3E3 C7E3-S5 PolarHBondContact O-N 3.33Å; S5-C7 PolarHBondContact O-N 2.9Å
6K39Very low66.1Low184 Ų184102.1 Ų102.180%0.854%0.543SS*.  trans-54105.1171.4-77.3-179.1177178.70101.4S4 V8S4-K6 PolarHBondContact O-N 2.84Å; K6-V8 WeakPolarHBondContact O-CG2 3.11Å; K6-V8 PolarHBondContact O-N 3.21Å
7C47.7Very low67.6Low79 Ų79104.2 Ų104.253%0.53455%0.548SS..  trans-57.8102.7177.1-152.60000102.2S5 H9S5-C7 PolarHBondContact O-N 2.9Å; C7-H9 VanDerWaalsContact C-N 3.27Å; C7-H9 PolarHBondContact O-N 3.25Å
8V57.1Low69Low113 Ų113104.3 Ų104.369%0.68555%0.546SS*.  trans-65.3102-172.1174.30000103.3K6 Y10K6-V8 WeakPolarHBondContact O-CG2 3.11Å; K6-V8 PolarHBondContact O-N 3.21Å; V8-Y10 PolarHBondContact O-N 2.99Å
9H81Confident70.2Confident145 Ų14599.5 Ų99.567%0.67152%0.521SS*.  trans-56.3108.7-174.8-71.2-78.1000107.3C7C7-H9 VanDerWaalsContact C-N 3.27Å; C7-H9 PolarHBondContact O-N 3.25Å
10Y93.3Very high71.2Confident55 Ų5595.4 Ų95.422%0.21650%0.499CS..  trans-102.498.2-178-168.7-87000107.7V8 N289 A290 T291 K477 C480 D481V8-Y10 PolarHBondContact O-N 2.99Å; Y10-N289 PolarHBondContact O-OD1 3.1Å; Y10-A290 HydrophobicContact CD1-CB 3.85Å; Y10-A290 HydrophobicContact CG-CB 4.49Å; Y10-A290 PolarHBondContact O-N 3.4Å; Y10-T291 PolarHBondContact N-OG1 3.08Å; Y10-T291 VanDerWaalsContact N-OG1 3.16Å; Y10-K477 HydrophobicContact CD1-CB 4.08Å; Y10-K477 HydrophobicContact CD1-CD 4.33Å; Y10-K477 HydrophobicContact CD1-CG 3.81Å; Y10-K477 HydrophobicContact CD2-CD 4.13Å; Y10-K477 HydrophobicContact CD2-CG 4.49Å; Y10-K477 HydrophobicContact CE1-CB 3.88Å; Y10-K477 HydrophobicContact CE1-CG 4.12Å; Y10-K477 HydrophobicContact CE2-CD 4.42Å; Y10-K477 HydrophobicContact CG-CD 4.08Å; Y10-K477 HydrophobicContact CG-CG 4.01Å; Y10-C480 HydrophobicContact CD1-CB 4.47Å; Y10-C480 HydrophobicContact CE1-CB 4.27Å; Y10-D481 PolarHBondContact OH-OD1 2.89Å; Y10-D481 PolarHBondContact OH-OD2 2.91Å
11F96.2Very high71.8Confident79 Ų7997.6 Ų97.635%0.34651%0.511SS..EExtended strand (participates in β ladder)trans-136.5160.5176.379.2-90.3000111.7H287 V288 N289F11-H287 AromaticContact CD2-CE1 3.5Å; F11-H287 AromaticContact CD2-ND1 3.65Å; F11-H287 AromaticContact CG-CE1 3.6Å; F11-V288 CarbonylContact C-O 3.46Å; F11-V288 WeakPolarHBondContact CA-O 3.19Å; F11-V288 WeakPolarHBondContact CB-O 3.42Å; F11-N289 HydrophobicContact CB-CB 4.11Å
12K97.8Very high73.9Confident72 Ų7289.7 Ų89.731%0.31348%0.479SS..EExtended strand (participates in β ladder)trans-128.6160.5173.4-59.4-65.8-173.2-178.10109.9V288 D481 Y484K12-V288 PolarHBondContact N-O 3.27Å; K12-V288 PolarHBondContact O-N 3.01Å; K12-D481 WeakPolarHBondContact CE-OD1 3.37Å; K12-D481 IonicContact NZ-OD1 3.71Å; K12-Y484 HydrophobicContact CB-CD1 4.01Å; K12-Y484 HydrophobicContact CB-CD2 3.64Å; K12-Y484 HydrophobicContact CB-CE2 4.25Å; K12-Y484 HydrophobicContact CB-CG 3.5Å; K12-Y484 HydrophobicContact CD-CD1 4.4Å; K12-Y484 HydrophobicContact CG-CD1 4.28Å; K12-Y484 HydrophobicContact CG-CG 4.09Å
13G97.2Very high76.1Confident28 Ų2884.8 Ų84.829%0.28946%0.46SS..EExtended strand (participates in β ladder)trans79.3-149-177.900000112.7L286 Y484G13-L286 CarbonylContact C-O 3.48Å; G13-L286 WeakPolarHBondContact CA-O 3.45Å; G13-Y484 VanDerWaalsContact CA-CE2 3.49Å
14D96.6Very high78.3Confident29 Ų2978 Ų7816%0.15543%0.431CS..SBendtrans-70.7143.9-174.9-61.6-60.2000111.6L19 R285 L286 H287D14-L19 HydrophobicContact CB-CD1 4.19Å; D14-L19 HydrophobicContact CB-CD2 3.86Å; D14-L19 HydrophobicContact CB-CG 4.1Å; D14-R285 VanDerWaalsContact CG-NE 3.28Å; D14-R285 IonicContact OD1-CZ 2.96Å; D14-R285 IonicContact OD1-NE 2.77Å; D14-R285 PolarHBondContact OD1-NE 2.97Å; D14-R285 IonicContact OD1-NH2 3.19Å; D14-R285 PolarHBondContact OD1-NH2 3.42Å; D14-R285 IonicContact OD2-CZ 3.65Å; D14-R285 IonicContact OD2-NE 3.17Å; D14-R285 PolarHBondContact OD2-NE 3.16Å; D14-R285 IonicContact OD2-NH2 2.78Å; D14-L286 PolarHBondContact N-O 2.76Å; D14-L286 PolarHBondContact OD2-N 3.34Å; D14-H287 PolarHBondContact O-ND1 2.84Å
15P94.8Very high80.5Confident40 Ų4078.5 Ų78.526%0.2643%0.434SS..  trans-59.1137.2166.9-21.333.4000110.9E17 E18P15-E17 PolarHBondContact O-N 3.15Å; P15-E18 HydrophobicContact CB-CG 4.17Å; P15-E18 HydrophobicContact CG-CG 4.32Å; P15-E18 PolarHBondContact O-N 3.4Å; P15-E18 VanDerWaalsContact O-N 3.15Å
16L93.3Very high82.9Confident18 Ų1874.1 Ų74.19%0.09440%0.401CS..Hα-helixtrans-65-32.2-174.1-175.758000112.3E18 L19 T20 A297 V436 A470 F472L16-E18 VanDerWaalsContact C-N 3.26Å; L16-E18 PolarHBondContact O-N 2.87Å; L16-L19 PolarHBondContact O-N 3.06Å; L16-T20 HydrophobicContact CD1-CG2 4.36Å; L16-T20 WeakPolarHBondContact O-CG2 3.28Å; L16-T20 PolarHBondContact O-N 2.81Å; L16-T20 PolarHBondContact O-OG1 2.75Å; L16-T20 VanDerWaalsContact O-OG1 3.06Å; L16-A297 HydrophobicContact CD2-CB 4.3Å; L16-V436 HydrophobicContact CD1-CG1 4.21Å; L16-A470 HydrophobicContact CD1-CB 3.71Å; L16-F472 HydrophobicContact CD2-CZ 4.37Å
17E91.5Very high85.3Confident137 Ų13767.7 Ų67.764%0.6438%0.378SS*.Hα-helixtrans-63.2-32.4178-59.478.7-173.400111.9P15 T20 L21P15-E17 PolarHBondContact O-N 3.15Å; E17-T20 PolarHBondContact O-OG1 3.33Å; E17-L21 WeakPolarHBondContact O-CD2 3.47Å; E17-L21 WeakPolarHBondContact O-CG 3.29Å
18E93.1Very high87.4Confident107 Ų10768.7 Ų68.750%0.538%0.384SS..Hα-helixtrans-71.3-33.4177.6-68.3-175.9-170.100112.2P15 L16 T20P15-E18 HydrophobicContact CB-CG 4.17Å; P15-E18 HydrophobicContact CG-CG 4.32Å; P15-E18 PolarHBondContact O-N 3.4Å; P15-E18 VanDerWaalsContact O-N 3.15Å; L16-E18 VanDerWaalsContact C-N 3.26Å; L16-E18 PolarHBondContact O-N 2.87Å; E18-T20 VanDerWaalsContact C-N 3.34Å
19L93Very high89.2Confident13 Ų1364.2 Ų64.27%0.06836%0.356CS..Hα-helixtrans-75.9-25.3-179.4-55.6-178.1000112.3D14 L16 R285 H287 V436D14-L19 HydrophobicContact CB-CD1 4.19Å; D14-L19 HydrophobicContact CB-CD2 3.86Å; D14-L19 HydrophobicContact CB-CG 4.1Å; L16-L19 PolarHBondContact O-N 3.06Å; L19-R285 HydrophobicContact CD2-CB 3.68Å; L19-R285 HydrophobicContact CD2-CG 4.37Å; L19-H287 HydrophobicContact CD1-CB 3.87Å; L19-V436 HydrophobicContact CB-CG2 3.57Å; L19-V436 WeakPolarHBondContact O-CG2 3.35Å
20T89.1Confident89.9Confident16 Ų1663.8 Ų63.810%0.09835%0.354CS..THydrogen-bonded Turntrans-97.46-172.352.90000114.2L16 E17 E18 S22 P299 N300 T301 V436L16-T20 HydrophobicContact CD1-CG2 4.36Å; L16-T20 WeakPolarHBondContact O-CG2 3.28Å; L16-T20 PolarHBondContact O-N 2.81Å; L16-T20 PolarHBondContact O-OG1 2.75Å; L16-T20 VanDerWaalsContact O-OG1 3.06Å; E17-T20 PolarHBondContact O-OG1 3.33Å; E18-T20 VanDerWaalsContact C-N 3.34Å; T20-S22 VanDerWaalsContact C-N 3.31Å; T20-S22 PolarHBondContact O-N 3.26Å; T20-P299 WeakPolarHBondContact CB-O 3.48Å; T20-P299 WeakPolarHBondContact CG2-O 3.14Å; T20-N300 WeakPolarHBondContact O-CB 3.32Å; T20-N300 PolarHBondContact O-ND2 2.96Å; T20-T301 HydrophobicContact CG2-CG2 3.71Å; T20-V436 HydrophobicContact CG2-CB 4.47Å; T20-V436 HydrophobicContact CG2-CG2 3.9Å
21L83.6Confident90Very high143 Ų14364.9 Ų64.975%0.74937%0.369SS*.  trans-65.2-27.4-174.7-66.9176.8000114.8E17E17-L21 WeakPolarHBondContact O-CD2 3.47Å; E17-L21 WeakPolarHBondContact O-CG 3.29Å
22S77.9Confident89.9Confident70 Ų7063.8 Ų63.849%0.4937%0.371SS..  trans-100.2133.1-174.872.60000112.2T20 N300T20-S22 VanDerWaalsContact C-N 3.31Å; T20-S22 PolarHBondContact O-N 3.26Å; S22-N300 VanDerWaalsContact O-CG 3.29Å
23S76.6Confident89.7Confident71 Ų7171.3 Ų71.350%0.49740%0.397SS..  trans-106.7135.9172.3-169.10000109.8N300S23-N300 WeakPolarHBondContact CA-OD1 3.27Å; S23-N300 VanDerWaalsContact CB-OD1 3.27Å; S23-N300 WeakPolarHBondContact CB-OD1 3.32Å; S23-N300 PolarHBondContact OG-OD1 2.97Å
24P75.1Confident89.5Confident32 Ų3273.3 Ų73.321%0.20840%0.404CS..PPolyproline II helixtrans-64.7142.2177.525.7-32.4000111.4L26 K432P24-L26 PolarHBondContact O-N 3.01Å; P24-K432 HydrophobicContact CB-CB 4.03Å
25C81Confident89.5Confident107 Ų10772.8 Ų72.872%0.72340%0.4SS*.PPolyproline II helixtrans-71.4128.5171.6-169.90000109.4
26L86.7Confident89.6Confident18 Ų1874.1 Ų74.19%0.09440%0.402CS..PPolyproline II helixtrans-103134.8177.5-67.5170.8000111.3P24 D383 R431P24-L26 PolarHBondContact O-N 3.01Å; L26-D383 HydrophobicContact CD1-CB 3.59Å; L26-D383 VanDerWaalsContact CD1-CG 3.49Å; L26-D383 WeakPolarHBondContact CD1-OD2 3.35Å; L26-R431 HydrophobicContact CD2-CG 4.18Å
27P89.7Confident89.9Confident49 Ų4973.3 Ų73.332%0.31840%0.398SS..PPolyproline II helixtrans-67.8166.4170.129.9-33.5000110.7L29 W385 E430P27-L29 PolarHBondContact O-N 3.43Å; P27-W385 HydrophobicContact CG-CZ2 4.25Å; P27-W385 PolarHBondContact O-NE1 3.23Å; P27-E430 WeakPolarHBondContact CD-O 3.5Å
28P91.7Very high90.2Very high100 Ų10066.9 Ų66.965%0.64937%0.368SS*.PPolyproline II helixtrans-55.4138.9169.9-23.334.3000111.1Q30P28-Q30 HydrophobicContact CB-CG 4.45Å; P28-Q30 PolarHBondContact O-N 3.21Å
29L94.9Very high90.5Very high19 Ų1962.3 Ų62.310%0.09935%0.346CS..PPolyproline II helixtrans-67.2116.6175.1-179.260.8000108.9P27 V37 F39 C41 T178 W385P27-L29 PolarHBondContact O-N 3.43Å; L29-V37 HydrophobicContact CD1-CG2 3.75Å; L29-V37 HydrophobicContact CD2-CG1 3.97Å; L29-V37 HydrophobicContact CG-CG1 4.35Å; L29-V37 HydrophobicContact CG-CG2 4.07Å; L29-F39 HydrophobicContact CD2-CE2 3.82Å; L29-F39 HydrophobicContact CD2-CZ 3.81Å; L29-C41 WeakPolarHBondContact O-CB 3.31Å; L29-C41 PolarHBondContact O-SG 3.4Å; L29-T178 HydrophobicContact CD1-CG2 4.48Å; L29-T178 HydrophobicContact CD2-CG2 4.35Å; L29-W385 HydrophobicContact CB-CD2 4.14Å; L29-W385 HydrophobicContact CB-CG 4.01Å; L29-W385 HydrophobicContact CD1-CD2 3.85Å; L29-W385 HydrophobicContact CD1-CE3 3.88Å; L29-W385 HydrophobicContact CD1-CG 4.38Å; L29-W385 HydrophobicContact CD1-CH2 4.2Å; L29-W385 HydrophobicContact CD1-CZ2 4.19Å; L29-W385 HydrophobicContact CD1-CZ3 4.08Å; L29-W385 HydrophobicContact CD2-CG 4.5Å; L29-W385 HydrophobicContact CG-CD2 4.46Å
30Q94.2Very high90.7Very high136 Ų13666.1 Ų66.164%0.63636%0.36SS*.  trans-142.9138.3178-66.2-173.8-11.300110.3P28P28-Q30 HydrophobicContact CB-CG 4.45Å; P28-Q30 PolarHBondContact O-N 3.21Å
31P96.2Very high91Very high79 Ų7968 Ų6851%0.51337%0.373SS..  trans-68.3146.817430.4-34.6000110.7H35 V37P31-H35 CarbonylContact C-O 3.26Å; P31-H35 WeakPolarHBondContact CA-O 3.4Å; P31-V37 HydrophobicContact CB-CG2 4.35Å
32S94.8Very high91.4Very high56 Ų5667.6 Ų67.639%0.39237%0.372SS..  trans-140.7-175.2177.282.60000111.5T34 H35 K36S32-T34 PolarHBondContact O-N 2.94Å; S32-T34 PolarHBondContact OG-N 3.44Å; S32-T34 PolarHBondContact OG-OG1 2.88Å; S32-H35 PolarHBondContact N-O 3.02Å; S32-H35 VanDerWaalsContact O-O 3.1Å; S32-H35 WeakPolarHBondContact OG-CB 3.32Å; S32-H35 PolarHBondContact OG-N 3.13Å; S32-K36 PolarHBondContact O-NZ 3.4Å
33R92.8Very high92Very high229 Ų22965.5 Ų65.586%0.86436%0.357SS*.SBendtrans-57.9-39.4173-176.6176.2172.1165.9-2.4111.5K36R33-K36 WeakPolarHBondContact O-CE 3.4Å; R33-K36 PolarHBondContact O-NZ 2.89Å
34T92.6Very high92.5Very high70 Ų7066.1 Ų66.143%0.42936%0.355SS..SBendtrans-1061.9-175.852.20000113.6S32 C175 S176S32-T34 PolarHBondContact O-N 2.94Å; S32-T34 PolarHBondContact OG-N 3.44Å; S32-T34 PolarHBondContact OG-OG1 2.88Å; T34-C175 CarbonylContact O-C 3.15Å; T34-C175 VanDerWaalsContact O-CA 3.29Å; T34-C175 WeakPolarHBondContact O-CA 3.29Å; T34-S176 PolarHBondContact O-N 3.08Å
35H96.5Very high93.1Very high18 Ų1869.8 Ų69.88%0.08338%0.378CS..EExtended strand (participates in β ladder)trans-133.2115.2177.8-168.5176.6000110.9P31 S32 S176 T178 W385P31-H35 CarbonylContact C-O 3.26Å; P31-H35 WeakPolarHBondContact CA-O 3.4Å; S32-H35 PolarHBondContact N-O 3.02Å; S32-H35 VanDerWaalsContact O-O 3.1Å; S32-H35 WeakPolarHBondContact OG-CB 3.32Å; S32-H35 PolarHBondContact OG-N 3.13Å; H35-S176 CarbonylContact C-O 3.51Å; H35-S176 WeakPolarHBondContact CA-O 3.43Å; H35-S176 PolarHBondContact CD2-O 2.86Å; H35-T178 PolarHBondContact NE2-OG1 3.28Å; H35-W385 AromaticContact CE1-CH2 3.78Å; H35-W385 AromaticContact CE1-CZ3 3.75Å
36K98.2Very high93.6Very high68 Ų6870 Ų7030%0.29638%0.376SS..EExtended strand (participates in β ladder)trans-102123.7176.4-48.2-56.1170-162.10109.7S32 R33 F38 P167 S176 L177 T178S32-K36 PolarHBondContact O-NZ 3.4Å; R33-K36 WeakPolarHBondContact O-CE 3.4Å; R33-K36 PolarHBondContact O-NZ 2.89Å; K36-F38 HydrophobicContact CB-CE2 3.89Å; K36-F38 HydrophobicContact CB-CZ 4.4Å; K36-P167 HydrophobicContact CG-CG 4.41Å; K36-S176 PolarHBondContact N-O 3.01Å; K36-L177 HydrophobicContact CB-CD2 3.78Å; K36-L177 HydrophobicContact CG-CD2 3.89Å; K36-L177 CarbonylContact O-C 3.55Å; K36-L177 WeakPolarHBondContact O-CA 3.47Å; K36-T178 PolarHBondContact O-N 3.01Å
37V98.6Very high94Very high2 Ų275.5 Ų75.51%0.01240%0.399CS..EExtended strand (participates in β ladder)trans-106.3130.9172.6-170.30000108.5L29 P31 F39 K164L29-V37 HydrophobicContact CD1-CG2 3.75Å; L29-V37 HydrophobicContact CD2-CG1 3.97Å; L29-V37 HydrophobicContact CG-CG1 4.35Å; L29-V37 HydrophobicContact CG-CG2 4.07Å; P31-V37 HydrophobicContact CB-CG2 4.35Å; V37-F39 HydrophobicContact CG1-CD1 4.25Å; V37-F39 HydrophobicContact CG1-CD2 4.25Å; V37-F39 HydrophobicContact CG1-CE1 4.17Å; V37-F39 HydrophobicContact CG1-CE2 4.15Å; V37-F39 HydrophobicContact CG1-CG 4.3Å; V37-F39 HydrophobicContact CG1-CZ 4.11Å; V37-F39 WeakPolarHBondContact CG1-O 3.28Å; V37-K164 PolarHBondContact O-NZ 3.1Å
38F98.7Very high94.4Very high1 Ų175.1 Ų75.10%0.00440%0.397CS..SBendtrans-96.82.5-172.6-72.7-101.6000113.6K36 Y52 K164 I166 L177 T178 L179 Q183K36-F38 HydrophobicContact CB-CE2 3.89Å; K36-F38 HydrophobicContact CB-CZ 4.4Å; F38-Y52 PolarHBondContact O-N 3.27Å; F38-K164 HydrophobicContact CD1-CB 3.72Å; F38-K164 HydrophobicContact CD1-CD 4.25Å; F38-K164 HydrophobicContact CD1-CG 4.22Å; F38-K164 HydrophobicContact CE1-CB 3.93Å; F38-K164 HydrophobicContact CE1-CD 4.19Å; F38-K164 HydrophobicContact CE1-CG 4.04Å; F38-I166 HydrophobicContact CD1-CG1 4.35Å; F38-I166 HydrophobicContact CE1-CB 4.23Å; F38-I166 HydrophobicContact CE1-CG1 3.6Å; F38-I166 HydrophobicContact CZ-CB 4.37Å; F38-I166 HydrophobicContact CZ-CG1 4.11Å; F38-I166 HydrophobicContact CZ-CG2 4.41Å; F38-L177 HydrophobicContact CE2-CB 3.98Å; F38-L177 HydrophobicContact CE2-CD2 3.96Å; F38-L177 HydrophobicContact CE2-CG 4.39Å; F38-L177 HydrophobicContact CZ-CD2 4.3Å; F38-T178 WeakPolarHBondContact CD2-O 3.49Å; F38-T178 PolarHBondContact N-O 3.36Å; F38-L179 HydrophobicContact CD2-CD2 4.47Å; F38-L179 HydrophobicContact CD2-CG 4.03Å; F38-L179 HydrophobicContact CG-CD2 4.33Å; F38-L179 HydrophobicContact CG-CG 4.26Å; F38-Q183 PolarHBondContact O-NE2 3.23Å
39F98.7Very high94.7Very high12 Ų1271 Ų715%0.05337%0.37CS..BIsolated β-bridgetrans-138.4166.3178.158.2-96.7000110.2L29 V37 C41 P49 V50 T178L29-F39 HydrophobicContact CD2-CE2 3.82Å; L29-F39 HydrophobicContact CD2-CZ 3.81Å; V37-F39 HydrophobicContact CG1-CD1 4.25Å; V37-F39 HydrophobicContact CG1-CD2 4.25Å; V37-F39 HydrophobicContact CG1-CE1 4.17Å; V37-F39 HydrophobicContact CG1-CE2 4.15Å; V37-F39 HydrophobicContact CG1-CG 4.3Å; V37-F39 HydrophobicContact CG1-CZ 4.11Å; V37-F39 WeakPolarHBondContact CG1-O 3.28Å; F39-C41 PolarHBondContact O-N 3.44Å; F39-P49 HydrophobicContact CB-CB 3.7Å; F39-P49 HydrophobicContact CD1-CB 4.1Å; F39-P49 HydrophobicContact CD2-CB 3.43Å; F39-P49 VanDerWaalsContact CD2-CB 3.43Å; F39-P49 HydrophobicContact CD2-CG 4.28Å; F39-P49 HydrophobicContact CE2-CB 4.01Å; F39-P49 HydrophobicContact CE2-CG 4.39Å; F39-P49 HydrophobicContact CG-CB 3.48Å; F39-P49 VanDerWaalsContact CG-CB 3.48Å; F39-P49 HydrophobicContact CG-CG 4.42Å; F39-V50 CarbonylContact C-O 3.21Å; F39-V50 WeakPolarHBondContact CA-O 3.47Å; F39-V50 WeakPolarHBondContact CB-O 3.49Å; F39-T178 HydrophobicContact CE1-CG2 3.76Å; F39-T178 HydrophobicContact CZ-CG2 3.84Å
40R97.7Very high94.8Very high92 Ų9273.4 Ų73.435%0.34739%0.385SS..  trans-67.9123.2179.1-59.7-173.7172.6-162.7-1.6110.4D42 S43 V50 Y52 D54R40-D42 VanDerWaalsContact CB-OD1 3.26Å; R40-D42 WeakPolarHBondContact CB-OD1 3.32Å; R40-D42 PolarHBondContact O-N 3.45Å; R40-S43 VanDerWaalsContact O-CB 3.26Å; R40-S43 WeakPolarHBondContact O-CB 3.43Å; R40-S43 PolarHBondContact O-N 2.99Å; R40-S43 PolarHBondContact O-OG 3.42Å; R40-V50 HydrophobicContact CG-CB 4.27Å; R40-V50 HydrophobicContact CG-CG1 4.39Å; R40-V50 PolarHBondContact N-O 2.98Å; R40-Y52 HydrophobicContact CG-CD2 4.08Å; R40-Y52 HydrophobicContact CG-CG 4.28Å; R40-D54 IonicContact CZ-OD1 3.93Å; R40-D54 IonicContact CZ-OD2 3.76Å; R40-D54 IonicContact NE-OD1 3.38Å; R40-D54 PolarHBondContact NE-OD1 3.24Å; R40-D54 IonicContact NH2-OD1 3.54Å; R40-D54 PolarHBondContact NH2-OD1 3.14Å; R40-D54 IonicContact NH2-OD2 3.66Å; R40-D54 PolarHBondContact NH2-OD2 3.28Å
41C95.1Very high95Very high57 Ų5768.1 Ų68.139%0.38536%0.363SS..THydrogen-bonded Turntrans-67.2-17.3-175.1-61.90000113.6L29 F39L29-C41 WeakPolarHBondContact O-CB 3.31Å; L29-C41 PolarHBondContact O-SG 3.4Å; F39-C41 PolarHBondContact O-N 3.44Å
42D92.1Very high95.1Very high134 Ų13470 Ų7072%0.71736%0.361SS*.THydrogen-bonded Turntrans-94.112.2174.464.4-21.9000113.1R40R40-D42 VanDerWaalsContact CB-OD1 3.26Å; R40-D42 WeakPolarHBondContact CB-OD1 3.32Å; R40-D42 PolarHBondContact O-N 3.45Å
43S89.7Confident95.3Very high26 Ų2668.1 Ų68.118%0.18235%0.347CS..  trans-57.5143.8177.9-68.20000112R40 V50R40-S43 VanDerWaalsContact O-CB 3.26Å; R40-S43 WeakPolarHBondContact O-CB 3.43Å; R40-S43 PolarHBondContact O-N 2.99Å; R40-S43 PolarHBondContact O-OG 3.42Å; S43-V50 PolarHBondContact OG-N 3.18Å
44N88.5Confident95.4Very high84 Ų8461.6 Ų61.645%0.44933%0.33SS..  trans-64.4124.9176.8-177-36.3000110.8V46 K47N44-V46 PolarHBondContact O-N 3.38Å; N44-V46 WeakPolarHBondContact OD1-CG2 3.4Å; N44-V46 PolarHBondContact OD1-N 2.77Å; N44-K47 PolarHBondContact O-N 2.92Å; N44-K47 VanDerWaalsContact O-N 3.15Å; N44-K47 VanDerWaalsContact O-O 3.08Å
45P87.6Confident95.7Very high108 Ų10864.5 Ų64.570%0.70134%0.342SS*.THydrogen-bonded Turntrans-67.9-16.4-17427.9-36.5000114.8
46V90.9Very high95.8Very high112 Ų11266.8 Ų66.868%0.67935%0.351SS*.THydrogen-bonded Turntrans-92-1177.5-56.20000113.5N44N44-V46 PolarHBondContact O-N 3.38Å; N44-V46 WeakPolarHBondContact OD1-CG2 3.4Å; N44-V46 PolarHBondContact OD1-N 2.77Å
47K95.5Very high95.8Very high133 Ų13368.3 Ų68.358%0.57836%0.359SS*.SBendtrans-121.9157.9176.9-65.9-174.9-179.8-178.10110N44N44-K47 PolarHBondContact O-N 2.92Å; N44-K47 VanDerWaalsContact O-N 3.15Å; N44-K47 VanDerWaalsContact O-O 3.08Å
48P97.1Very high95.8Very high42 Ų4270.5 Ų70.527%0.27337%0.371SS..PPolyproline II helixtrans-53133.1169.9-26.636.4000110.8V50 L182 F255P48-V50 PolarHBondContact O-N 3.09Å; P48-L182 HydrophobicContact CB-CD2 3.9Å; P48-L182 HydrophobicContact CG-CD2 4.5Å; P48-F255 HydrophobicContact CG-CB 3.58Å; P48-F255 HydrophobicContact CG-CD2 4.44Å
49P97.9Very high95.7Very high12 Ų1275.5 Ų75.58%0.07839%0.392CS..PPolyproline II helixtrans-57137.6179.6-25.332.9000112.1F39 T257F39-P49 HydrophobicContact CB-CB 3.7Å; F39-P49 HydrophobicContact CD1-CB 4.1Å; F39-P49 HydrophobicContact CD2-CB 3.43Å; F39-P49 VanDerWaalsContact CD2-CB 3.43Å; F39-P49 HydrophobicContact CD2-CG 4.28Å; F39-P49 HydrophobicContact CE2-CB 4.01Å; F39-P49 HydrophobicContact CE2-CG 4.39Å; F39-P49 HydrophobicContact CG-CB 3.48Å; F39-P49 VanDerWaalsContact CG-CB 3.48Å; F39-P49 HydrophobicContact CG-CG 4.42Å; P49-T257 WeakPolarHBondContact CD-O 3.5Å
50V98.1Very high95.7Very high70 Ų7077.1 Ų77.142%0.42440%0.398SS..PPolyproline II helixtrans-77.6126-176.1-179.20000109.3F39 R40 S43 P48F39-V50 CarbonylContact C-O 3.21Å; F39-V50 WeakPolarHBondContact CA-O 3.47Å; F39-V50 WeakPolarHBondContact CB-O 3.49Å; R40-V50 HydrophobicContact CG-CB 4.27Å; R40-V50 HydrophobicContact CG-CG1 4.39Å; R40-V50 PolarHBondContact N-O 2.98Å; S43-V50 PolarHBondContact OG-N 3.18Å; P48-V50 PolarHBondContact O-N 3.09Å
51P98.6Very high95.6Very high26 Ų2675.7 Ų75.717%0.16940%0.397CS..BIsolated β-bridgetrans-51.8147.1177.5-28.336.7000113.1I160 F161 T163P51-I160 WeakPolarHBondContact CG-O 3.47Å; P51-F161 WeakPolarHBondContact CB-O 3.21Å; P51-F161 VanDerWaalsContact CG-O 3.3Å; P51-F161 WeakPolarHBondContact CG-O 3.31Å; P51-T163 HydrophobicContact CB-CG2 4.13Å
52Y98.3Very high95.4Very high118 Ų11875.3 Ų75.346%0.46340%0.403SS..SBendtrans-145.6131.3176-175.5-100.9000111F38 R40 K164F38-Y52 PolarHBondContact O-N 3.27Å; R40-Y52 HydrophobicContact CG-CD2 4.08Å; R40-Y52 HydrophobicContact CG-CG 4.28Å; Y52-K164 WeakPolarHBondContact O-CE 3.44Å
53P98.1Very high95.6Very high16 Ų1673.7 Ų73.710%0.10439%0.394CS..SBendcis-65.6168.83.930.5-34.6000113.2D55 Q57 T163P53-D55 VanDerWaalsContact C-N 3.33Å; P53-Q57 HydrophobicContact CG-CG 4.14Å; P53-T163 WeakPolarHBondContact O-CB 3.35Å; P53-T163 PolarHBondContact O-OG1 2.72Å
54D96Very high96Very high93 Ų9375 Ų7550%0.49740%0.396SS..SBendtrans-68.9-36.2-177.3-63-20.1000111.7R40R40-D54 IonicContact CZ-OD1 3.93Å; R40-D54 IonicContact CZ-OD2 3.76Å; R40-D54 IonicContact NE-OD1 3.38Å; R40-D54 PolarHBondContact NE-OD1 3.24Å; R40-D54 IonicContact NH2-OD1 3.54Å; R40-D54 PolarHBondContact NH2-OD1 3.14Å; R40-D54 IonicContact NH2-OD2 3.66Å; R40-D54 PolarHBondContact NH2-OD2 3.28Å
55D97.6Very high96.5Very high130 Ų13071.1 Ų71.170%0.69538%0.376SS*.SBendtrans-95.3141.1178-58.6-62.4000112.1P53 Q57P53-D55 VanDerWaalsContact C-N 3.33Å; D55-Q57 PolarHBondContact O-N 2.81Å
56Y98.3Very high97Very high66 Ų6667 Ų6726%0.25935%0.346SS..  trans-61.7130174.5179.4-97.3000111.6D58 M67 C69 P159 V162Y56-D58 HydrophobicContact CE1-CB 3.78Å; Y56-D58 PolarHBondContact OH-OD1 3.28Å; Y56-M67 WeakPolarHBondContact OH-CB 3.46Å; Y56-C69 PolarHBondContact OH-SG 3.3Å; Y56-P159 HydrophobicContact CD2-CB 3.79Å; Y56-P159 HydrophobicContact CE2-CB 4.26Å; Y56-P159 HydrophobicContact CG-CB 4.02Å; Y56-V162 WeakPolarHBondContact CD2-O 3.24Å; Y56-V162 WeakPolarHBondContact CE2-O 3.43Å
57Q98.5Very high97.4Very high100 Ų10062 Ų6247%0.46732%0.315SS..  trans-117.1127175.1-66.4178.72.900109.7P53 D55 T163 P165P53-Q57 HydrophobicContact CG-CG 4.14Å; D55-Q57 PolarHBondContact O-N 2.81Å; Q57-T163 PolarHBondContact N-O 3.35Å; Q57-P165 HydrophobicContact CB-CG 4.14Å; Q57-P165 WeakPolarHBondContact O-CD 3.4Å; Q57-P165 VanDerWaalsContact O-CG 3.3Å; Q57-P165 WeakPolarHBondContact O-CG 3.45Å
58D98.1Very high97.5Very high49 Ų4955.6 Ų55.626%0.26229%0.288SS..  trans-96.1144-179.9-160.566.7000112.7Y56 S70Y56-D58 HydrophobicContact CE1-CB 3.78Å; Y56-D58 PolarHBondContact OH-OD1 3.28Å; D58-S70 VanDerWaalsContact CG-OG 3.32Å; D58-S70 WeakPolarHBondContact OD1-CA 3.21Å; D58-S70 WeakPolarHBondContact OD1-CB 3.47Å; D58-S70 PolarHBondContact OD1-OG 3.05Å; D58-S70 PolarHBondContact OD2-OG 3.42Å
59K98.1Very high97.6Very high105 Ų10554.4 Ų54.446%0.45728%0.28SS..  trans-142.7114.9167.1-67.4-66.2177.2-170.20110.5F64 P165K59-F64 HydrophobicContact CB-CB 3.9Å; K59-F64 HydrophobicContact CB-CD1 4.32Å; K59-F64 HydrophobicContact CB-CD2 3.76Å; K59-F64 HydrophobicContact CB-CE2 4.39Å; K59-F64 HydrophobicContact CB-CG 3.73Å; K59-F64 HydrophobicContact CG-CD1 4.42Å; K59-F64 HydrophobicContact CG-CD2 4.07Å; K59-F64 HydrophobicContact CG-CE2 4.2Å; K59-F64 HydrophobicContact CG-CG 4.2Å; K59-F64 HydrophobicContact CG-CZ 4.43Å; K59-P165 HydrophobicContact CB-CB 3.96Å; K59-P165 HydrophobicContact CB-CG 4.17Å; K59-P165 HydrophobicContact CG-CB 3.69Å; K59-P165 HydrophobicContact CG-CG 3.51Å
60W97.5Very high97.6Very high47 Ų4753.8 Ų53.818%0.17828%0.276CS..  trans-11167.8179.1-169.8-102.6000112.4R66 S70 E72 P197W60-R66 HydrophobicContact CD2-CB 4.34Å; W60-R66 HydrophobicContact CD2-CG 3.93Å; W60-R66 VanDerWaalsContact CD2-NH1 3.34Å; W60-R66 VanDerWaalsContact CE2-NH1 3.31Å; W60-R66 HydrophobicContact CE3-CB 3.71Å; W60-R66 HydrophobicContact CE3-CG 3.79Å; W60-R66 HydrophobicContact CH2-CB 4.01Å; W60-R66 HydrophobicContact CH2-CG 4.36Å; W60-R66 HydrophobicContact CZ2-CG 4.47Å; W60-R66 HydrophobicContact CZ3-CB 3.54Å; W60-R66 HydrophobicContact CZ3-CG 4.04Å; W60-R66 PolarHBondContact O-NH1 3.18Å; W60-S70 VanDerWaalsContact CE3-CB 3.5Å; W60-E72 HydrophobicContact CB-CB 3.93Å; W60-E72 HydrophobicContact CB-CG 3.81Å; W60-E72 HydrophobicContact CD2-CB 3.39Å; W60-E72 HydrophobicContact CD2-CG 4.29Å; W60-E72 HydrophobicContact CE3-CB 3.96Å; W60-E72 HydrophobicContact CG-CB 3.35Å; W60-E72 HydrophobicContact CG-CG 3.73Å; W60-E72 HydrophobicContact CZ2-CB 4.26Å; W60-E72 WeakPolarHBondContact CZ2-O 3.32Å; W60-P197 HydrophobicContact CH2-CB 3.84Å; W60-P197 HydrophobicContact CH2-CG 3.55Å; W60-P197 HydrophobicContact CZ3-CG 3.78Å
61N95.5Very high97.5Very high61 Ų6154.9 Ų54.933%0.32629%0.285SS..SBendtrans-145.2171.817665.557.5000111.7L63 F64N61-L63 PolarHBondContact O-N 3.04Å; N61-L63 VanDerWaalsContact OD1-CB 3.3Å; N61-L63 WeakPolarHBondContact OD1-CB 3.48Å; N61-L63 PolarHBondContact OD1-N 3.02Å; N61-F64 PolarHBondContact O-N 2.66Å; N61-F64 VanDerWaalsContact O-O 3.11Å; N61-F64 WeakPolarHBondContact OD1-CD2 3.44Å
62G92.1Very high97.5Very high49 Ų4959.1 Ų59.151%0.50530%0.302SS..THydrogen-bonded Turntrans-68.74.9-175.600000116
63L96.1Very high97.5Very high101 Ų10153.7 Ų53.753%0.52928%0.281SS..THydrogen-bonded Turntrans-100.1-13.4174.3-56.4174.9000112.8N61 P167 L168N61-L63 PolarHBondContact O-N 3.04Å; N61-L63 VanDerWaalsContact OD1-CB 3.3Å; N61-L63 WeakPolarHBondContact OD1-CB 3.48Å; N61-L63 PolarHBondContact OD1-N 3.02Å; L63-P167 WeakPolarHBondContact O-CA 3.32Å; L63-L168 PolarHBondContact O-N 2.98Å
64F98Very high97.4Very high53 Ų5356.3 Ų56.323%0.23230%0.297CS..BIsolated β-bridgetrans-128.7155.8-175.6-64.2-91.9000111K59 N61 R66 P165 I166 P167K59-F64 HydrophobicContact CB-CB 3.9Å; K59-F64 HydrophobicContact CB-CD1 4.32Å; K59-F64 HydrophobicContact CB-CD2 3.76Å; K59-F64 HydrophobicContact CB-CE2 4.39Å; K59-F64 HydrophobicContact CB-CG 3.73Å; K59-F64 HydrophobicContact CG-CD1 4.42Å; K59-F64 HydrophobicContact CG-CD2 4.07Å; K59-F64 HydrophobicContact CG-CE2 4.2Å; K59-F64 HydrophobicContact CG-CG 4.2Å; K59-F64 HydrophobicContact CG-CZ 4.43Å; N61-F64 PolarHBondContact O-N 2.66Å; N61-F64 VanDerWaalsContact O-O 3.11Å; N61-F64 WeakPolarHBondContact OD1-CD2 3.44Å; F64-R66 PolarHBondContact O-N 3.07Å; F64-P165 HydrophobicContact CD1-CB 3.48Å; F64-P165 VanDerWaalsContact CD1-CB 3.48Å; F64-P165 HydrophobicContact CE1-CB 3.84Å; F64-P165 HydrophobicContact CG-CB 4.22Å; F64-I166 CarbonylContact C-O 3.57Å; F64-I166 VanDerWaalsContact CA-O 3.32Å; F64-I166 WeakPolarHBondContact CA-O 3.22Å; F64-P167 HydrophobicContact CD1-CB 4.16Å; F64-P167 HydrophobicContact CE1-CB 4.11Å
65V98.4Very high97.3Very high3 Ų353.6 Ų53.62%0.01828%0.28CS..  trans-61125.6169.3176.30000108.5M67 I166 L168 F196 L338 F339V65-M67 HydrophobicContact CB-SD 4.49Å; V65-M67 HydrophobicContact CG1-SD 3.98Å; V65-M67 PolarHBondContact O-N 3.39Å; V65-I166 HydrophobicContact CB-CB 4.11Å; V65-I166 HydrophobicContact CG2-CB 3.83Å; V65-I166 HydrophobicContact CG2-CG2 3.76Å; V65-I166 PolarHBondContact N-O 3.03Å; V65-L168 HydrophobicContact CG2-CD2 3.68Å; V65-F196 HydrophobicContact CG1-CE1 4.44Å; V65-L338 HydrophobicContact CG1-CD1 3.68Å; V65-L338 HydrophobicContact CG1-CD2 4.11Å; V65-L338 HydrophobicContact CG1-CG 3.85Å; V65-L338 HydrophobicContact CG2-CG 4.07Å; V65-F339 HydrophobicContact CG2-CB 3.82Å
66R98.2Very high97Very high22 Ų2251.2 Ų51.28%0.08327%0.272CS..  trans-73.6107.5171.7-71.7-176.1-167.3-71.4-3.9109.4W60 F64 P197 E207 Y208W60-R66 HydrophobicContact CD2-CB 4.34Å; W60-R66 HydrophobicContact CD2-CG 3.93Å; W60-R66 VanDerWaalsContact CD2-NH1 3.34Å; W60-R66 VanDerWaalsContact CE2-NH1 3.31Å; W60-R66 HydrophobicContact CE3-CB 3.71Å; W60-R66 HydrophobicContact CE3-CG 3.79Å; W60-R66 HydrophobicContact CH2-CB 4.01Å; W60-R66 HydrophobicContact CH2-CG 4.36Å; W60-R66 HydrophobicContact CZ2-CG 4.47Å; W60-R66 HydrophobicContact CZ3-CB 3.54Å; W60-R66 HydrophobicContact CZ3-CG 4.04Å; W60-R66 PolarHBondContact O-NH1 3.18Å; F64-R66 PolarHBondContact O-N 3.07Å; R66-P197 HydrophobicContact CB-CG 3.85Å; R66-P197 VanDerWaalsContact O-CD 3.29Å; R66-P197 WeakPolarHBondContact O-CD 3.34Å; R66-P197 WeakPolarHBondContact O-CG 3.34Å; R66-E207 IonicContact CZ-OE1 3.75Å; R66-E207 IonicContact CZ-OE2 2.84Å; R66-E207 IonicContact NE-OE1 3.37Å; R66-E207 PolarHBondContact NE-OE1 2.87Å; R66-E207 IonicContact NE-OE2 2.72Å; R66-E207 PolarHBondContact NE-OE2 3.09Å; R66-E207 IonicContact NH2-OE1 3.6Å; R66-E207 PolarHBondContact NH2-OE1 3.39Å; R66-E207 IonicContact NH2-OE2 2.81Å; R66-Y208 WeakPolarHBondContact CG-OH 3.44Å
67M98.6Very high96.5Very high5 Ų549.4 Ų49.43%0.02527%0.268CS..  trans-77.5142.1-175.4-63.3-62.9-82.800111.5Y56 V65 C69 S70 L158 V162 L187Y56-M67 WeakPolarHBondContact OH-CB 3.46Å; V65-M67 HydrophobicContact CB-SD 4.49Å; V65-M67 HydrophobicContact CG1-SD 3.98Å; V65-M67 PolarHBondContact O-N 3.39Å; M67-C69 PolarHBondContact O-N 3.02Å; M67-S70 WeakPolarHBondContact O-CB 3.44Å; M67-S70 PolarHBondContact O-N 2.7Å; M67-S70 VanDerWaalsContact O-N 3.13Å; M67-L158 HydrophobicContact CE-CD1 3.9Å; M67-L158 HydrophobicContact CE-CD2 3.68Å; M67-L158 HydrophobicContact CE-CG 3.83Å; M67-V162 HydrophobicContact CE-CB 4.22Å; M67-V162 HydrophobicContact CE-CG1 3.95Å; M67-L187 HydrophobicContact CE-CD2 4.11Å
68P98.5Very high95.9Very high0 Ų052.3 Ų52.30%028%0.276CS..THydrogen-bonded Turntrans-58.2-32.7176.7-24.132.5000114.2S70 W89 I92 L158 N190 T195 F196P68-S70 VanDerWaalsContact C-N 3.32Å; P68-W89 HydrophobicContact CB-CE3 3.9Å; P68-W89 HydrophobicContact CB-CZ3 3.74Å; P68-I92 HydrophobicContact CB-CD1 4.47Å; P68-L158 HydrophobicContact CG-CD2 4.19Å; P68-N190 HydrophobicContact CG-CB 4.48Å; P68-T195 VanDerWaalsContact CG-OG1 3.22Å; P68-T195 WeakPolarHBondContact CG-OG1 3.36Å; P68-F196 HydrophobicContact CG-CD1 3.87Å; P68-F196 HydrophobicContact CG-CE1 4.1Å; P68-F196 HydrophobicContact CG-CG 4.4Å
69C98.4Very high94.9Very high16 Ų1656 Ų5611%0.10829%0.291CS..THydrogen-bonded Turntrans-83.1-0.2179.955.20000114.4Y56 M67 W89 P159Y56-C69 PolarHBondContact OH-SG 3.3Å; M67-C69 PolarHBondContact O-N 3.02Å; C69-W89 HydrophobicContact CB-CD2 3.66Å; C69-W89 HydrophobicContact CB-CE3 3.99Å; C69-W89 HydrophobicContact CB-CG 4.07Å; C69-W89 HydrophobicContact CB-CH2 4.35Å; C69-W89 HydrophobicContact CB-CZ2 4.05Å; C69-W89 HydrophobicContact CB-CZ3 4.33Å; C69-P159 HydrophobicContact CB-CG 4.47Å
70S98.6Very high94.2Very high0 Ų055.5 Ų55.50%032%0.316CS..SBendtrans-64.4136.3174.5179.60000110.4D58 W60 M67 P68 E72 S73D58-S70 VanDerWaalsContact CG-OG 3.32Å; D58-S70 WeakPolarHBondContact OD1-CA 3.21Å; D58-S70 WeakPolarHBondContact OD1-CB 3.47Å; D58-S70 PolarHBondContact OD1-OG 3.05Å; D58-S70 PolarHBondContact OD2-OG 3.42Å; W60-S70 VanDerWaalsContact CE3-CB 3.5Å; M67-S70 WeakPolarHBondContact O-CB 3.44Å; M67-S70 PolarHBondContact O-N 2.7Å; M67-S70 VanDerWaalsContact O-N 3.13Å; P68-S70 VanDerWaalsContact C-N 3.32Å; S70-E72 PolarHBondContact O-N 3.41Å; S70-E72 VanDerWaalsContact O-N 3.12Å; S70-E72 PolarHBondContact OG-N 3.42Å; S70-S73 VanDerWaalsContact O-CB 3.24Å; S70-S73 WeakPolarHBondContact O-CB 3.44Å; S70-S73 PolarHBondContact O-N 3.43Å
71P96.9Very high93.5Very high93 Ų9355.6 Ų55.660%0.60433%0.332SS*.THydrogen-bonded Turntrans-56.1-25.9172.3-25.735000113.7S73P71-S73 VanDerWaalsContact C-N 3.29Å; P71-S73 PolarHBondContact O-N 3.41Å
72E97.5Very high93Very high114 Ų11455.5 Ų55.553%0.53334%0.339SS..THydrogen-bonded Turntrans-77.1-13.7178.6-62.4-72.5166.300113.3W60 S70 V74W60-E72 HydrophobicContact CB-CB 3.93Å; W60-E72 HydrophobicContact CB-CG 3.81Å; W60-E72 HydrophobicContact CD2-CB 3.39Å; W60-E72 HydrophobicContact CD2-CG 4.29Å; W60-E72 HydrophobicContact CE3-CB 3.96Å; W60-E72 HydrophobicContact CG-CB 3.35Å; W60-E72 HydrophobicContact CG-CG 3.73Å; W60-E72 HydrophobicContact CZ2-CB 4.26Å; W60-E72 WeakPolarHBondContact CZ2-O 3.32Å; S70-E72 PolarHBondContact O-N 3.41Å; S70-E72 VanDerWaalsContact O-N 3.12Å; S70-E72 PolarHBondContact OG-N 3.42Å; E72-V74 VanDerWaalsContact C-N 3.31Å; E72-V74 PolarHBondContact O-N 2.98Å
73S97.5Very high92.8Very high4 Ų459.6 Ų59.63%0.02835%0.349CS..  trans-75.586.5168.6-172.40000108S70 P71 R88S70-S73 VanDerWaalsContact O-CB 3.24Å; S70-S73 WeakPolarHBondContact O-CB 3.44Å; S70-S73 PolarHBondContact O-N 3.43Å; P71-S73 VanDerWaalsContact C-N 3.29Å; P71-S73 PolarHBondContact O-N 3.41Å; S73-R88 WeakPolarHBondContact O-CA 3.42Å; S73-R88 WeakPolarHBondContact O-CB 3.43Å; S73-R88 PolarHBondContact O-N 3.16Å
74V96.6Very high92.6Very high71 Ų7157 Ų5743%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-97.8155.4-177.8-63.40000112.9E72 L85 I86E72-V74 VanDerWaalsContact C-N 3.31Å; E72-V74 PolarHBondContact O-N 2.98Å; V74-L85 HydrophobicContact CB-CB 4.36Å; V74-L85 HydrophobicContact CG2-CD1 4.32Å; V74-I86 CarbonylContact C-O 3.57Å; V74-I86 VanDerWaalsContact CA-O 3.24Å; V74-I86 WeakPolarHBondContact CA-O 3.38Å
75Y94Very high92.3Very high36 Ų3660.3 Ų60.314%0.14136%0.359CS..EExtended strand (participates in β ladder)trans-136135.6178.7-164.4-105000110.9V77 I86 R88 V91 S112 Y113 Y115Y75-V77 HydrophobicContact CD1-CG1 4.21Å; Y75-I86 PolarHBondContact N-O 3.22Å; Y75-I86 PolarHBondContact O-N 2.87Å; Y75-I86 VanDerWaalsContact O-N 3.08Å; Y75-R88 HydrophobicContact CD2-CG 4.16Å; Y75-R88 HydrophobicContact CG-CG 4.3Å; Y75-V91 HydrophobicContact CD1-CG2 4.3Å; Y75-S112 PolarHBondContact OH-O 2.9Å; Y75-Y113 WeakPolarHBondContact CE2-O 3.44Å; Y75-Y115 WeakPolarHBondContact OH-CB 3.42Å; Y75-Y115 PolarHBondContact OH-N 2.76Å; Y75-Y115 VanDerWaalsContact OH-N 3.08Å
76P92.3Very high92.1Very high81 Ų8162.5 Ų62.553%0.52637%0.37SS..EExtended strand (participates in β ladder)trans-74.3131.9177.230.7-33.6000111.1S84 L85P76-S84 WeakPolarHBondContact CA-O 3.22Å; P76-L85 HydrophobicContact CB-CD2 4.06Å
77V87.1Confident92.1Very high28 Ų2863.2 Ų63.217%0.1738%0.378CS..EExtended strand (participates in β ladder)trans-129.3151.4172.5-64.40000110.1Y75 E79 N83 S84 I86Y75-V77 HydrophobicContact CD1-CG1 4.21Å; V77-E79 HydrophobicContact CG2-CG 4.26Å; V77-N83 WeakPolarHBondContact O-CA 3.45Å; V77-S84 WeakPolarHBondContact CG2-OG 3.49Å; V77-S84 PolarHBondContact N-O 2.9Å; V77-S84 PolarHBondContact O-N 3.38Å; V77-I86 HydrophobicContact CB-CD1 4.48Å; V77-I86 HydrophobicContact CG1-CD1 3.66Å; V77-I86 HydrophobicContact CG1-CG1 3.87Å; V77-I86 HydrophobicContact CG2-CB 4.49Å; V77-I86 HydrophobicContact CG2-CD1 4.03Å; V77-I86 HydrophobicContact CG2-CG1 3.95Å; V77-I86 HydrophobicContact CG2-CG2 3.83Å
78Y85.3Confident92Very high161 Ų16164 Ų6463%0.63138%0.381SS*.EExtended strand (participates in β ladder)trans-105.5106.5174.9-173-103.9000108.7G81 N83Y78-G81 VanDerWaalsContact CE2-C 3.45Å; Y78-G81 WeakPolarHBondContact CE2-O 3.48Å; Y78-G81 WeakPolarHBondContact OH-CA 3.48Å; Y78-G81 PolarHBondContact OH-O 3.45Å; Y78-N83 WeakPolarHBondContact CD2-OD1 3.36Å
79E78.8Confident92Very high126 Ų12665 Ų6559%0.58939%0.385SS*.EExtended strand (participates in β ladder)trans-132.8137-178.3-70.9-173.2172.400110.1V77 G81 A82V77-E79 HydrophobicContact CG2-CG 4.26Å; E79-G81 PolarHBondContact O-N 3.28Å; E79-G81 VanDerWaalsContact O-N 3.1Å; E79-A82 PolarHBondContact N-O 3.43Å; E79-A82 PolarHBondContact O-N 3.27Å; E79-A82 VanDerWaalsContact O-N 3.07Å; E79-A82 VanDerWaalsContact O-O 3.09Å
80G81.5Confident92Very high94 Ų9468.1 Ų68.197%0.96940%0.403SS*.THydrogen-bonded Turntrans61.820.4176.900000115.3
81G83.7Confident91.9Very high50 Ų5069.2 Ų69.252%0.51541%0.41SS..THydrogen-bonded Turntrans90.3-0.5-177.400000115Y78 E79Y78-G81 VanDerWaalsContact CE2-C 3.45Å; Y78-G81 WeakPolarHBondContact CE2-O 3.48Å; Y78-G81 WeakPolarHBondContact OH-CA 3.48Å; Y78-G81 PolarHBondContact OH-O 3.45Å; E79-G81 PolarHBondContact O-N 3.28Å; E79-G81 VanDerWaalsContact O-N 3.1Å
82A85.2Confident92Very high58 Ų5864.8 Ų64.848%0.47938%0.381SS..EExtended strand (participates in β ladder)trans-124.5150.9-178.200000112.3E79E79-A82 PolarHBondContact N-O 3.43Å; E79-A82 PolarHBondContact O-N 3.27Å; E79-A82 VanDerWaalsContact O-N 3.07Å; E79-A82 VanDerWaalsContact O-O 3.09Å
83N87.6Confident92Very high135 Ų13561.6 Ų61.672%0.72237%0.366SS*.EExtended strand (participates in β ladder)trans-78.8126.6168.4-71.7-40.4000109.2V77 Y78V77-N83 WeakPolarHBondContact O-CA 3.45Å; Y78-N83 WeakPolarHBondContact CD2-OD1 3.36Å
84S91.5Very high92.1Very high46 Ų4668.7 Ų68.732%0.32240%0.396SS..EExtended strand (participates in β ladder)trans-126.4157.2171.567.70000110.5P76 V77P76-S84 WeakPolarHBondContact CA-O 3.22Å; V77-S84 WeakPolarHBondContact CG2-OG 3.49Å; V77-S84 PolarHBondContact N-O 2.9Å; V77-S84 PolarHBondContact O-N 3.38Å
85L93.1Very high92.2Very high123 Ų12365.7 Ų65.764%0.64438%0.38SS*.EExtended strand (participates in β ladder)trans-102.1124171.8-65.8177.9000108.1V74 P76V74-L85 HydrophobicContact CB-CB 4.36Å; V74-L85 HydrophobicContact CG2-CD1 4.32Å; P76-L85 HydrophobicContact CB-CD2 4.06Å
86I94.3Very high92.4Very high50 Ų5064.2 Ų64.226%0.25637%0.374SS..EExtended strand (participates in β ladder)trans-116.8165.4172.964168.1000109.9V74 Y75 V77 R88 V91V74-I86 CarbonylContact C-O 3.57Å; V74-I86 VanDerWaalsContact CA-O 3.24Å; V74-I86 WeakPolarHBondContact CA-O 3.38Å; Y75-I86 PolarHBondContact N-O 3.22Å; Y75-I86 PolarHBondContact O-N 2.87Å; Y75-I86 VanDerWaalsContact O-N 3.08Å; V77-I86 HydrophobicContact CB-CD1 4.48Å; V77-I86 HydrophobicContact CG1-CD1 3.66Å; V77-I86 HydrophobicContact CG1-CG1 3.87Å; V77-I86 HydrophobicContact CG2-CB 4.49Å; V77-I86 HydrophobicContact CG2-CD1 4.03Å; V77-I86 HydrophobicContact CG2-CG1 3.95Å; V77-I86 HydrophobicContact CG2-CG2 3.83Å; I86-R88 PolarHBondContact O-N 2.93Å; I86-R88 VanDerWaalsContact O-N 3.16Å; I86-V91 HydrophobicContact CD1-CG2 3.63Å; I86-V91 HydrophobicContact CG1-CG2 4.2Å
87S96.6Very high92.7Very high36 Ų3668.2 Ų68.225%0.25238%0.378SS..EExtended strand (participates in β ladder)trans-58.9122.3170.2176.40000109.8W89 V90S87-W89 PolarHBondContact O-N 2.91Å; S87-W89 WeakPolarHBondContact OG-CB 3.42Å; S87-W89 PolarHBondContact OG-N 3.43Å; S87-V90 WeakPolarHBondContact O-CB 3.4Å; S87-V90 PolarHBondContact O-N 3.35Å; S87-V90 VanDerWaalsContact O-N 3.17Å
88R97.4Very high93.1Very high21 Ų2171.7 Ų71.78%0.07940%0.396CS..Hα-helixtrans-60.4-30.6174.6-170.2172.7-175.5-140.3-0.9111.2S73 Y75 I86 V90 V91 I92 Y113 N114 T195S73-R88 WeakPolarHBondContact O-CA 3.42Å; S73-R88 WeakPolarHBondContact O-CB 3.43Å; S73-R88 PolarHBondContact O-N 3.16Å; Y75-R88 HydrophobicContact CD2-CG 4.16Å; Y75-R88 HydrophobicContact CG-CG 4.3Å; I86-R88 PolarHBondContact O-N 2.93Å; I86-R88 VanDerWaalsContact O-N 3.16Å; R88-V90 VanDerWaalsContact C-N 3.29Å; R88-V90 PolarHBondContact O-N 2.96Å; R88-V91 PolarHBondContact O-N 3.42Å; R88-V91 VanDerWaalsContact O-N 3.14Å; R88-I92 HydrophobicContact CG-CD1 4.01Å; R88-I92 HydrophobicContact CG-CG1 4.44Å; R88-I92 WeakPolarHBondContact O-CG1 3.23Å; R88-I92 PolarHBondContact O-N 3.37Å; R88-Y113 PolarHBondContact NE-O 3.46Å; R88-Y113 VanDerWaalsContact NE-O 3.12Å; R88-Y113 PolarHBondContact NH2-O 2.93Å; R88-N114 VanDerWaalsContact NH2-CG 3.3Å; R88-N114 PolarHBondContact NH2-OD1 3.3Å; R88-T195 PolarHBondContact NH1-O 2.93Å
89W98.5Very high93.6Very high22 Ų2271.4 Ų71.48%0.08340%0.398CS..Hα-helixtrans-57.6-43.1176.3-169.6-116.1000111.4P68 C69 S87 V91 I92 E93 A155 L156 L158P68-W89 HydrophobicContact CB-CE3 3.9Å; P68-W89 HydrophobicContact CB-CZ3 3.74Å; C69-W89 HydrophobicContact CB-CD2 3.66Å; C69-W89 HydrophobicContact CB-CE3 3.99Å; C69-W89 HydrophobicContact CB-CG 4.07Å; C69-W89 HydrophobicContact CB-CH2 4.35Å; C69-W89 HydrophobicContact CB-CZ2 4.05Å; C69-W89 HydrophobicContact CB-CZ3 4.33Å; S87-W89 PolarHBondContact O-N 2.91Å; S87-W89 WeakPolarHBondContact OG-CB 3.42Å; S87-W89 PolarHBondContact OG-N 3.43Å; W89-V91 VanDerWaalsContact C-N 3.27Å; W89-V91 PolarHBondContact O-N 3.01Å; W89-I92 HydrophobicContact CE3-CB 4.25Å; W89-I92 HydrophobicContact CE3-CD1 4.03Å; W89-I92 HydrophobicContact CE3-CG2 4.14Å; W89-I92 HydrophobicContact CZ3-CD1 4.47Å; W89-I92 HydrophobicContact CZ3-CG2 3.95Å; W89-I92 CarbonylContact O-C 3.51Å; W89-I92 WeakPolarHBondContact O-CA 3.36Å; W89-I92 WeakPolarHBondContact O-CB 3.07Å; W89-I92 PolarHBondContact O-N 3.38Å; W89-I92 VanDerWaalsContact O-N 3.09Å; W89-E93 HydrophobicContact CD2-CG 4.3Å; W89-E93 HydrophobicContact CG-CG 4.3Å; W89-E93 HydrophobicContact CZ2-CG 4.43Å; W89-E93 WeakPolarHBondContact O-CG 3.45Å; W89-E93 PolarHBondContact O-N 3.4Å; W89-A155 WeakPolarHBondContact CH2-O 3.31Å; W89-L156 HydrophobicContact CZ2-CD2 4.41Å; W89-L158 HydrophobicContact CH2-CB 4.49Å
90V97.2Very high94.6Very high81 Ų8166 Ų6649%0.49137%0.373SS..Hα-helixtrans-59-38.9177175.80000111.9S87 R88 K94S87-V90 WeakPolarHBondContact O-CB 3.4Å; S87-V90 PolarHBondContact O-N 3.35Å; S87-V90 VanDerWaalsContact O-N 3.17Å; R88-V90 VanDerWaalsContact C-N 3.29Å; R88-V90 PolarHBondContact O-N 2.96Å; V90-K94 WeakPolarHBondContact O-CB 3.32Å; V90-K94 PolarHBondContact O-N 2.75Å
91V97.5Very high95.3Very high24 Ų2467.8 Ų67.815%0.14535%0.354CS..Hα-helixtrans-68.7-41.8176.7-1690000111.1Y75 I86 R88 W89 K94 A95Y75-V91 HydrophobicContact CD1-CG2 4.3Å; I86-V91 HydrophobicContact CD1-CG2 3.63Å; I86-V91 HydrophobicContact CG1-CG2 4.2Å; R88-V91 PolarHBondContact O-N 3.42Å; R88-V91 VanDerWaalsContact O-N 3.14Å; W89-V91 VanDerWaalsContact C-N 3.27Å; W89-V91 PolarHBondContact O-N 3.01Å; V91-K94 PolarHBondContact O-N 3.23Å; V91-A95 WeakPolarHBondContact O-CB 3.48Å; V91-A95 PolarHBondContact O-N 3.36Å
92I98.7Very high96Very high0 Ų067.2 Ų67.20%034%0.342CS..Hα-helixtrans-61.5-47.9174.8-67.9161.4000110.4P68 R88 W89 K94 A95 L96 Y113 T195P68-I92 HydrophobicContact CB-CD1 4.47Å; R88-I92 HydrophobicContact CG-CD1 4.01Å; R88-I92 HydrophobicContact CG-CG1 4.44Å; R88-I92 WeakPolarHBondContact O-CG1 3.23Å; R88-I92 PolarHBondContact O-N 3.37Å; W89-I92 HydrophobicContact CE3-CB 4.25Å; W89-I92 HydrophobicContact CE3-CD1 4.03Å; W89-I92 HydrophobicContact CE3-CG2 4.14Å; W89-I92 HydrophobicContact CZ3-CD1 4.47Å; W89-I92 HydrophobicContact CZ3-CG2 3.95Å; W89-I92 CarbonylContact O-C 3.51Å; W89-I92 WeakPolarHBondContact O-CA 3.36Å; W89-I92 WeakPolarHBondContact O-CB 3.07Å; W89-I92 PolarHBondContact O-N 3.38Å; W89-I92 VanDerWaalsContact O-N 3.09Å; I92-K94 PolarHBondContact O-N 2.94Å; I92-A95 PolarHBondContact O-N 2.86Å; I92-L96 HydrophobicContact CG2-CD1 3.74Å; I92-L96 HydrophobicContact CG2-CG 4.25Å; I92-L96 WeakPolarHBondContact O-CG 3.37Å; I92-L96 PolarHBondContact O-N 3.41Å; I92-Y113 HydrophobicContact CB-CD1 4.34Å; I92-Y113 HydrophobicContact CD1-CD2 4.4Å; I92-Y113 HydrophobicContact CG1-CD1 3.84Å; I92-Y113 HydrophobicContact CG1-CD2 3.69Å; I92-Y113 HydrophobicContact CG1-CE1 4.2Å; I92-Y113 HydrophobicContact CG1-CE2 4.07Å; I92-Y113 HydrophobicContact CG1-CG 3.57Å; I92-T195 HydrophobicContact CD1-CG2 4.06Å; I92-T195 HydrophobicContact CG1-CG2 4.31Å; I92-T195 HydrophobicContact CG2-CG2 3.88Å
93E98.7Very high96.6Very high47 Ų4765.3 Ų65.322%0.2233%0.325CS..Hα-helixtrans-58.6-47.3178.1-69.5-164.397.200111.4W89 A95 L96 R97 L156W89-E93 HydrophobicContact CD2-CG 4.3Å; W89-E93 HydrophobicContact CG-CG 4.3Å; W89-E93 HydrophobicContact CZ2-CG 4.43Å; W89-E93 WeakPolarHBondContact O-CG 3.45Å; W89-E93 PolarHBondContact O-N 3.4Å; E93-A95 VanDerWaalsContact C-N 3.3Å; E93-A95 PolarHBondContact O-N 3.06Å; E93-L96 PolarHBondContact O-N 3.24Å; E93-R97 WeakPolarHBondContact O-CB 3.32Å; E93-R97 WeakPolarHBondContact O-CG 3.39Å; E93-R97 PolarHBondContact O-N 2.66Å; E93-R97 IonicContact OE1-CZ 3.57Å; E93-R97 IonicContact OE1-NE 3.53Å; E93-R97 IonicContact OE1-NH2 2.75Å; E93-R97 PolarHBondContact OE1-NH2 3.38Å; E93-L156 HydrophobicContact CB-CD2 4.16Å; E93-L156 HydrophobicContact CG-CD2 3.82Å
94K97.8Very high97.1Very high152 Ų15262.7 Ų62.766%0.66131%0.311SS*.Hα-helixtrans-57.7-44.2176.5-175.8178.7179.4179.30111.5V90 V91 I92 N98V90-K94 WeakPolarHBondContact O-CB 3.32Å; V90-K94 PolarHBondContact O-N 2.75Å; V91-K94 PolarHBondContact O-N 3.23Å; I92-K94 PolarHBondContact O-N 2.94Å; K94-N98 VanDerWaalsContact O-CG 3.22Å; K94-N98 PolarHBondContact O-ND2 2.94Å
95A98.5Very high97.5Very high9 Ų964.3 Ų64.37%0.07431%0.314CS..Hα-helixtrans-67.1-46.1-179.200000112.7V91 I92 E93 A109 S112 Y113V91-A95 WeakPolarHBondContact O-CB 3.48Å; V91-A95 PolarHBondContact O-N 3.36Å; I92-A95 PolarHBondContact O-N 2.86Å; E93-A95 VanDerWaalsContact C-N 3.3Å; E93-A95 PolarHBondContact O-N 3.06Å; A95-A109 HydrophobicContact CB-CB 4.41Å; A95-S112 WeakPolarHBondContact CB-OG 3.4Å; A95-Y113 HydrophobicContact CB-CD1 3.84Å; A95-Y113 HydrophobicContact CB-CE1 3.74Å
96L98.7Very high97.7Very high5 Ų558.8 Ų58.83%0.02629%0.285CS..Hα-helixtrans-84.7-17.1-173.6-60-177.2000114.1I92 E93 C152 A155 L156 F193I92-L96 HydrophobicContact CG2-CD1 3.74Å; I92-L96 HydrophobicContact CG2-CG 4.25Å; I92-L96 WeakPolarHBondContact O-CG 3.37Å; I92-L96 PolarHBondContact O-N 3.41Å; E93-L96 PolarHBondContact O-N 3.24Å; L96-C152 HydrophobicContact CB-CB 4.3Å; L96-C152 WeakPolarHBondContact O-CB 3.15Å; L96-A155 HydrophobicContact CD1-CB 4.17Å; L96-L156 HydrophobicContact CB-CD1 4.07Å; L96-L156 HydrophobicContact CB-CD2 4.13Å; L96-L156 HydrophobicContact CB-CG 4.18Å; L96-L156 HydrophobicContact CD1-CD2 4.34Å; L96-F193 HydrophobicContact CD1-CB 4.34Å; L96-F193 HydrophobicContact CD1-CD2 3.73Å; L96-F193 HydrophobicContact CD1-CE2 4.16Å; L96-F193 HydrophobicContact CD1-CG 4.03Å; L96-F193 HydrophobicContact CD2-CD1 3.73Å; L96-F193 HydrophobicContact CD2-CD2 4.17Å; L96-F193 HydrophobicContact CD2-CE1 3.9Å; L96-F193 HydrophobicContact CD2-CE2 4.31Å; L96-F193 HydrophobicContact CD2-CG 3.89Å; L96-F193 HydrophobicContact CD2-CZ 4.2Å
97R98.2Very high97.9Very high164 Ų16458.5 Ų58.562%0.61928%0.282SS*.Hα-helixtrans-79-20.4170.9-70.1174.8-173-73.50.3112.5E93 L156E93-R97 WeakPolarHBondContact O-CB 3.32Å; E93-R97 WeakPolarHBondContact O-CG 3.39Å; E93-R97 PolarHBondContact O-N 2.66Å; E93-R97 IonicContact OE1-CZ 3.57Å; E93-R97 IonicContact OE1-NE 3.53Å; E93-R97 IonicContact OE1-NH2 2.75Å; E93-R97 PolarHBondContact OE1-NH2 3.38Å; R97-L156 HydrophobicContact CG-CD1 3.64Å
98N96.5Very high98Very high101 Ų10160.9 Ų60.954%0.5429%0.289SS..SBendtrans-71.3144.1173.6-70.1-29.1000110.3K94 I100K94-N98 VanDerWaalsContact O-CG 3.22Å; K94-N98 PolarHBondContact O-ND2 2.94Å; N98-I100 PolarHBondContact O-N 3.37Å
99K96.6Very high98.1Very high156 Ų15660.5 Ų60.568%0.67829%0.29SS*.PPolyproline II helixtrans-69.8117.8175.5-175.5170.8-175.9170.30109.6K101K99-K101 HydrophobicContact CG-CG 4.15Å
100I98.5Very high98.1Very high12 Ų1259.5 Ų59.56%0.06229%0.286CS..PPolyproline II helixtrans-100.9120.7177.3-62.3167.2000108.6N98 E105 L106 A109 L148N98-I100 PolarHBondContact O-N 3.37Å; I100-E105 HydrophobicContact CG2-CB 3.87Å; I100-L106 HydrophobicContact CD1-CD1 4.13Å; I100-L106 HydrophobicContact CG2-CB 3.71Å; I100-L106 VanDerWaalsContact CG2-N 3.34Å; I100-A109 HydrophobicContact CD1-CB 3.71Å; I100-A109 HydrophobicContact CG1-CB 4.3Å; I100-L148 HydrophobicContact CB-CD2 3.85Å; I100-L148 HydrophobicContact CG2-CD2 3.65Å
101K97.5Very high98.1Very high132 Ų13255.9 Ų55.957%0.57426%0.264SS*.  trans-110.5-9.7-170.8-58.9175.7-173.9171.10114.5K99 E105K99-K101 HydrophobicContact CG-CG 4.15Å; K101-E105 PolarHBondContact N-OE2 3.37Å
102S98Very high98Very high37 Ų3757.2 Ų57.226%0.25928%0.275SS..SBendtrans-150.2166.7-175.170.50000111.9D104 E105 L106 F144S102-D104 VanDerWaalsContact C-N 3.25Å; S102-D104 PolarHBondContact O-N 3.24Å; S102-E105 PolarHBondContact O-N 3.38Å; S102-E105 WeakPolarHBondContact OG-CG 3.46Å; S102-E105 PolarHBondContact OG-N 3.28Å; S102-E105 VanDerWaalsContact OG-N 3.15Å; S102-L106 PolarHBondContact O-N 2.97Å; S102-F144 VanDerWaalsContact C-CZ 3.43Å; S102-F144 WeakPolarHBondContact O-CE1 3.44Å
103S97.6Very high97.9Very high18 Ų1857.2 Ų57.213%0.12628%0.275CS..Hα-helixtrans-60.9-35.3174.150.40000112.3L106 K107S103-L106 PolarHBondContact O-N 2.92Å; S103-K107 WeakPolarHBondContact O-CB 3.14Å; S103-K107 PolarHBondContact O-N 3.17Å
104D98.2Very high97.8Very high80 Ų8055.2 Ų55.243%0.42827%0.266SS..Hα-helixtrans-68.9-43.3176.6-78.6-47000112.1S102 L106 K107 E108S102-D104 VanDerWaalsContact C-N 3.25Å; S102-D104 PolarHBondContact O-N 3.24Å; D104-L106 VanDerWaalsContact C-N 3.29Å; D104-L106 PolarHBondContact O-N 3.22Å; D104-K107 WeakPolarHBondContact O-CB 3.34Å; D104-K107 PolarHBondContact O-N 3.29Å; D104-K107 IonicContact OD1-NZ 2.63Å; D104-K107 PolarHBondContact OD1-NZ 3.33Å; D104-E108 WeakPolarHBondContact O-CG 3.42Å; D104-E108 PolarHBondContact O-N 2.73Å
105E98.6Very high97.5Very high81 Ų8154.7 Ų54.738%0.37926%0.261SS..Hα-helixtrans-63.6-37174.4-71.9178.4-157.300111.4I100 K101 S102 E108 A109I100-E105 HydrophobicContact CG2-CB 3.87Å; K101-E105 PolarHBondContact N-OE2 3.37Å; S102-E105 PolarHBondContact O-N 3.38Å; S102-E105 WeakPolarHBondContact OG-CG 3.46Å; S102-E105 PolarHBondContact OG-N 3.28Å; S102-E105 VanDerWaalsContact OG-N 3.15Å; E105-E108 PolarHBondContact O-N 3.22Å; E105-A109 WeakPolarHBondContact O-CB 3.46Å; E105-A109 PolarHBondContact O-N 3.07Å
106L98.6Very high97.2Very high7 Ų764 Ų644%0.03729%0.294CS..Hα-helixtrans-65.3-43.4175.7-179.750.3000111.6I100 S102 S103 D104 A109 I110 L126 F143 L148 F193I100-L106 HydrophobicContact CD1-CD1 4.13Å; I100-L106 HydrophobicContact CG2-CB 3.71Å; I100-L106 VanDerWaalsContact CG2-N 3.34Å; S102-L106 PolarHBondContact O-N 2.97Å; S103-L106 PolarHBondContact O-N 2.92Å; D104-L106 VanDerWaalsContact C-N 3.29Å; D104-L106 PolarHBondContact O-N 3.22Å; L106-A109 PolarHBondContact O-N 3Å; L106-I110 HydrophobicContact CD1-CD1 3.82Å; L106-I110 HydrophobicContact CD1-CG1 4.22Å; L106-I110 HydrophobicContact CG-CD1 4.13Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 3.41Å; L106-L126 HydrophobicContact CB-CD2 4.39Å; L106-L126 HydrophobicContact CD2-CD2 3.75Å; L106-L126 HydrophobicContact CG-CD2 4.14Å; L106-F143 HydrophobicContact CD2-CE1 4.43Å; L106-F143 HydrophobicContact CD2-CZ 4.44Å; L106-L148 HydrophobicContact CD1-CD1 4.3Å; L106-L148 HydrophobicContact CD2-CD1 4.15Å; L106-L148 HydrophobicContact CD2-CD2 4.31Å; L106-F193 HydrophobicContact CD1-CD1 4.16Å; L106-F193 HydrophobicContact CD1-CE1 3.8Å
107K98.3Very high97Very high44 Ų4465.7 Ų65.719%0.19130%0.301CS..Hα-helixtrans-57.1-51.9172.7173-173.779.7-158.80110.9S103 D104 A109 I110 L111 F123S103-K107 WeakPolarHBondContact O-CB 3.14Å; S103-K107 PolarHBondContact O-N 3.17Å; D104-K107 WeakPolarHBondContact O-CB 3.34Å; D104-K107 PolarHBondContact O-N 3.29Å; D104-K107 IonicContact OD1-NZ 2.63Å; D104-K107 PolarHBondContact OD1-NZ 3.33Å; K107-A109 VanDerWaalsContact C-N 3.33Å; K107-A109 PolarHBondContact O-N 3.08Å; K107-I110 PolarHBondContact O-N 2.71Å; K107-L111 HydrophobicContact CG-CD1 3.81Å; K107-L111 HydrophobicContact CG-CG 4.46Å; K107-L111 WeakPolarHBondContact O-CB 3.47Å; K107-L111 VanDerWaalsContact O-CG 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.31Å; K107-L111 PolarHBondContact O-N 3.46Å; K107-F123 HydrophobicContact CB-CB 4.13Å; K107-F123 HydrophobicContact CB-CD1 4.22Å; K107-F123 HydrophobicContact CB-CD2 4.18Å; K107-F123 HydrophobicContact CB-CG 3.92Å; K107-F123 HydrophobicContact CD-CB 4.12Å; K107-F123 HydrophobicContact CD-CD2 4.26Å; K107-F123 HydrophobicContact CD-CG 4.39Å; K107-F123 HydrophobicContact CG-CB 4.08Å; K107-F123 HydrophobicContact CG-CD2 3.63Å; K107-F123 HydrophobicContact CG-CE2 4.18Å; K107-F123 HydrophobicContact CG-CG 3.84Å
108E98.3Very high96.7Very high86 Ų8662.5 Ų62.540%0.40229%0.292SS..Hα-helixtrans-63.9-38.2-179.4-68.3-53.1126.800112D104 E105 L111 S112D104-E108 WeakPolarHBondContact O-CG 3.42Å; D104-E108 PolarHBondContact O-N 2.73Å; E105-E108 PolarHBondContact O-N 3.22Å; E108-L111 PolarHBondContact O-N 3.16Å; E108-S112 WeakPolarHBondContact O-CB 3.38Å; E108-S112 PolarHBondContact O-N 2.81Å
109A98.6Very high96.4Very high12 Ų1262.5 Ų62.510%0.09930%0.299CS..Hα-helixtrans-58.9-50174.200000111.3A95 I100 E105 L106 K107 L111 S112 Y113A95-A109 HydrophobicContact CB-CB 4.41Å; I100-A109 HydrophobicContact CD1-CB 3.71Å; I100-A109 HydrophobicContact CG1-CB 4.3Å; E105-A109 WeakPolarHBondContact O-CB 3.46Å; E105-A109 PolarHBondContact O-N 3.07Å; L106-A109 PolarHBondContact O-N 3Å; K107-A109 VanDerWaalsContact C-N 3.33Å; K107-A109 PolarHBondContact O-N 3.08Å; A109-L111 VanDerWaalsContact C-N 3.34Å; A109-L111 PolarHBondContact O-N 2.92Å; A109-S112 WeakPolarHBondContact O-CB 3.5Å; A109-S112 PolarHBondContact O-N 2.91Å; A109-S112 PolarHBondContact O-OG 3.27Å; A109-Y113 WeakPolarHBondContact O-CD1 3.24Å; A109-Y113 WeakPolarHBondContact O-CE1 3.45Å
110I98.6Very high96.1Very high1 Ų163.4 Ų63.41%0.00530%0.3CS..Hα-helixtrans-65.1-38.8179.7-67.2164.7000111.7L106 K107 S112 Y113 N114 F123 F193 C194 L220L106-I110 HydrophobicContact CD1-CD1 3.82Å; L106-I110 HydrophobicContact CD1-CG1 4.22Å; L106-I110 HydrophobicContact CG-CD1 4.13Å; L106-I110 WeakPolarHBondContact O-CG1 3.4Å; L106-I110 PolarHBondContact O-N 3.41Å; K107-I110 PolarHBondContact O-N 2.71Å; I110-S112 VanDerWaalsContact C-N 3.34Å; I110-Y113 WeakPolarHBondContact O-CE2 3.28Å; I110-N114 WeakPolarHBondContact O-CB 3.04Å; I110-N114 PolarHBondContact O-N 2.97Å; I110-N114 PolarHBondContact O-ND2 3.26Å; I110-F123 HydrophobicContact CB-CE1 4.35Å; I110-F123 HydrophobicContact CB-CZ 3.96Å; I110-F123 HydrophobicContact CD1-CE1 3.57Å; I110-F123 HydrophobicContact CD1-CZ 4.02Å; I110-F123 HydrophobicContact CG2-CE1 4.44Å; I110-F123 HydrophobicContact CG2-CZ 3.75Å; I110-F193 HydrophobicContact CD1-CD1 4.19Å; I110-F193 HydrophobicContact CG1-CD1 4.19Å; I110-C194 HydrophobicContact CG2-CB 4.04Å; I110-L220 HydrophobicContact CD1-CD1 4.49Å
111L97.8Very high96Very high5 Ų563.5 Ų63.53%0.02630%0.299CS..Hα-helixtrans-71.8-24.5178.6-71.3177.6000113.3K107 E108 A109 Y113 N114 Y115 K118 W121 F123K107-L111 HydrophobicContact CG-CD1 3.81Å; K107-L111 HydrophobicContact CG-CG 4.46Å; K107-L111 WeakPolarHBondContact O-CB 3.47Å; K107-L111 VanDerWaalsContact O-CG 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.31Å; K107-L111 PolarHBondContact O-N 3.46Å; E108-L111 PolarHBondContact O-N 3.16Å; A109-L111 VanDerWaalsContact C-N 3.34Å; A109-L111 PolarHBondContact O-N 2.92Å; L111-Y113 PolarHBondContact O-N 3.18Å; L111-N114 CarbonylContact O-C 3.55Å; L111-N114 VanDerWaalsContact O-C 3.23Å; L111-N114 PolarHBondContact O-N 3.39Å; L111-Y115 VanDerWaalsContact O-CA 3.28Å; L111-Y115 WeakPolarHBondContact O-CA 3.48Å; L111-Y115 PolarHBondContact O-N 3.29Å; L111-K118 HydrophobicContact CD1-CB 4.39Å; L111-K118 HydrophobicContact CD1-CG 4.18Å; L111-K118 HydrophobicContact CD2-CB 4.39Å; L111-W121 HydrophobicContact CD2-CB 4.38Å; L111-W121 HydrophobicContact CD2-CE3 4.1Å; L111-F123 HydrophobicContact CD2-CE2 4.45Å; L111-F123 HydrophobicContact CG-CE2 4.41Å
112S96.5Very high95.8Very high52 Ų5260 Ų6036%0.36429%0.287SS..Hα-helixtrans-58.2-34.3-179.373.40000113.5Y75 A95 E108 A109 I110Y75-S112 PolarHBondContact OH-O 2.9Å; A95-S112 WeakPolarHBondContact CB-OG 3.4Å; E108-S112 WeakPolarHBondContact O-CB 3.38Å; E108-S112 PolarHBondContact O-N 2.81Å; A109-S112 WeakPolarHBondContact O-CB 3.5Å; A109-S112 PolarHBondContact O-N 2.91Å; A109-S112 PolarHBondContact O-OG 3.27Å; I110-S112 VanDerWaalsContact C-N 3.34Å
113Y96.2Very high95.7Very high0 Ų058.5 Ų58.50%028%0.276CS..THydrogen-bonded Turntrans-108.411.317453.7-99000113.2Y75 R88 I92 A95 A109 I110 L111 F193 T195Y75-Y113 WeakPolarHBondContact CE2-O 3.44Å; R88-Y113 PolarHBondContact NE-O 3.46Å; R88-Y113 VanDerWaalsContact NE-O 3.12Å; R88-Y113 PolarHBondContact NH2-O 2.93Å; I92-Y113 HydrophobicContact CB-CD1 4.34Å; I92-Y113 HydrophobicContact CD1-CD2 4.4Å; I92-Y113 HydrophobicContact CG1-CD1 3.84Å; I92-Y113 HydrophobicContact CG1-CD2 3.69Å; I92-Y113 HydrophobicContact CG1-CE1 4.2Å; I92-Y113 HydrophobicContact CG1-CE2 4.07Å; I92-Y113 HydrophobicContact CG1-CG 3.57Å; A95-Y113 HydrophobicContact CB-CD1 3.84Å; A95-Y113 HydrophobicContact CB-CE1 3.74Å; A109-Y113 WeakPolarHBondContact O-CD1 3.24Å; A109-Y113 WeakPolarHBondContact O-CE1 3.45Å; I110-Y113 WeakPolarHBondContact O-CE2 3.28Å; L111-Y113 PolarHBondContact O-N 3.18Å; Y113-F193 VanDerWaalsContact CE2-O 3.3Å; Y113-F193 WeakPolarHBondContact CE2-O 3.34Å; Y113-F193 PolarHBondContact OH-O 3.12Å; Y113-T195 HydrophobicContact CE2-CG2 4.01Å
114N95.8Very high95.6Very high5 Ų560.7 Ų60.73%0.02728%0.283CS..  trans-133.933.6176.1-76.9-69.2000111.6R88 I110 L111 R116 F117 W121 C194R88-N114 VanDerWaalsContact NH2-CG 3.3Å; R88-N114 PolarHBondContact NH2-OD1 3.3Å; I110-N114 WeakPolarHBondContact O-CB 3.04Å; I110-N114 PolarHBondContact O-N 2.97Å; I110-N114 PolarHBondContact O-ND2 3.26Å; L111-N114 CarbonylContact O-C 3.55Å; L111-N114 VanDerWaalsContact O-C 3.23Å; L111-N114 PolarHBondContact O-N 3.39Å; N114-R116 PolarHBondContact O-N 3.26Å; N114-F117 HydrophobicContact CB-CD2 4.14Å; N114-F117 PolarHBondContact O-N 3.16Å; N114-W121 HydrophobicContact CB-CE3 4.37Å; N114-W121 HydrophobicContact CB-CH2 4.25Å; N114-W121 HydrophobicContact CB-CZ3 3.61Å; N114-C194 PolarHBondContact ND2-O 3.13Å
115Y92.2Very high95.5Very high142 Ų14256.9 Ų56.956%0.55726%0.263SS*.G310 helixtrans-58.2-30.9-165.6-173.3-98.7000113.9Y75 L111 F117 K118Y75-Y115 WeakPolarHBondContact OH-CB 3.42Å; Y75-Y115 PolarHBondContact OH-N 2.76Å; Y75-Y115 VanDerWaalsContact OH-N 3.08Å; L111-Y115 VanDerWaalsContact O-CA 3.28Å; L111-Y115 WeakPolarHBondContact O-CA 3.48Å; L111-Y115 PolarHBondContact O-N 3.29Å; Y115-F117 PolarHBondContact O-N 2.78Å; Y115-K118 HydrophobicContact CD2-CD 3.99Å; Y115-K118 HydrophobicContact CE2-CD 3.49Å; Y115-K118 VanDerWaalsContact CE2-CD 3.49Å; Y115-K118 VanDerWaalsContact O-CB 3.26Å; Y115-K118 WeakPolarHBondContact O-CB 3.44Å; Y115-K118 PolarHBondContact O-N 2.8Å
116R92Very high95.5Very high204 Ų20453.1 Ų53.177%0.7725%0.245SC*.G310 helixtrans-51.6-26.9173.9-178.2176.6177.2-177.5-0.9113.5N114N114-R116 PolarHBondContact O-N 3.26Å
117F93.8Very high95.4Very high41 Ų4156.8 Ų56.818%0.1826%0.262CS..G310 helixtrans-100.53.7-176.7-55.3-75.6000114.1N114 Y115 S119 Y120 W121 N200N114-F117 HydrophobicContact CB-CD2 4.14Å; N114-F117 PolarHBondContact O-N 3.16Å; Y115-F117 PolarHBondContact O-N 2.78Å; F117-S119 PolarHBondContact O-N 3.12Å; F117-S119 VanDerWaalsContact O-N 3.12Å; F117-Y120 PolarHBondContact O-N 3.39Å; F117-W121 HydrophobicContact CB-CD2 3.38Å; F117-W121 VanDerWaalsContact CB-CE2 3.43Å; F117-W121 HydrophobicContact CB-CE3 3.7Å; F117-W121 HydrophobicContact CB-CG 3.86Å; F117-W121 HydrophobicContact CB-CH2 4.07Å; F117-W121 HydrophobicContact CB-CZ2 3.79Å; F117-W121 HydrophobicContact CB-CZ3 4.04Å; F117-W121 AromaticContact CD1-CE2 3.87Å; F117-W121 AromaticContact CD1-CZ2 3.78Å; F117-W121 HydrophobicContact CD1-CZ2 3.78Å; F117-W121 AromaticContact CD2-CH2 3.47Å; F117-W121 HydrophobicContact CD2-CH2 3.47Å; F117-W121 VanDerWaalsContact CD2-CH2 3.47Å; F117-W121 AromaticContact CD2-CZ2 3.57Å; F117-W121 HydrophobicContact CD2-CZ2 3.57Å; F117-W121 AromaticContact CD2-CZ3 3.98Å; F117-W121 HydrophobicContact CD2-CZ3 3.98Å; F117-W121 HydrophobicContact CE1-CZ2 4.23Å; F117-W121 AromaticContact CE2-CH2 3.99Å; F117-W121 HydrophobicContact CE2-CH2 3.99Å; F117-W121 HydrophobicContact CE2-CZ2 4.05Å; F117-W121 HydrophobicContact CG-CD2 4.03Å; F117-W121 AromaticContact CG-CE2 3.56Å; F117-W121 HydrophobicContact CG-CE3 4.32Å; F117-W121 AromaticContact CG-CH2 3.77Å; F117-W121 HydrophobicContact CG-CH2 3.77Å; F117-W121 AromaticContact CG-CZ2 3.42Å; F117-W121 HydrophobicContact CG-CZ2 3.42Å; F117-W121 VanDerWaalsContact CG-CZ2 3.42Å; F117-W121 HydrophobicContact CG-CZ3 4.21Å; F117-W121 HydrophobicContact CZ-CZ2 4.36Å; F117-W121 PolarHBondContact O-N 3.02Å; F117-N200 HydrophobicContact CE1-CB 4.04Å; F117-N200 HydrophobicContact CE2-CB 3.87Å; F117-N200 HydrophobicContact CZ-CB 3.46Å; F117-N200 VanDerWaalsContact CZ-CB 3.46Å
118K92.9Very high95.3Very high97 Ų9756.4 Ų56.442%0.42226%0.261SS..THydrogen-bonded Turntrans-54.5-32.9-176.4178.3166.5-175.4166.30114.1L111 Y115L111-K118 HydrophobicContact CD1-CB 4.39Å; L111-K118 HydrophobicContact CD1-CG 4.18Å; L111-K118 HydrophobicContact CD2-CB 4.39Å; Y115-K118 HydrophobicContact CD2-CD 3.99Å; Y115-K118 HydrophobicContact CE2-CD 3.49Å; Y115-K118 VanDerWaalsContact CE2-CD 3.49Å; Y115-K118 VanDerWaalsContact O-CB 3.26Å; Y115-K118 WeakPolarHBondContact O-CB 3.44Å; Y115-K118 PolarHBondContact O-N 2.8Å
119S90.8Very high95.3Very high100 Ų10052.3 Ų52.370%0.69924%0.242SC*.THydrogen-bonded Turntrans-81.1-14.3177.652.20000114.5F117F117-S119 PolarHBondContact O-N 3.12Å; F117-S119 VanDerWaalsContact O-N 3.12Å
120Y90.4Very high95.2Very high175 Ų17552.2 Ų52.269%0.68624%0.24SC*.THydrogen-bonded Turntrans-110.8-34.5-173.6-58.7-80.5000113.1F117 N122F117-Y120 PolarHBondContact O-N 3.39Å; Y120-N122 PolarHBondContact O-N 3.47Å
121W94.3Very high95.2Very high14 Ų1457.8 Ų57.85%0.05327%0.268CS..  trans-95.397.9-178.2-59.9-9.9000109.9L111 N114 F117 F123 C194 N200 S217L111-W121 HydrophobicContact CD2-CB 4.38Å; L111-W121 HydrophobicContact CD2-CE3 4.1Å; N114-W121 HydrophobicContact CB-CE3 4.37Å; N114-W121 HydrophobicContact CB-CH2 4.25Å; N114-W121 HydrophobicContact CB-CZ3 3.61Å; F117-W121 HydrophobicContact CB-CD2 3.38Å; F117-W121 VanDerWaalsContact CB-CE2 3.43Å; F117-W121 HydrophobicContact CB-CE3 3.7Å; F117-W121 HydrophobicContact CB-CG 3.86Å; F117-W121 HydrophobicContact CB-CH2 4.07Å; F117-W121 HydrophobicContact CB-CZ2 3.79Å; F117-W121 HydrophobicContact CB-CZ3 4.04Å; F117-W121 AromaticContact CD1-CE2 3.87Å; F117-W121 AromaticContact CD1-CZ2 3.78Å; F117-W121 HydrophobicContact CD1-CZ2 3.78Å; F117-W121 AromaticContact CD2-CH2 3.47Å; F117-W121 HydrophobicContact CD2-CH2 3.47Å; F117-W121 VanDerWaalsContact CD2-CH2 3.47Å; F117-W121 AromaticContact CD2-CZ2 3.57Å; F117-W121 HydrophobicContact CD2-CZ2 3.57Å; F117-W121 AromaticContact CD2-CZ3 3.98Å; F117-W121 HydrophobicContact CD2-CZ3 3.98Å; F117-W121 HydrophobicContact CE1-CZ2 4.23Å; F117-W121 AromaticContact CE2-CH2 3.99Å; F117-W121 HydrophobicContact CE2-CH2 3.99Å; F117-W121 HydrophobicContact CE2-CZ2 4.05Å; F117-W121 HydrophobicContact CG-CD2 4.03Å; F117-W121 AromaticContact CG-CE2 3.56Å; F117-W121 HydrophobicContact CG-CE3 4.32Å; F117-W121 AromaticContact CG-CH2 3.77Å; F117-W121 HydrophobicContact CG-CH2 3.77Å; F117-W121 AromaticContact CG-CZ2 3.42Å; F117-W121 HydrophobicContact CG-CZ2 3.42Å; F117-W121 VanDerWaalsContact CG-CZ2 3.42Å; F117-W121 HydrophobicContact CG-CZ3 4.21Å; F117-W121 HydrophobicContact CZ-CZ2 4.36Å; F117-W121 PolarHBondContact O-N 3.02Å; W121-F123 HydrophobicContact CB-CD2 4.1Å; W121-F123 HydrophobicContact CB-CE2 3.68Å; W121-F123 HydrophobicContact CE3-CE2 4.43Å; W121-F123 WeakPolarHBondContact O-CD2 3.5Å; W121-C194 HydrophobicContact CH2-CB 4.32Å; W121-C194 HydrophobicContact CZ3-CB 4.14Å; W121-N200 HydrophobicContact CH2-CB 4.29Å; W121-N200 WeakPolarHBondContact CH2-ND2 3.38Å; W121-N200 HydrophobicContact CZ2-CB 3.94Å; W121-S217 VanDerWaalsContact CD2-CB 3.48Å; W121-S217 WeakPolarHBondContact CZ2-OG 3.23Å
122N94.2Very high95.1Very high60 Ų6061.9 Ų61.932%0.32129%0.289SS..  trans-91.5-11.8-176.163.320.9000114.3Y120 K124 S221 A222Y120-N122 PolarHBondContact O-N 3.47Å; N122-K124 PolarHBondContact O-N 3.47Å; N122-K124 VanDerWaalsContact O-N 3.09Å; N122-K124 WeakPolarHBondContact OD1-CB 3.06Å; N122-K124 PolarHBondContact OD1-N 2.94Å; N122-S221 PolarHBondContact N-OG 2.91Å; N122-S221 WeakPolarHBondContact OD1-CB 3.46Å; N122-A222 PolarHBondContact ND2-O 2.85Å; N122-A222 PolarHBondContact OD1-N 3.07Å; N122-A222 PolarHBondContact OD1-O 2.92Å
123F96.5Very high95.1Very high4 Ų464.5 Ų64.52%0.01830%0.299CS..  trans58.221.6179.6-70.6-110.9000114.5K107 I110 L111 W121 T125 L126 E127 L220 S221K107-F123 HydrophobicContact CB-CB 4.13Å; K107-F123 HydrophobicContact CB-CD1 4.22Å; K107-F123 HydrophobicContact CB-CD2 4.18Å; K107-F123 HydrophobicContact CB-CG 3.92Å; K107-F123 HydrophobicContact CD-CB 4.12Å; K107-F123 HydrophobicContact CD-CD2 4.26Å; K107-F123 HydrophobicContact CD-CG 4.39Å; K107-F123 HydrophobicContact CG-CB 4.08Å; K107-F123 HydrophobicContact CG-CD2 3.63Å; K107-F123 HydrophobicContact CG-CE2 4.18Å; K107-F123 HydrophobicContact CG-CG 3.84Å; I110-F123 HydrophobicContact CB-CE1 4.35Å; I110-F123 HydrophobicContact CB-CZ 3.96Å; I110-F123 HydrophobicContact CD1-CE1 3.57Å; I110-F123 HydrophobicContact CD1-CZ 4.02Å; I110-F123 HydrophobicContact CG2-CE1 4.44Å; I110-F123 HydrophobicContact CG2-CZ 3.75Å; L111-F123 HydrophobicContact CD2-CE2 4.45Å; L111-F123 HydrophobicContact CG-CE2 4.41Å; W121-F123 HydrophobicContact CB-CD2 4.1Å; W121-F123 HydrophobicContact CB-CE2 3.68Å; W121-F123 HydrophobicContact CE3-CE2 4.43Å; W121-F123 WeakPolarHBondContact O-CD2 3.5Å; F123-T125 PolarHBondContact O-N 2.9Å; F123-L126 HydrophobicContact CD1-CD2 4.17Å; F123-L126 WeakPolarHBondContact O-CB 3.48Å; F123-L126 PolarHBondContact O-N 2.95Å; F123-E127 PolarHBondContact O-N 3.01Å; F123-L220 CarbonylContact C-O 3.6Å; F123-L220 WeakPolarHBondContact CA-O 3.3Å; F123-L220 HydrophobicContact CD1-CB 3.91Å; F123-L220 HydrophobicContact CD1-CD1 4.23Å; F123-L220 HydrophobicContact CE1-CB 4.09Å; F123-L220 HydrophobicContact CE1-CD1 3.7Å; F123-L220 HydrophobicContact CE1-CG 4.47Å; F123-L220 HydrophobicContact CZ-CD1 4.49Å; F123-S221 PolarHBondContact N-OG 3.04Å
124K95.2Very high95.2Very high64 Ų6467 Ų6728%0.27831%0.312SS..Hα-helixtrans-60.2-31.5-176-176.9173.6-179179.30113.2N122 Q128 L220 A222N122-K124 PolarHBondContact O-N 3.47Å; N122-K124 VanDerWaalsContact O-N 3.09Å; N122-K124 WeakPolarHBondContact OD1-CB 3.06Å; N122-K124 PolarHBondContact OD1-N 2.94Å; K124-Q128 HydrophobicContact CG-CG 4.14Å; K124-Q128 WeakPolarHBondContact O-CB 3.1Å; K124-Q128 WeakPolarHBondContact O-CG 3.39Å; K124-Q128 PolarHBondContact O-N 3.36Å; K124-L220 PolarHBondContact N-O 3.08Å; K124-A222 HydrophobicContact CB-CB 4.18Å; K124-A222 HydrophobicContact CD-CB 4.39Å; K124-A222 HydrophobicContact CG-CB 4.4Å
125T96.9Very high95.3Very high0 Ų067.1 Ų67.10%031%0.313CS..Hα-helixtrans-63.4-48175.3-49.80000110.7F123 Q128 L129 L219 L220 S221 L234 K237 I238 L241F123-T125 PolarHBondContact O-N 2.9Å; T125-Q128 PolarHBondContact O-N 2.91Å; T125-L129 WeakPolarHBondContact O-CB 3.34Å; T125-L129 PolarHBondContact O-N 3.38Å; T125-L219 VanDerWaalsContact CB-O 3.22Å; T125-L219 WeakPolarHBondContact CB-O 3.48Å; T125-L219 WeakPolarHBondContact CG2-O 3.12Å; T125-L219 PolarHBondContact OG1-O 2.82Å; T125-L220 WeakPolarHBondContact CB-O 3.21Å; T125-L220 PolarHBondContact N-O 3.02Å; T125-L220 PolarHBondContact OG1-O 2.99Å; T125-S221 PolarHBondContact OG1-O 3.21Å; T125-L234 HydrophobicContact CG2-CD1 4.4Å; T125-K237 HydrophobicContact CG2-CB 3.55Å; T125-I238 HydrophobicContact CG2-CG1 3.9Å; T125-L241 HydrophobicContact CG2-CD2 4.23Å
126L98Very high95.5Very high3 Ų360.9 Ų60.92%0.01629%0.29CS..Hα-helixtrans-63.4-44.8179174.166.5000111.1L106 F123 Q128 L129 C130 L220 L241L106-L126 HydrophobicContact CB-CD2 4.39Å; L106-L126 HydrophobicContact CD2-CD2 3.75Å; L106-L126 HydrophobicContact CG-CD2 4.14Å; F123-L126 HydrophobicContact CD1-CD2 4.17Å; F123-L126 WeakPolarHBondContact O-CB 3.48Å; F123-L126 PolarHBondContact O-N 2.95Å; L126-Q128 VanDerWaalsContact C-N 3.34Å; L126-Q128 PolarHBondContact O-N 2.92Å; L126-L129 WeakPolarHBondContact O-CB 3.28Å; L126-L129 PolarHBondContact O-N 2.97Å; L126-C130 PolarHBondContact O-N 2.99Å; L126-C130 PolarHBondContact O-SG 3.2Å; L126-L220 HydrophobicContact CB-CD2 4.29Å; L126-L220 PolarHBondContact N-O 3.01Å; L126-L241 HydrophobicContact CD1-CD2 4.43Å
127E96.8Very high95.8Very high83 Ų8353.6 Ų53.639%0.38827%0.266SS..Hα-helixtrans-57.3-47.6176.7-173.8-166.3157.600111.2F123 C130 M131F123-E127 PolarHBondContact O-N 3.01Å; E127-C130 PolarHBondContact O-N 3.32Å; E127-M131 WeakPolarHBondContact O-CB 3.29Å; E127-M131 PolarHBondContact O-N 3.09Å
128Q95.9Very high95.8Very high36 Ų3654.6 Ų54.617%0.16829%0.288CS..Hα-helixtrans-68.6-37.7-179.6-68.9-71-55.200112.4K124 T125 L126 C130 M131 L132 L234 I238K124-Q128 HydrophobicContact CG-CG 4.14Å; K124-Q128 WeakPolarHBondContact O-CB 3.1Å; K124-Q128 WeakPolarHBondContact O-CG 3.39Å; K124-Q128 PolarHBondContact O-N 3.36Å; T125-Q128 PolarHBondContact O-N 2.91Å; L126-Q128 VanDerWaalsContact C-N 3.34Å; L126-Q128 PolarHBondContact O-N 2.92Å; Q128-C130 VanDerWaalsContact C-N 3.28Å; Q128-C130 PolarHBondContact O-N 3.07Å; Q128-M131 PolarHBondContact O-N 3.47Å; Q128-L132 VanDerWaalsContact O-CB 3.29Å; Q128-L132 WeakPolarHBondContact O-CB 3.4Å; Q128-L132 VanDerWaalsContact O-CG 3.26Å; Q128-L132 WeakPolarHBondContact O-CG 3.36Å; Q128-L132 PolarHBondContact O-N 3.45Å; Q128-L234 HydrophobicContact CB-CD1 4.2Å; Q128-L234 HydrophobicContact CB-CD2 4.2Å; Q128-L234 HydrophobicContact CG-CD1 4.28Å; Q128-L234 HydrophobicContact CG-CD2 3.88Å; Q128-I238 HydrophobicContact CB-CD1 3.94Å
129L97.5Very high96Very high0 Ų050.5 Ų50.50%027%0.273CS..Hα-helixtrans-56.3-43.9171.7179.976.3000111.3T125 L126 N133 L134 I135 I238 L241 R242 L245T125-L129 WeakPolarHBondContact O-CB 3.34Å; T125-L129 PolarHBondContact O-N 3.38Å; L126-L129 WeakPolarHBondContact O-CB 3.28Å; L126-L129 PolarHBondContact O-N 2.97Å; L129-N133 PolarHBondContact O-N 3.05Å; L129-L134 HydrophobicContact CD1-CB 3.67Å; L129-L134 PolarHBondContact O-N 3.46Å; L129-I135 HydrophobicContact CD2-CG1 3.79Å; L129-I135 HydrophobicContact CG-CG1 3.8Å; L129-I238 HydrophobicContact CB-CG1 4.43Å; L129-I238 HydrophobicContact CD1-CG2 3.75Å; L129-L241 HydrophobicContact CD2-CD2 3.75Å; L129-L241 HydrophobicContact CD2-CG 3.9Å; L129-R242 HydrophobicContact CD1-CG 3.54Å; L129-L245 HydrophobicContact CD2-CD1 3.6Å
130C98.1Very high96.3Very high10 Ų1047.7 Ų47.77%0.06825%0.25CS..Hα-helixtrans-70-47.1178.3-60.60000111.7L126 E127 Q128 L132 N133 N140L126-C130 PolarHBondContact O-N 2.99Å; L126-C130 PolarHBondContact O-SG 3.2Å; E127-C130 PolarHBondContact O-N 3.32Å; Q128-C130 VanDerWaalsContact C-N 3.28Å; Q128-C130 PolarHBondContact O-N 3.07Å; C130-L132 VanDerWaalsContact C-N 3.32Å; C130-L132 PolarHBondContact O-N 3.02Å; C130-N133 PolarHBondContact O-N 3.3Å; C130-N140 WeakPolarHBondContact CA-OD1 3.48Å; C130-N140 PolarHBondContact O-ND2 3.15Å
131M97Very high96.6Very high119 Ų11946.3 Ų46.359%0.58626%0.255SS*.Hα-helixtrans-62.2-38.7-178-173.5-169.674.200112.1E127 Q128 N133E127-M131 WeakPolarHBondContact O-CB 3.29Å; E127-M131 PolarHBondContact O-N 3.09Å; Q128-M131 PolarHBondContact O-N 3.47Å; M131-N133 PolarHBondContact O-N 3.47Å
132L96.6Very high96.8Very high91 Ų9147.5 Ų47.548%0.47626%0.262SS..THydrogen-bonded Turntrans-81-0176.4-62.8174.5000113Q128 C130 L134 I238Q128-L132 VanDerWaalsContact O-CB 3.29Å; Q128-L132 WeakPolarHBondContact O-CB 3.4Å; Q128-L132 VanDerWaalsContact O-CG 3.26Å; Q128-L132 WeakPolarHBondContact O-CG 3.36Å; Q128-L132 PolarHBondContact O-N 3.45Å; C130-L132 VanDerWaalsContact C-N 3.32Å; C130-L132 PolarHBondContact O-N 3.02Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 HydrophobicContact CB-CD1 3.76Å; L132-L134 HydrophobicContact CB-CG 3.79Å; L132-L134 HydrophobicContact CD1-CD1 3.99Å; L132-L134 PolarHBondContact O-N 3.19Å; L132-I238 HydrophobicContact CD1-CD1 4.21Å
133N96.3Very high97Very high107 Ų10744.9 Ų44.957%0.57225%0.248SC*.THydrogen-bonded Turntrans52.943.8-177-165.240.3000113L129 C130 M131L129-N133 PolarHBondContact O-N 3.05Å; C130-N133 PolarHBondContact O-N 3.3Å; M131-N133 PolarHBondContact O-N 3.47Å
134L97.7Very high97.1Very high51 Ų5145.9 Ų45.927%0.26725%0.252SS..  trans-101.41.7-175.9-71.1177.8000113.5L129 L132 I238 R242L129-L134 HydrophobicContact CD1-CB 3.67Å; L129-L134 PolarHBondContact O-N 3.46Å; L132-L134 VanDerWaalsContact C-N 3.28Å; L132-L134 HydrophobicContact CB-CD1 3.76Å; L132-L134 HydrophobicContact CB-CG 3.79Å; L132-L134 HydrophobicContact CD1-CD1 3.99Å; L132-L134 PolarHBondContact O-N 3.19Å; L134-I238 HydrophobicContact CD1-CG2 3.85Å; L134-R242 WeakPolarHBondContact O-CD 3.21Å; L134-R242 WeakPolarHBondContact O-CG 3.48Å; L134-R242 PolarHBondContact O-NE 2.93Å
135I98.3Very high97.1Very high9 Ų944.7 Ų44.75%0.04626%0.259CS..  trans-58.1126.7172.1-67-165.6000109.2L129 G139 N140 F143 F144 L245L129-I135 HydrophobicContact CD2-CG1 3.79Å; L129-I135 HydrophobicContact CG-CG1 3.8Å; I135-G139 WeakPolarHBondContact CG2-O 3.34Å; I135-G139 WeakPolarHBondContact O-CA 3.44Å; I135-G139 PolarHBondContact O-N 2.75Å; I135-N140 WeakPolarHBondContact CD1-OD1 3.26Å; I135-N140 WeakPolarHBondContact CG1-OD1 3.44Å; I135-F143 HydrophobicContact CD1-CB 4.02Å; I135-F143 HydrophobicContact CD1-CD1 3.63Å; I135-F143 HydrophobicContact CD1-CE1 4.32Å; I135-F143 HydrophobicContact CD1-CG 3.93Å; I135-F143 HydrophobicContact CG2-CB 3.59Å; I135-F143 HydrophobicContact CG2-CG 4.1Å; I135-F144 HydrophobicContact CD1-CE2 4.35Å; I135-L245 HydrophobicContact CG1-CD1 4.39Å; I135-L245 HydrophobicContact CG2-CD1 4.43Å
136P97.3Very high97.1Very high11 Ų1149.4 Ų49.47%0.07128%0.284CS..THydrogen-bonded Turntrans-70.4171.2-18032.7-37.4000111.7G138 L245 H246 W369P136-G138 PolarHBondContact O-N 2.75Å; P136-L245 HydrophobicContact CG-CB 4.06Å; P136-H246 HydrophobicContact CB-CB 4.26Å; P136-H246 HydrophobicContact CG-CB 3.95Å; P136-W369 HydrophobicContact CB-CH2 3.93Å; P136-W369 HydrophobicContact CB-CZ2 4.14Å; P136-W369 HydrophobicContact CB-CZ3 4.35Å
137D97.2Very high97.2Very high50 Ų5049.8 Ų49.827%0.26729%0.286SS..THydrogen-bonded Turntrans57.448.7168.9-46.7-62.9000114.5N142 H246 H249D137-N142 PolarHBondContact O-ND2 2.79Å; D137-H246 VanDerWaalsContact CG-ND1 3.28Å; D137-H246 IonicContact OD1-CE1 3.26Å; D137-H246 PolarHBondContact OD1-CE1 3.14Å; D137-H246 IonicContact OD1-ND1 3.85Å; D137-H246 PolarHBondContact OD1-ND1 3.06Å; D137-H246 WeakPolarHBondContact OD2-CA 3.22Å; D137-H246 IonicContact OD2-CE1 3.39Å; D137-H246 IonicContact OD2-CG 2.8Å; D137-H246 IonicContact OD2-ND1 3.02Å; D137-H246 PolarHBondContact OD2-ND1 3.03Å; D137-H249 HydrophobicContact CB-CB 4.08Å; D137-H249 VanDerWaalsContact CB-CD2 3.46Å; D137-H249 WeakPolarHBondContact CB-CD2 3.33Å; D137-H249 VanDerWaalsContact CB-CG 3.43Å; D137-H249 VanDerWaalsContact CG-CG 3.48Å; D137-H249 IonicContact OD1-CD2 3.52Å; D137-H249 WeakPolarHBondContact OD2-CB 3.4Å; D137-H249 IonicContact OD2-CD2 3.63Å; D137-H249 IonicContact OD2-CG 3.54Å
138G93.7Very high97.3Very high63 Ų6346 Ų4665%0.64927%0.269SS*.THydrogen-bonded Turntrans97.611.8175.600000115.4P136P136-G138 PolarHBondContact O-N 2.75Å
139G97Very high97.4Very high10 Ų1047.9 Ų47.910%0.10329%0.286CS..Hα-helixtrans70.9-161.2167.400000114.4I135 D141 N142 F143I135-G139 WeakPolarHBondContact CG2-O 3.34Å; I135-G139 WeakPolarHBondContact O-CA 3.44Å; I135-G139 PolarHBondContact O-N 2.75Å; G139-D141 VanDerWaalsContact C-N 3.32Å; G139-D141 PolarHBondContact O-N 2.95Å; G139-N142 PolarHBondContact O-N 3.18Å; G139-F143 WeakPolarHBondContact O-CB 3.5Å; G139-F143 PolarHBondContact O-N 3.03Å
140N97.6Very high97.4Very high41 Ų4148.6 Ų48.622%0.21929%0.293CS..Hα-helixtrans-57.5-43.4-175-64.7-20.6000112.6C130 I135 F143 F144C130-N140 WeakPolarHBondContact CA-OD1 3.48Å; C130-N140 PolarHBondContact O-ND2 3.15Å; I135-N140 WeakPolarHBondContact CD1-OD1 3.26Å; I135-N140 WeakPolarHBondContact CG1-OD1 3.44Å; N140-F143 PolarHBondContact O-N 3.47Å; N140-F144 HydrophobicContact CB-CD2 4.28Å; N140-F144 HydrophobicContact CB-CE2 4.44Å; N140-F144 VanDerWaalsContact O-CD2 3.29Å; N140-F144 WeakPolarHBondContact O-CD2 3.48Å; N140-F144 PolarHBondContact O-N 2.56Å
141D97.2Very high97.5Very high147 Ų14748.1 Ų48.179%0.78629%0.29SS*.Hα-helixtrans-63.2-46.4-176.4-69.2-15.1000111.6G139 G145G139-D141 VanDerWaalsContact C-N 3.32Å; G139-D141 PolarHBondContact O-N 2.95Å; D141-G145 VanDerWaalsContact O-CA 3.28Å; D141-G145 WeakPolarHBondContact O-CA 3.48Å; D141-G145 PolarHBondContact O-N 3.4Å
142N97.8Very high97.6Very high38 Ų3842.8 Ų42.820%0.20326%0.264CS..Hα-helixtrans-69.3-37177-170.851000111.8D137 G139 N146 T147D137-N142 PolarHBondContact O-ND2 2.79Å; G139-N142 PolarHBondContact O-N 3.18Å; N142-N146 WeakPolarHBondContact O-CA 3.39Å; N142-N146 WeakPolarHBondContact O-CB 3.26Å; N142-N146 PolarHBondContact O-N 2.82Å; N142-N146 PolarHBondContact OD1-ND2 3.27Å; N142-T147 PolarHBondContact O-N 2.77Å
143F98.7Very high97.7Very high6 Ų641.3 Ų41.33%0.02626%0.262CS..Iπ-helixtrans-66.4-56-180175.6-105.8000112.9L106 I135 G139 N140 T147 L148 I151 L245L106-F143 HydrophobicContact CD2-CE1 4.43Å; L106-F143 HydrophobicContact CD2-CZ 4.44Å; I135-F143 HydrophobicContact CD1-CB 4.02Å; I135-F143 HydrophobicContact CD1-CD1 3.63Å; I135-F143 HydrophobicContact CD1-CE1 4.32Å; I135-F143 HydrophobicContact CD1-CG 3.93Å; I135-F143 HydrophobicContact CG2-CB 3.59Å; I135-F143 HydrophobicContact CG2-CG 4.1Å; G139-F143 WeakPolarHBondContact O-CB 3.5Å; G139-F143 PolarHBondContact O-N 3.03Å; N140-F143 PolarHBondContact O-N 3.47Å; F143-T147 HydrophobicContact CD2-CG2 4.23Å; F143-T147 PolarHBondContact O-N 3.45Å; F143-L148 HydrophobicContact CE1-CB 4.38Å; F143-L148 HydrophobicContact CE1-CD1 4.5Å; F143-L148 HydrophobicContact CE1-CD2 4.34Å; F143-L148 HydrophobicContact CE2-CB 4.25Å; F143-L148 HydrophobicContact CE2-CD1 4.46Å; F143-L148 HydrophobicContact CZ-CB 4.17Å; F143-L148 HydrophobicContact CZ-CD1 3.92Å; F143-L148 HydrophobicContact CZ-CG 4.44Å; F143-L148 WeakPolarHBondContact O-CB 3.13Å; F143-L148 PolarHBondContact O-N 3.49Å; F143-I151 HydrophobicContact CE2-CD1 4.05Å; F143-L245 HydrophobicContact CD2-CD1 4.41Å; F143-L245 HydrophobicContact CE2-CD1 4.17Å; F143-L245 HydrophobicContact CE2-CD2 3.75Å; F143-L245 HydrophobicContact CE2-CG 4.49Å; F143-L245 HydrophobicContact CZ-CD1 4.42Å; F143-L245 HydrophobicContact CZ-CD2 4.13Å
144F98.4Very high97.8Very high24 Ų2436.3 Ų36.311%0.10524%0.235CC..Iπ-helixtrans-75.1-25.7-180-66.4-70.5000112.8S102 I135 N140 L148S102-F144 VanDerWaalsContact C-CZ 3.43Å; S102-F144 WeakPolarHBondContact O-CE1 3.44Å; I135-F144 HydrophobicContact CD1-CE2 4.35Å; N140-F144 HydrophobicContact CB-CD2 4.28Å; N140-F144 HydrophobicContact CB-CE2 4.44Å; N140-F144 VanDerWaalsContact O-CD2 3.29Å; N140-F144 WeakPolarHBondContact O-CD2 3.48Å; N140-F144 PolarHBondContact O-N 2.56Å; F144-L148 HydrophobicContact CD1-CD2 3.71Å; F144-L148 HydrophobicContact CE1-CD2 4.07Å
145G96.2Very high97.9Very high40 Ų4033.9 Ų33.941%0.41222%0.222SC..Iπ-helixtrans-76.4-41.6177.200000113.6D141D141-G145 VanDerWaalsContact O-CA 3.28Å; D141-G145 WeakPolarHBondContact O-CA 3.48Å; D141-G145 PolarHBondContact O-N 3.4Å
146N96.6Very high97.9Very high99 Ų9934.3 Ų34.353%0.52922%0.224SC..Iπ-helixtrans-127.2-66-169-58.4-39.1000112.1N142 L148 S149 G150N142-N146 WeakPolarHBondContact O-CA 3.39Å; N142-N146 WeakPolarHBondContact O-CB 3.26Å; N142-N146 PolarHBondContact O-N 2.82Å; N142-N146 PolarHBondContact OD1-ND2 3.27Å; N146-L148 PolarHBondContact O-N 2.79Å; N146-S149 PolarHBondContact O-N 2.95Å; N146-S149 PolarHBondContact O-OG 3.03Å; N146-G150 PolarHBondContact O-N 3.25Å
147T98.5Very high98Very high11 Ų1136 Ų367%0.06723%0.233CC..Iπ-helixtrans-58.4-47.4-167-54.80000112.4N142 F143 S149 G150 I151 H249 L252N142-T147 PolarHBondContact O-N 2.77Å; F143-T147 HydrophobicContact CD2-CG2 4.23Å; F143-T147 PolarHBondContact O-N 3.45Å; T147-S149 VanDerWaalsContact C-N 3.29Å; T147-S149 PolarHBondContact O-N 3.13Å; T147-G150 WeakPolarHBondContact O-CA 3.32Å; T147-G150 PolarHBondContact O-N 3.35Å; T147-I151 HydrophobicContact CG2-CD1 4.19Å; T147-I151 HydrophobicContact CG2-CG1 4.42Å; T147-I151 WeakPolarHBondContact O-CG1 3.29Å; T147-I151 PolarHBondContact O-N 3.3Å; T147-H249 HydrophobicContact CG2-CB 4.27Å; T147-L252 HydrophobicContact CG2-CD1 4Å; T147-L252 VanDerWaalsContact O-CD1 3.31Å; T147-L252 WeakPolarHBondContact O-CD1 3.5Å
148L98.8Very high98Very high4 Ų433.7 Ų33.72%0.02122%0.22CC..Hα-helixtrans-59.4-38.7-177.2-179.360.5000112.4I100 L106 F143 F144 N146 G150 I151 C152 F193I100-L148 HydrophobicContact CB-CD2 3.85Å; I100-L148 HydrophobicContact CG2-CD2 3.65Å; L106-L148 HydrophobicContact CD1-CD1 4.3Å; L106-L148 HydrophobicContact CD2-CD1 4.15Å; L106-L148 HydrophobicContact CD2-CD2 4.31Å; F143-L148 HydrophobicContact CE1-CB 4.38Å; F143-L148 HydrophobicContact CE1-CD1 4.5Å; F143-L148 HydrophobicContact CE1-CD2 4.34Å; F143-L148 HydrophobicContact CE2-CB 4.25Å; F143-L148 HydrophobicContact CE2-CD1 4.46Å; F143-L148 HydrophobicContact CZ-CB 4.17Å; F143-L148 HydrophobicContact CZ-CD1 3.92Å; F143-L148 HydrophobicContact CZ-CG 4.44Å; F143-L148 WeakPolarHBondContact O-CB 3.13Å; F143-L148 PolarHBondContact O-N 3.49Å; F144-L148 HydrophobicContact CD1-CD2 3.71Å; F144-L148 HydrophobicContact CE1-CD2 4.07Å; N146-L148 PolarHBondContact O-N 2.79Å; L148-G150 VanDerWaalsContact C-N 3.28Å; L148-G150 PolarHBondContact O-N 2.91Å; L148-I151 PolarHBondContact O-N 3.26Å; L148-I151 VanDerWaalsContact O-N 3.13Å; L148-C152 PolarHBondContact O-N 3.13Å; L148-C152 PolarHBondContact O-SG 3.29Å; L148-C152 VanDerWaalsContact O-SG 3.42Å; L148-F193 HydrophobicContact CD1-CE1 3.99Å; L148-F193 HydrophobicContact CD1-CZ 3.99Å
149S98.4Very high98.3Very high75 Ų7532.2 Ų32.252%0.52420%0.2SC..Hα-helixtrans-63.3-36.5176.575.50000112.1N146 T147 C152 S153N146-S149 PolarHBondContact O-N 2.95Å; N146-S149 PolarHBondContact O-OG 3.03Å; T147-S149 VanDerWaalsContact C-N 3.29Å; T147-S149 PolarHBondContact O-N 3.13Å; S149-C152 WeakPolarHBondContact O-CB 3.13Å; S149-C152 PolarHBondContact O-N 2.97Å; S149-S153 PolarHBondContact O-N 3.01Å
150G98.8Very high98.3Very high15 Ų1536.6 Ų36.616%0.15522%0.22CC..Hα-helixtrans-65.7-40.2172.200000112.3N146 T147 L148 S153 L154N146-G150 PolarHBondContact O-N 3.25Å; T147-G150 WeakPolarHBondContact O-CA 3.32Å; T147-G150 PolarHBondContact O-N 3.35Å; L148-G150 VanDerWaalsContact C-N 3.28Å; L148-G150 PolarHBondContact O-N 2.91Å; G150-S153 WeakPolarHBondContact O-CB 3.1Å; G150-S153 PolarHBondContact O-N 3.35Å; G150-L154 WeakPolarHBondContact O-CG 3.13Å; G150-L154 PolarHBondContact O-N 3.01Å
151I98.9Very high98.4Very high0 Ų036.1 Ų36.10%022%0.215CC..Hα-helixtrans-65.4-42.9175.6-53172.6000110.5F143 T147 L148 S153 L154 A155 A189 L192 F193 F248 L252F143-I151 HydrophobicContact CE2-CD1 4.05Å; T147-I151 HydrophobicContact CG2-CD1 4.19Å; T147-I151 HydrophobicContact CG2-CG1 4.42Å; T147-I151 WeakPolarHBondContact O-CG1 3.29Å; T147-I151 PolarHBondContact O-N 3.3Å; L148-I151 PolarHBondContact O-N 3.26Å; L148-I151 VanDerWaalsContact O-N 3.13Å; I151-S153 VanDerWaalsContact C-N 3.29Å; I151-S153 PolarHBondContact O-N 3.38Å; I151-L154 WeakPolarHBondContact O-CB 3.41Å; I151-L154 PolarHBondContact O-N 3.02Å; I151-A155 PolarHBondContact O-N 2.65Å; I151-A189 HydrophobicContact CG2-CB 3.71Å; I151-L192 HydrophobicContact CD1-CD2 4.14Å; I151-L192 HydrophobicContact CG2-CD2 3.89Å; I151-F193 HydrophobicContact CB-CE2 4.31Å; I151-F193 HydrophobicContact CB-CZ 4.15Å; I151-F193 HydrophobicContact CG2-CE2 3.67Å; I151-F193 HydrophobicContact CG2-CZ 3.82Å; I151-F248 HydrophobicContact CD1-CB 3.56Å; I151-F248 HydrophobicContact CD1-CD1 4.33Å; I151-F248 HydrophobicContact CD1-CD2 3.87Å; I151-F248 HydrophobicContact CD1-CG 3.66Å; I151-F248 HydrophobicContact CG1-CB 3.71Å; I151-F248 HydrophobicContact CG1-CD1 3.95Å; I151-F248 HydrophobicContact CG1-CD2 4.39Å; I151-F248 HydrophobicContact CG1-CG 3.76Å; I151-F248 HydrophobicContact CG2-CD1 4.07Å; I151-F248 HydrophobicContact CG2-CE1 4.06Å; I151-F248 HydrophobicContact CG2-CG 4.34Å; I151-F248 HydrophobicContact CG2-CZ 4.31Å; I151-L252 HydrophobicContact CG1-CD1 3.89Å
152C98.9Very high98.5Very high7 Ų729.1 Ų29.15%0.04718%0.178CC..Hα-helixtrans-56.2-45171.9-700000111.1L96 L148 S149 A155 L156 F193L96-C152 HydrophobicContact CB-CB 4.3Å; L96-C152 WeakPolarHBondContact O-CB 3.15Å; L148-C152 PolarHBondContact O-N 3.13Å; L148-C152 PolarHBondContact O-SG 3.29Å; L148-C152 VanDerWaalsContact O-SG 3.42Å; S149-C152 WeakPolarHBondContact O-CB 3.13Å; S149-C152 PolarHBondContact O-N 2.97Å; C152-A155 PolarHBondContact O-N 3.49Å; C152-L156 WeakPolarHBondContact O-CB 3.3Å; C152-L156 WeakPolarHBondContact O-CG 3.15Å; C152-L156 PolarHBondContact O-N 3.12Å; C152-F193 HydrophobicContact CB-CZ 4.45Å; C152-F193 VanDerWaalsContact SG-CZ 3.54Å
153S98.8Very high98.5Very high60 Ų6027.4 Ų27.442%0.4217%0.169SC..Hα-helixtrans-61.8-44.9176.3-172.70000112.3S149 G150 I151 A155 L156 N157S149-S153 PolarHBondContact O-N 3.01Å; G150-S153 WeakPolarHBondContact O-CB 3.1Å; G150-S153 PolarHBondContact O-N 3.35Å; I151-S153 VanDerWaalsContact C-N 3.29Å; I151-S153 PolarHBondContact O-N 3.38Å; S153-A155 VanDerWaalsContact C-N 3.29Å; S153-A155 PolarHBondContact O-N 3.34Å; S153-L156 PolarHBondContact O-N 3.01Å; S153-N157 VanDerWaalsContact O-CB 3.32Å; S153-N157 WeakPolarHBondContact O-CB 3.37Å; S153-N157 PolarHBondContact O-N 3.21Å; S153-N157 PolarHBondContact O-ND2 3.32Å; S153-N157 PolarHBondContact OG-ND2 3.47Å
154L98.9Very high98.5Very high2 Ų229.1 Ų29.11%0.0118%0.177CC..Hα-helixtrans-57.2-43.4174.1-75.7172.6000111.5G150 I151 F161 L182 A185 S186 A189 F248 V251 L252 F255G150-L154 WeakPolarHBondContact O-CG 3.13Å; G150-L154 PolarHBondContact O-N 3.01Å; I151-L154 WeakPolarHBondContact O-CB 3.41Å; I151-L154 PolarHBondContact O-N 3.02Å; L154-F161 HydrophobicContact CD2-CE2 4.15Å; L154-L182 HydrophobicContact CD2-CD1 3.77Å; L154-A185 HydrophobicContact CD1-CB 4.22Å; L154-A185 HydrophobicContact CD2-CB 4.43Å; L154-S186 WeakPolarHBondContact O-CB 3.45Å; L154-S186 PolarHBondContact O-OG 2.95Å; L154-A189 HydrophobicContact CB-CB 3.8Å; L154-F248 HydrophobicContact CD1-CD1 4.14Å; L154-F248 HydrophobicContact CD1-CE1 4.46Å; L154-V251 HydrophobicContact CD1-CG2 4.22Å; L154-L252 HydrophobicContact CD1-CD2 3.71Å; L154-L252 HydrophobicContact CD1-CG 4.11Å; L154-L252 HydrophobicContact CG-CD2 3.95Å; L154-F255 HydrophobicContact CD2-CE1 4.25Å
155A98.9Very high98.5Very high0 Ų028.8 Ų28.80%018%0.177CC..Hα-helixtrans-67.3-46179.800000112.3W89 L96 I151 C152 S153 L158 A189 N190 F193W89-A155 WeakPolarHBondContact CH2-O 3.31Å; L96-A155 HydrophobicContact CD1-CB 4.17Å; I151-A155 PolarHBondContact O-N 2.65Å; C152-A155 PolarHBondContact O-N 3.49Å; S153-A155 VanDerWaalsContact C-N 3.29Å; S153-A155 PolarHBondContact O-N 3.34Å; A155-L158 WeakPolarHBondContact O-CB 3.34Å; A155-L158 PolarHBondContact O-N 2.86Å; A155-A189 HydrophobicContact CB-CB 3.9Å; A155-N190 VanDerWaalsContact CA-ND2 3.31Å; A155-N190 WeakPolarHBondContact CA-ND2 3.47Å; A155-N190 PolarHBondContact O-ND2 3.32Å; A155-F193 HydrophobicContact CB-CD2 3.57Å; A155-F193 HydrophobicContact CB-CE2 3.77Å
156L98.9Very high98.6Very high18 Ų1826.9 Ų26.99%0.09416%0.157CC..Hα-helixtrans-72.2-28.2-176.9-67172.9000113.4W89 E93 L96 R97 C152 S153 L158W89-L156 HydrophobicContact CZ2-CD2 4.41Å; E93-L156 HydrophobicContact CB-CD2 4.16Å; E93-L156 HydrophobicContact CG-CD2 3.82Å; L96-L156 HydrophobicContact CB-CD1 4.07Å; L96-L156 HydrophobicContact CB-CD2 4.13Å; L96-L156 HydrophobicContact CB-CG 4.18Å; L96-L156 HydrophobicContact CD1-CD2 4.34Å; R97-L156 HydrophobicContact CG-CD1 3.64Å; C152-L156 WeakPolarHBondContact O-CB 3.3Å; C152-L156 WeakPolarHBondContact O-CG 3.15Å; C152-L156 PolarHBondContact O-N 3.12Å; S153-L156 PolarHBondContact O-N 3.01Å; L156-L158 PolarHBondContact O-N 3.45Å
157N98.8Very high98.7Very high47 Ų4723.3 Ų23.325%0.25114%0.139SC..THydrogen-bonded Turntrans-83.211.3174-71.3-65.4000113S153 I160 F161S153-N157 VanDerWaalsContact O-CB 3.32Å; S153-N157 WeakPolarHBondContact O-CB 3.37Å; S153-N157 PolarHBondContact O-N 3.21Å; S153-N157 PolarHBondContact O-ND2 3.32Å; S153-N157 PolarHBondContact OG-ND2 3.47Å; N157-I160 HydrophobicContact CB-CB 4.5Å; N157-I160 HydrophobicContact CB-CD1 4.4Å; N157-I160 WeakPolarHBondContact O-CA 3.47Å; N157-I160 WeakPolarHBondContact O-CB 3.45Å; N157-I160 PolarHBondContact O-N 2.85Å; N157-I160 VanDerWaalsContact OD1-CD1 3.23Å; N157-I160 WeakPolarHBondContact OD1-CD1 3.35Å; N157-F161 HydrophobicContact CB-CD2 3.73Å; N157-F161 HydrophobicContact CB-CE2 3.35Å; N157-F161 HydrophobicContact CB-CZ 3.92Å; N157-F161 WeakPolarHBondContact O-CD2 3.34Å; N157-F161 PolarHBondContact O-N 3.26Å
158L98.9Very high98.7Very high0 Ų023.5 Ų23.50%014%0.14CC..Hα-helixtrans-47.8-49.9176.3-177.468000114.5M67 P68 W89 A155 L156 I160 F161 V162 S186 L187M67-L158 HydrophobicContact CE-CD1 3.9Å; M67-L158 HydrophobicContact CE-CD2 3.68Å; M67-L158 HydrophobicContact CE-CG 3.83Å; P68-L158 HydrophobicContact CG-CD2 4.19Å; W89-L158 HydrophobicContact CH2-CB 4.49Å; A155-L158 WeakPolarHBondContact O-CB 3.34Å; A155-L158 PolarHBondContact O-N 2.86Å; L156-L158 PolarHBondContact O-N 3.45Å; L158-I160 PolarHBondContact O-N 3.01Å; L158-F161 PolarHBondContact O-N 3.16Å; L158-V162 HydrophobicContact CD1-CB 4.12Å; L158-V162 HydrophobicContact CD1-CG2 3.86Å; L158-V162 PolarHBondContact O-N 3.21Å; L158-S186 WeakPolarHBondContact CA-OG 3.24Å; L158-S186 WeakPolarHBondContact CD1-OG 3.41Å; L158-L187 HydrophobicContact CD1-CD2 3.74Å; L158-L187 HydrophobicContact CD1-CG 4.26Å
159P98.5Very high98.7Very high33 Ų3323.5 Ų23.521%0.21414%0.14CC..Hα-helixtrans-66.1-19.4178.625.6-34.8000113.8Y56 C69 T163Y56-P159 HydrophobicContact CD2-CB 3.79Å; Y56-P159 HydrophobicContact CE2-CB 4.26Å; Y56-P159 HydrophobicContact CG-CB 4.02Å; C69-P159 HydrophobicContact CB-CG 4.47Å; P159-T163 WeakPolarHBondContact O-CG2 3.3Å
160I98.6Very high98.5Very high102 Ų10221 Ų2152%0.52312%0.122SC..Hα-helixtrans-81.9-43.6174.7-67.7160.6000110.2P51 N157 L158P51-I160 WeakPolarHBondContact CG-O 3.47Å; N157-I160 HydrophobicContact CB-CB 4.5Å; N157-I160 HydrophobicContact CB-CD1 4.4Å; N157-I160 WeakPolarHBondContact O-CA 3.47Å; N157-I160 WeakPolarHBondContact O-CB 3.45Å; N157-I160 PolarHBondContact O-N 2.85Å; N157-I160 VanDerWaalsContact OD1-CD1 3.23Å; N157-I160 WeakPolarHBondContact OD1-CD1 3.35Å; L158-I160 PolarHBondContact O-N 3.01Å
161F98.7Very high98.3Very high30 Ų3022.5 Ų22.513%0.13213%0.13CC..Hα-helixtrans-79.4-38.2-177.1-62.6-44.2000112.8P51 L154 N157 L158 L182 Q183P51-F161 WeakPolarHBondContact CB-O 3.21Å; P51-F161 VanDerWaalsContact CG-O 3.3Å; P51-F161 WeakPolarHBondContact CG-O 3.31Å; L154-F161 HydrophobicContact CD2-CE2 4.15Å; N157-F161 HydrophobicContact CB-CD2 3.73Å; N157-F161 HydrophobicContact CB-CE2 3.35Å; N157-F161 HydrophobicContact CB-CZ 3.92Å; N157-F161 WeakPolarHBondContact O-CD2 3.34Å; N157-F161 PolarHBondContact O-N 3.26Å; L158-F161 PolarHBondContact O-N 3.16Å; F161-L182 HydrophobicContact CD1-CD2 3.99Å; F161-L182 HydrophobicContact CD1-CG 4.32Å; F161-L182 HydrophobicContact CE1-CD2 3.77Å; F161-L182 HydrophobicContact CE1-CG 4.34Å; F161-L182 HydrophobicContact CZ-CD2 4.28Å; F161-Q183 HydrophobicContact CB-CG 4.45Å; F161-Q183 WeakPolarHBondContact O-CG 3.2Å; F161-Q183 PolarHBondContact O-NE2 3Å
162V98.8Very high98Very high0 Ų031.7 Ų31.70%016%0.164CC..  trans-11782.7-176.8-173.20000109Y56 M67 L158 I166 Q183 L187Y56-V162 WeakPolarHBondContact CD2-O 3.24Å; Y56-V162 WeakPolarHBondContact CE2-O 3.43Å; M67-V162 HydrophobicContact CE-CB 4.22Å; M67-V162 HydrophobicContact CE-CG1 3.95Å; L158-V162 HydrophobicContact CD1-CB 4.12Å; L158-V162 HydrophobicContact CD1-CG2 3.86Å; L158-V162 PolarHBondContact O-N 3.21Å; V162-I166 HydrophobicContact CG1-CD1 4.01Å; V162-I166 HydrophobicContact CG1-CG1 4.15Å; V162-Q183 HydrophobicContact CG2-CB 4.03Å; V162-Q183 HydrophobicContact CG2-CG 4Å; V162-L187 HydrophobicContact CG2-CD1 4.33Å; V162-L187 HydrophobicContact CG2-CD2 4.25Å; V162-L187 HydrophobicContact CG2-CG 4.09Å
163T98.7Very high97.5Very high3 Ų337.1 Ų37.12%0.01819%0.187CC..  trans-85.5-18.5-177.151.90000113.8P51 P53 Q57 P159P51-T163 HydrophobicContact CB-CG2 4.13Å; P53-T163 WeakPolarHBondContact O-CB 3.35Å; P53-T163 PolarHBondContact O-OG1 2.72Å; Q57-T163 PolarHBondContact N-O 3.35Å; P159-T163 WeakPolarHBondContact O-CG2 3.3Å
164K98.5Very high97.2Very high42 Ų4237.5 Ų37.518%0.18318%0.182CC..SBendtrans-98135.4179.5-171.8174-66.6-176.60111V37 F38 Y52 I166V37-K164 PolarHBondContact O-NZ 3.1Å; F38-K164 HydrophobicContact CD1-CB 3.72Å; F38-K164 HydrophobicContact CD1-CD 4.25Å; F38-K164 HydrophobicContact CD1-CG 4.22Å; F38-K164 HydrophobicContact CE1-CB 3.93Å; F38-K164 HydrophobicContact CE1-CD 4.19Å; F38-K164 HydrophobicContact CE1-CG 4.04Å; Y52-K164 WeakPolarHBondContact O-CE 3.44Å; K164-I166 PolarHBondContact O-N 3.46Å
165P98.6Very high97.1Very high17 Ų1738.2 Ų38.211%0.1119%0.188CC..  trans-56.8128.5170.9-23.930.5000111.6Q57 K59 F64 P167Q57-P165 HydrophobicContact CB-CG 4.14Å; Q57-P165 WeakPolarHBondContact O-CD 3.4Å; Q57-P165 VanDerWaalsContact O-CG 3.3Å; Q57-P165 WeakPolarHBondContact O-CG 3.45Å; K59-P165 HydrophobicContact CB-CB 3.96Å; K59-P165 HydrophobicContact CB-CG 4.17Å; K59-P165 HydrophobicContact CG-CB 3.69Å; K59-P165 HydrophobicContact CG-CG 3.51Å; F64-P165 HydrophobicContact CD1-CB 3.48Å; F64-P165 VanDerWaalsContact CD1-CB 3.48Å; F64-P165 HydrophobicContact CE1-CB 3.84Å; F64-P165 HydrophobicContact CG-CB 4.22Å; P165-P167 WeakPolarHBondContact O-CD 3.4Å
166I98.8Very high97Very high0 Ų038.4 Ų38.40%019%0.189CC..  trans-83.2114.2176.5-57.5171.4000108F38 F64 V65 V162 K164 L177 L187 L338 F339F38-I166 HydrophobicContact CD1-CG1 4.35Å; F38-I166 HydrophobicContact CE1-CB 4.23Å; F38-I166 HydrophobicContact CE1-CG1 3.6Å; F38-I166 HydrophobicContact CZ-CB 4.37Å; F38-I166 HydrophobicContact CZ-CG1 4.11Å; F38-I166 HydrophobicContact CZ-CG2 4.41Å; F64-I166 CarbonylContact C-O 3.57Å; F64-I166 VanDerWaalsContact CA-O 3.32Å; F64-I166 WeakPolarHBondContact CA-O 3.22Å; V65-I166 HydrophobicContact CB-CB 4.11Å; V65-I166 HydrophobicContact CG2-CB 3.83Å; V65-I166 HydrophobicContact CG2-CG2 3.76Å; V65-I166 PolarHBondContact N-O 3.03Å; V162-I166 HydrophobicContact CG1-CD1 4.01Å; V162-I166 HydrophobicContact CG1-CG1 4.15Å; K164-I166 PolarHBondContact O-N 3.46Å; I166-L177 HydrophobicContact CG2-CD1 4.06Å; I166-L187 HydrophobicContact CD1-CD1 3.81Å; I166-L187 HydrophobicContact CD1-CD2 3.87Å; I166-L338 HydrophobicContact CD1-CD2 4.31Å; I166-F339 HydrophobicContact CG2-CB 3.85Å; I166-F339 HydrophobicContact CG2-CD1 3.84Å; I166-F339 HydrophobicContact CG2-CG 4.01Å
167P98.4Very high97Very high23 Ų2337.6 Ų37.615%0.14919%0.185CC..BIsolated β-bridgetrans-69.7145.317532-33.7000109.7K36 L63 F64 P165 L169 L177K36-P167 HydrophobicContact CG-CG 4.41Å; L63-P167 WeakPolarHBondContact O-CA 3.32Å; F64-P167 HydrophobicContact CD1-CB 4.16Å; F64-P167 HydrophobicContact CE1-CB 4.11Å; P165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-L169 PolarHBondContact O-N 2.87Å; P167-L177 HydrophobicContact CG-CD2 3.67Å
168L98.3Very high97Very high16 Ų1635.3 Ų35.38%0.08417%0.173CC..  trans-71.4127.6167.5-61.8175.7000108.5L63 V65 S170 Y208 F211 F339L63-L168 PolarHBondContact O-N 2.98Å; V65-L168 HydrophobicContact CG2-CD2 3.68Å; L168-S170 VanDerWaalsContact C-N 3.26Å; L168-S170 PolarHBondContact O-N 3.36Å; L168-Y208 HydrophobicContact CD1-CE1 4.16Å; L168-Y208 HydrophobicContact CD2-CE1 4.35Å; L168-F211 HydrophobicContact CB-CE1 4.14Å; L168-F211 HydrophobicContact CB-CZ 3.92Å; L168-F211 HydrophobicContact CD1-CE1 4.43Å; L168-F211 HydrophobicContact CD1-CE2 4.31Å; L168-F211 HydrophobicContact CD1-CZ 3.83Å; L168-F211 HydrophobicContact CD2-CD1 4.48Å; L168-F211 HydrophobicContact CD2-CE1 3.78Å; L168-F211 HydrophobicContact CD2-CZ 4.04Å; L168-F211 HydrophobicContact CG-CE1 4.32Å; L168-F211 HydrophobicContact CG-CZ 4.14Å; L168-F339 CarbonylContact C-O 3.5Å; L168-F339 HydrophobicContact CD2-CB 4.49Å
169L98.1Very high97Very high4 Ų435.3 Ų35.32%0.02117%0.173CC..BIsolated β-bridgetrans-79.679.5171.8-61.2-169.6000108.4P167 C175 L177 R264 F339 V340 E341P167-L169 PolarHBondContact O-N 2.87Å; L169-C175 HydrophobicContact CD2-CB 3.68Å; L169-L177 HydrophobicContact CD1-CD1 4.05Å; L169-L177 HydrophobicContact CD1-CG 4.09Å; L169-L177 HydrophobicContact CD2-CD1 4.06Å; L169-L177 HydrophobicContact CD2-CD2 4.17Å; L169-L177 HydrophobicContact CD2-CG 4Å; L169-L177 HydrophobicContact CG-CD1 3.94Å; L169-L177 HydrophobicContact CG-CG 4.26Å; L169-R264 HydrophobicContact CB-CB 4.41Å; L169-R264 HydrophobicContact CD1-CB 4.24Å; L169-R264 PolarHBondContact O-NH1 3.5Å; L169-F339 HydrophobicContact CD1-CD2 3.92Å; L169-F339 HydrophobicContact CD1-CE2 4Å; L169-F339 HydrophobicContact CG-CD2 3.99Å; L169-F339 PolarHBondContact N-O 3.35Å; L169-V340 HydrophobicContact CB-CG2 4.46Å; L169-V340 HydrophobicContact CD1-CG2 4.12Å; L169-E341 PolarHBondContact O-N 3.39Å; L169-E341 VanDerWaalsContact O-N 3.13Å
170S95.2Very high97Very high21 Ų2133.9 Ų33.915%0.14716%0.163CC..  trans-69157.7178.9-500000112.8L168 K173 R264 E341L168-S170 VanDerWaalsContact C-N 3.26Å; L168-S170 PolarHBondContact O-N 3.36Å; S170-K173 WeakPolarHBondContact O-CB 3.21Å; S170-K173 PolarHBondContact O-N 3.16Å; S170-K173 VanDerWaalsContact O-N 3.17Å; S170-R264 WeakPolarHBondContact O-CD 3.49Å; S170-R264 PolarHBondContact O-NE 3.05Å; S170-E341 WeakPolarHBondContact CA-OE2 3.35Å; S170-E341 WeakPolarHBondContact CB-OE2 3.5Å
171C94.1Very high97Very high48 Ų4829 Ų2932%0.32414%0.138SC..THydrogen-bonded Turntrans-49.6136.7173.3-173.90000112.4K173 E341 E347C171-K173 PolarHBondContact O-N 3.26Å; C171-E341 PolarHBondContact N-OE2 3.08Å; C171-E347 PolarHBondContact SG-OE2 2.9Å; C171-E347 VanDerWaalsContact SG-OE2 3.37Å
172R92.2Very high97Very high192 Ų19228 Ų2873%0.72513%0.134SC*.THydrogen-bonded Turntrans6210.9-177.4-56.8177.7179.6178.7-1.1115.8E347R172-E347 WeakPolarHBondContact CA-OE1 3.22Å; R172-E347 PolarHBondContact N-OE1 2.85Å
173K89.5Confident97Very high122 Ų12228.1 Ų28.153%0.5314%0.135SC..  trans-110.290.6177.7-63.5-174.5-172.4168.60110.1S170 C171 C175S170-K173 WeakPolarHBondContact O-CB 3.21Å; S170-K173 PolarHBondContact O-N 3.16Å; S170-K173 VanDerWaalsContact O-N 3.17Å; C171-K173 PolarHBondContact O-N 3.26Å; K173-C175 PolarHBondContact O-N 3.45Å
174E91.7Very high97Very high67 Ų6728 Ų2831%0.31313%0.134SC..  trans-61.5123.3174.6-63.6-167.8112.100111R264 R265 C266 F428E174-R264 WeakPolarHBondContact CA-O 3.42Å; E174-R265 WeakPolarHBondContact OE1-CA 3.38Å; E174-C266 HydrophobicContact CG-CB 3.67Å; E174-C266 PolarHBondContact OE1-N 3.44Å; E174-F428 HydrophobicContact CB-CZ 4.32Å
175C95.8Very high97.1Very high18 Ų1826 Ų2612%0.12213%0.125CC..EExtended strand (participates in β ladder)trans-160.7146.6177.8-179.10000109.3T34 L169 K173 R264T34-C175 CarbonylContact O-C 3.15Å; T34-C175 VanDerWaalsContact O-CA 3.29Å; T34-C175 WeakPolarHBondContact O-CA 3.29Å; L169-C175 HydrophobicContact CD2-CB 3.68Å; K173-C175 PolarHBondContact O-N 3.45Å; C175-R264 PolarHBondContact O-N 3.22Å; C175-R264 VanDerWaalsContact O-N 3.1Å
176S98Very high97.1Very high4 Ų425.1 Ų25.13%0.02812%0.12CC..EExtended strand (participates in β ladder)trans-109.1135.4176.4-54.70000110.5T34 H35 K36 F262 T263 R431T34-S176 PolarHBondContact O-N 3.08Å; H35-S176 CarbonylContact C-O 3.51Å; H35-S176 WeakPolarHBondContact CA-O 3.43Å; H35-S176 PolarHBondContact CD2-O 2.86Å; K36-S176 PolarHBondContact N-O 3.01Å; S176-F262 CarbonylContact C-O 3.57Å; S176-F262 WeakPolarHBondContact CA-O 3.48Å; S176-T263 VanDerWaalsContact OG-CG2 3.31Å; S176-T263 WeakPolarHBondContact OG-CG2 3.34Å; S176-T263 PolarHBondContact OG-OG1 3.48Å; S176-R431 PolarHBondContact OG-NH2 3.45Å
177L98.8Very high97.1Very high0 Ų025.2 Ų25.20%012%0.12CC..EExtended strand (participates in β ladder)trans-118.2122.3172.4-52.3-176.4000108.8K36 F38 I166 P167 L169 L179 T261 F262 F339K36-L177 HydrophobicContact CB-CD2 3.78Å; K36-L177 HydrophobicContact CG-CD2 3.89Å; K36-L177 CarbonylContact O-C 3.55Å; K36-L177 WeakPolarHBondContact O-CA 3.47Å; F38-L177 HydrophobicContact CE2-CB 3.98Å; F38-L177 HydrophobicContact CE2-CD2 3.96Å; F38-L177 HydrophobicContact CE2-CG 4.39Å; F38-L177 HydrophobicContact CZ-CD2 4.3Å; I166-L177 HydrophobicContact CG2-CD1 4.06Å; P167-L177 HydrophobicContact CG-CD2 3.67Å; L169-L177 HydrophobicContact CD1-CD1 4.05Å; L169-L177 HydrophobicContact CD1-CG 4.09Å; L169-L177 HydrophobicContact CD2-CD1 4.06Å; L169-L177 HydrophobicContact CD2-CD2 4.17Å; L169-L177 HydrophobicContact CD2-CG 4Å; L169-L177 HydrophobicContact CG-CD1 3.94Å; L169-L177 HydrophobicContact CG-CG 4.26Å; L177-L179 HydrophobicContact CB-CD1 4.15Å; L177-T261 CarbonylContact O-C 3.6Å; L177-T261 WeakPolarHBondContact O-CA 3.39Å; L177-F262 PolarHBondContact N-O 3.18Å; L177-F262 PolarHBondContact O-N 2.99Å; L177-F339 HydrophobicContact CD1-CD1 4.41Å; L177-F339 HydrophobicContact CD1-CD2 3.64Å; L177-F339 HydrophobicContact CD1-CE2 3.78Å; L177-F339 HydrophobicContact CD1-CG 3.99Å; L177-F339 HydrophobicContact CD1-CZ 4.22Å
178T98.8Very high97.1Very high0 Ų024.2 Ų24.20%011%0.114CC..EExtended strand (participates in β ladder)trans-110112.5173.5-61.10000109.6L29 H35 K36 F38 F39 V260 T261L29-T178 HydrophobicContact CD1-CG2 4.48Å; L29-T178 HydrophobicContact CD2-CG2 4.35Å; H35-T178 PolarHBondContact NE2-OG1 3.28Å; K36-T178 PolarHBondContact O-N 3.01Å; F38-T178 WeakPolarHBondContact CD2-O 3.49Å; F38-T178 PolarHBondContact N-O 3.36Å; F39-T178 HydrophobicContact CE1-CG2 3.76Å; F39-T178 HydrophobicContact CZ-CG2 3.84Å; T178-V260 WeakPolarHBondContact CA-O 3.42Å; T178-T261 VanDerWaalsContact OG1-CG2 3.31Å; T178-T261 WeakPolarHBondContact OG1-CG2 3.42Å; T178-T261 PolarHBondContact OG1-OG1 3.31Å
179L98.9Very high97.1Very high0 Ų023.5 Ų23.50%011%0.11CC..EExtended strand (participates in β ladder)trans-110.4149.3178.6-60106.3000109.7F38 L177 Q183 I184 L187 S259 V260 F262 F339F38-L179 HydrophobicContact CD2-CD2 4.47Å; F38-L179 HydrophobicContact CD2-CG 4.03Å; F38-L179 HydrophobicContact CG-CD2 4.33Å; F38-L179 HydrophobicContact CG-CG 4.26Å; L177-L179 HydrophobicContact CB-CD1 4.15Å; L179-Q183 HydrophobicContact CB-CB 4.44Å; L179-I184 HydrophobicContact CB-CD1 4.21Å; L179-I184 HydrophobicContact CB-CG1 3.93Å; L179-L187 HydrophobicContact CD2-CD1 3.86Å; L179-S259 CarbonylContact O-C 3.23Å; L179-S259 VanDerWaalsContact O-CA 3.23Å; L179-S259 WeakPolarHBondContact O-CA 3.34Å; L179-S259 WeakPolarHBondContact O-CB 3.42Å; L179-V260 PolarHBondContact N-O 2.98Å; L179-V260 PolarHBondContact O-N 3.21Å; L179-F262 HydrophobicContact CD1-CD2 3.73Å; L179-F262 HydrophobicContact CD1-CE2 3.77Å; L179-F339 HydrophobicContact CD1-CE1 4.25Å; L179-F339 HydrophobicContact CD1-CZ 4.3Å
180S98.8Very high97.2Very high2 Ų223.3 Ų23.31%0.01411%0.109CC..EExtended strand (participates in β ladder)trans-71.6153166.865.80000110.3L182 Q183 I184 G258S180-L182 PolarHBondContact O-N 2.85Å; S180-Q183 WeakPolarHBondContact O-CB 3.45Å; S180-Q183 PolarHBondContact O-N 3.33Å; S180-Q183 VanDerWaalsContact O-N 3.13Å; S180-Q183 WeakPolarHBondContact OG-CB 3.32Å; S180-Q183 WeakPolarHBondContact OG-CG 3.1Å; S180-Q183 PolarHBondContact OG-N 2.72Å; S180-Q183 VanDerWaalsContact OG-N 3.14Å; S180-Q183 PolarHBondContact OG-OE1 3.14Å; S180-I184 WeakPolarHBondContact O-CG1 3.48Å; S180-I184 PolarHBondContact O-N 3.33Å; S180-I184 VanDerWaalsContact O-N 3.07Å; S180-G258 WeakPolarHBondContact CA-O 3.31Å
181Q98.8Very high97.4Very high0 Ų022.3 Ų22.30%010%0.102CC..Hα-helixtrans-60.1-31.3175.2-68.6-178-83.900111.8I184 A185 P256 G258 V260 E332 E355 Y357Q181-I184 PolarHBondContact O-N 2.93Å; Q181-A185 PolarHBondContact O-N 3.31Å; Q181-P256 HydrophobicContact CB-CB 3.56Å; Q181-P256 HydrophobicContact CB-CG 3.37Å; Q181-P256 HydrophobicContact CG-CB 4.35Å; Q181-G258 PolarHBondContact N-O 2.97Å; Q181-G258 VanDerWaalsContact OE1-CA 3.24Å; Q181-V260 HydrophobicContact CG-CG2 4.07Å; Q181-E332 WeakPolarHBondContact CG-OE1 3.36Å; Q181-E332 PolarHBondContact NE2-OE1 2.81Å; Q181-E332 PolarHBondContact NE2-OE2 3.29Å; Q181-E355 PolarHBondContact NE2-OE2 2.76Å; Q181-Y357 PolarHBondContact NE2-OH 2.89Å
182L98.7Very high97.6Very high10 Ų1020.3 Ų20.35%0.0529%0.088CC..Hα-helixtrans-68-39.9175-177.461.1000112.5P48 L154 F161 S180 I184 A185 S186 F255P48-L182 HydrophobicContact CB-CD2 3.9Å; P48-L182 HydrophobicContact CG-CD2 4.5Å; L154-L182 HydrophobicContact CD2-CD1 3.77Å; F161-L182 HydrophobicContact CD1-CD2 3.99Å; F161-L182 HydrophobicContact CD1-CG 4.32Å; F161-L182 HydrophobicContact CE1-CD2 3.77Å; F161-L182 HydrophobicContact CE1-CG 4.34Å; F161-L182 HydrophobicContact CZ-CD2 4.28Å; S180-L182 PolarHBondContact O-N 2.85Å; L182-I184 VanDerWaalsContact C-N 3.3Å; L182-I184 PolarHBondContact O-N 3.01Å; L182-A185 PolarHBondContact O-N 3.16Å; L182-S186 PolarHBondContact O-N 3.17Å; L182-F255 HydrophobicContact CD1-CB 4.35Å; L182-F255 HydrophobicContact CD1-CD1 3.77Å; L182-F255 HydrophobicContact CD1-CD2 4.11Å; L182-F255 HydrophobicContact CD1-CE1 4.03Å; L182-F255 HydrophobicContact CD1-CE2 4.34Å; L182-F255 HydrophobicContact CD1-CG 3.84Å; L182-F255 HydrophobicContact CD1-CZ 4.31Å; L182-F255 HydrophobicContact CD2-CD2 3.97Å; L182-F255 HydrophobicContact CD2-CE2 4.4Å; L182-F255 HydrophobicContact CD2-CG 4.31Å
183Q98.9Very high97.9Very high1 Ų111.1 Ų11.11%0.0055%0.053CC..Hα-helixtrans-60.8-42.9172.7-78.4168.7-31.800111.3F38 F161 V162 L179 S180 S186 L187F38-Q183 PolarHBondContact O-NE2 3.23Å; F161-Q183 HydrophobicContact CB-CG 4.45Å; F161-Q183 WeakPolarHBondContact O-CG 3.2Å; F161-Q183 PolarHBondContact O-NE2 3Å; V162-Q183 HydrophobicContact CG2-CB 4.03Å; V162-Q183 HydrophobicContact CG2-CG 4Å; L179-Q183 HydrophobicContact CB-CB 4.44Å; S180-Q183 WeakPolarHBondContact O-CB 3.45Å; S180-Q183 PolarHBondContact O-N 3.33Å; S180-Q183 VanDerWaalsContact O-N 3.13Å; S180-Q183 WeakPolarHBondContact OG-CB 3.32Å; S180-Q183 WeakPolarHBondContact OG-CG 3.1Å; S180-Q183 PolarHBondContact OG-N 2.72Å; S180-Q183 VanDerWaalsContact OG-N 3.14Å; S180-Q183 PolarHBondContact OG-OE1 3.14Å; Q183-S186 PolarHBondContact O-N 3.37Å; Q183-L187 VanDerWaalsContact O-CG 3.31Å; Q183-L187 WeakPolarHBondContact O-CG 3.43Å; Q183-L187 PolarHBondContact O-N 2.89Å
184I99Very high98.3Very high0 Ų05.3 Ų5.30%03%0.028CC..Hα-helixtrans-61.4-45.4175.7-64.6171.7000110.5L179 S180 Q181 L182 S186 L187 L188 V260 F262 E332 V335L179-I184 HydrophobicContact CB-CD1 4.21Å; L179-I184 HydrophobicContact CB-CG1 3.93Å; S180-I184 WeakPolarHBondContact O-CG1 3.48Å; S180-I184 PolarHBondContact O-N 3.33Å; S180-I184 VanDerWaalsContact O-N 3.07Å; Q181-I184 PolarHBondContact O-N 2.93Å; L182-I184 VanDerWaalsContact C-N 3.3Å; L182-I184 PolarHBondContact O-N 3.01Å; I184-S186 VanDerWaalsContact C-N 3.31Å; I184-S186 PolarHBondContact O-N 3.2Å; I184-L187 PolarHBondContact O-N 3.23Å; I184-L187 VanDerWaalsContact O-N 3.16Å; I184-L188 HydrophobicContact CG2-CD1 3.77Å; I184-L188 HydrophobicContact CG2-CG 4.14Å; I184-L188 WeakPolarHBondContact O-CB 3.43Å; I184-L188 WeakPolarHBondContact O-CG 3.43Å; I184-L188 PolarHBondContact O-N 3.22Å; I184-V260 HydrophobicContact CD1-CB 3.68Å; I184-V260 HydrophobicContact CD1-CG1 4.48Å; I184-V260 HydrophobicContact CD1-CG2 3.62Å; I184-F262 HydrophobicContact CD1-CE2 4.03Å; I184-F262 HydrophobicContact CD1-CZ 4.17Å; I184-E332 HydrophobicContact CG2-CB 4.06Å; I184-E332 HydrophobicContact CG2-CG 3.95Å; I184-V335 HydrophobicContact CD1-CG1 4.27Å; I184-V335 HydrophobicContact CG1-CG1 4.09Å; I184-V335 HydrophobicContact CG2-CB 3.96Å; I184-V335 HydrophobicContact CG2-CG1 4.06Å; I184-V335 HydrophobicContact CG2-CG2 4.36Å
185A99Very high98.7Very high0 Ų02.1 Ų2.10%01%0.013CC..Hα-helixtrans-58.1-42.2176.800000112.4L154 Q181 L182 L188 A189 Y247 V251L154-A185 HydrophobicContact CD1-CB 4.22Å; L154-A185 HydrophobicContact CD2-CB 4.43Å; Q181-A185 PolarHBondContact O-N 3.31Å; L182-A185 PolarHBondContact O-N 3.16Å; A185-L188 PolarHBondContact O-N 3.31Å; A185-A189 WeakPolarHBondContact O-CB 3.46Å; A185-A189 PolarHBondContact O-N 2.86Å; A185-Y247 VanDerWaalsContact CA-OH 3.22Å; A185-Y247 WeakPolarHBondContact CA-OH 3.29Å; A185-Y247 HydrophobicContact CB-CE1 4.5Å; A185-Y247 WeakPolarHBondContact CB-OH 3.38Å; A185-Y247 PolarHBondContact N-OH 3.21Å; A185-V251 HydrophobicContact CB-CB 4.46Å; A185-V251 HydrophobicContact CB-CG2 4.03Å
186S98.9Very high98.8Very high0 Ų01.3 Ų1.30%01%0.007CC..Hα-helixtrans-65.1-40.2176-177.70000113.2L154 L158 L182 Q183 I184 A189 N190L154-S186 WeakPolarHBondContact O-CB 3.45Å; L154-S186 PolarHBondContact O-OG 2.95Å; L158-S186 WeakPolarHBondContact CA-OG 3.24Å; L158-S186 WeakPolarHBondContact CD1-OG 3.41Å; L182-S186 PolarHBondContact O-N 3.17Å; Q183-S186 PolarHBondContact O-N 3.37Å; I184-S186 VanDerWaalsContact C-N 3.31Å; I184-S186 PolarHBondContact O-N 3.2Å; S186-A189 PolarHBondContact O-N 3.09Å; S186-N190 PolarHBondContact O-N 3.45Å; S186-N190 PolarHBondContact O-ND2 2.88Å
187L99Very high98.7Very high1 Ų11.5 Ų1.51%0.0051%0.008CC..Hα-helixtrans-66.3-43.6175.4-68.7165.1000111.5M67 L158 V162 I166 L179 Q183 I184 N190 A191 F196 V335 L338M67-L187 HydrophobicContact CE-CD2 4.11Å; L158-L187 HydrophobicContact CD1-CD2 3.74Å; L158-L187 HydrophobicContact CD1-CG 4.26Å; V162-L187 HydrophobicContact CG2-CD1 4.33Å; V162-L187 HydrophobicContact CG2-CD2 4.25Å; V162-L187 HydrophobicContact CG2-CG 4.09Å; I166-L187 HydrophobicContact CD1-CD1 3.81Å; I166-L187 HydrophobicContact CD1-CD2 3.87Å; L179-L187 HydrophobicContact CD2-CD1 3.86Å; Q183-L187 VanDerWaalsContact O-CG 3.31Å; Q183-L187 WeakPolarHBondContact O-CG 3.43Å; Q183-L187 PolarHBondContact O-N 2.89Å; I184-L187 PolarHBondContact O-N 3.23Å; I184-L187 VanDerWaalsContact O-N 3.16Å; L187-N190 WeakPolarHBondContact O-CB 3.22Å; L187-N190 PolarHBondContact O-N 3.49Å; L187-A191 PolarHBondContact O-N 3.15Å; L187-F196 HydrophobicContact CB-CZ 4.49Å; L187-F196 HydrophobicContact CD2-CE1 4.45Å; L187-F196 HydrophobicContact CD2-CZ 4.07Å; L187-F196 WeakPolarHBondContact O-CE2 3.32Å; L187-V335 HydrophobicContact CB-CG2 3.95Å; L187-V335 HydrophobicContact CD1-CG2 3.7Å; L187-V335 HydrophobicContact CG-CG2 4.47Å; L187-L338 HydrophobicContact CB-CD2 4.48Å; L187-L338 HydrophobicContact CD1-CD2 4.4Å; L187-L338 HydrophobicContact CD2-CD2 3.79Å; L187-L338 HydrophobicContact CG-CD2 4.46Å
188L99Very high98.5Very high3 Ų37.6 Ų7.62%0.0163%0.031CC..Hα-helixtrans-69.7-31.9177.7-65.9178.7000112.2I184 A185 N190 A191 L192 F216 Y247 F248 P331 L334 V335I184-L188 HydrophobicContact CG2-CD1 3.77Å; I184-L188 HydrophobicContact CG2-CG 4.14Å; I184-L188 WeakPolarHBondContact O-CB 3.43Å; I184-L188 WeakPolarHBondContact O-CG 3.43Å; I184-L188 PolarHBondContact O-N 3.22Å; A185-L188 PolarHBondContact O-N 3.31Å; L188-N190 VanDerWaalsContact C-N 3.29Å; L188-N190 PolarHBondContact O-N 2.92Å; L188-A191 WeakPolarHBondContact O-CB 3.2Å; L188-A191 PolarHBondContact O-N 3.39Å; L188-A191 VanDerWaalsContact O-N 3.16Å; L188-L192 PolarHBondContact O-N 2.85Å; L188-F216 HydrophobicContact CD2-CZ 4.47Å; L188-Y247 HydrophobicContact CB-CE1 4.47Å; L188-Y247 HydrophobicContact CD1-CE1 3.79Å; L188-F248 HydrophobicContact CB-CE1 4.45Å; L188-F248 HydrophobicContact CB-CZ 3.98Å; L188-P331 HydrophobicContact CD1-CB 4.46Å; L188-P331 VanDerWaalsContact CD1-O 3.23Å; L188-P331 WeakPolarHBondContact CD1-O 3.2Å; L188-L334 HydrophobicContact CD2-CB 3.74Å; L188-V335 HydrophobicContact CD2-CB 4.34Å
189A99Very high98.3Very high0 Ų08.1 Ų8.10%03%0.033CC..Hα-helixtrans-61-42.217200000110.8I151 L154 A155 A185 S186 A191 L192 F193 F248I151-A189 HydrophobicContact CG2-CB 3.71Å; L154-A189 HydrophobicContact CB-CB 3.8Å; A155-A189 HydrophobicContact CB-CB 3.9Å; A185-A189 WeakPolarHBondContact O-CB 3.46Å; A185-A189 PolarHBondContact O-N 2.86Å; S186-A189 PolarHBondContact O-N 3.09Å; A189-A191 VanDerWaalsContact C-N 3.34Å; A189-A191 PolarHBondContact O-N 2.95Å; A189-L192 PolarHBondContact O-N 3.03Å; A189-F193 WeakPolarHBondContact O-CD2 3.43Å; A189-F193 PolarHBondContact O-N 2.91Å; A189-F193 VanDerWaalsContact O-N 3.08Å; A189-F248 HydrophobicContact CB-CE1 3.9Å; A189-F248 HydrophobicContact CB-CZ 4.27Å
190N98.9Very high97.8Very high0 Ų09 Ų90%04%0.038CC..Hα-helixtrans-63.9-36.6172.6-86.1-82.8000113P68 A155 S186 L187 L188 F193 C194 T195 F196P68-N190 HydrophobicContact CG-CB 4.48Å; A155-N190 VanDerWaalsContact CA-ND2 3.31Å; A155-N190 WeakPolarHBondContact CA-ND2 3.47Å; A155-N190 PolarHBondContact O-ND2 3.32Å; S186-N190 PolarHBondContact O-N 3.45Å; S186-N190 PolarHBondContact O-ND2 2.88Å; L187-N190 WeakPolarHBondContact O-CB 3.22Å; L187-N190 PolarHBondContact O-N 3.49Å; L188-N190 VanDerWaalsContact C-N 3.29Å; L188-N190 PolarHBondContact O-N 2.92Å; N190-F193 CarbonylContact O-C 3.48Å; N190-F193 PolarHBondContact O-N 3.16Å; N190-C194 PolarHBondContact O-N 2.85Å; N190-C194 VanDerWaalsContact O-N 3.08Å; N190-T195 WeakPolarHBondContact CA-OG1 3.5Å; N190-T195 WeakPolarHBondContact CB-OG1 3.24Å; N190-T195 PolarHBondContact O-N 3.44Å; N190-T195 PolarHBondContact O-OG1 3.46Å; N190-T195 VanDerWaalsContact O-OG1 3.1Å; N190-T195 PolarHBondContact OD1-OG1 2.9Å; N190-F196 HydrophobicContact CB-CE2 3.92Å; N190-F196 HydrophobicContact CB-CZ 4Å
191A98.9Very high97.1Very high0 Ų011.6 Ų11.60%06%0.055CC..Hα-helixtrans-63.8-44.5173.500000112.6L187 L188 A189 F193 C194 F196 I214 F216L187-A191 PolarHBondContact O-N 3.15Å; L188-A191 WeakPolarHBondContact O-CB 3.2Å; L188-A191 PolarHBondContact O-N 3.39Å; L188-A191 VanDerWaalsContact O-N 3.16Å; A189-A191 VanDerWaalsContact C-N 3.34Å; A189-A191 PolarHBondContact O-N 2.95Å; A191-F193 VanDerWaalsContact C-N 3.32Å; A191-F193 PolarHBondContact O-N 2.9Å; A191-C194 PolarHBondContact O-N 2.84Å; A191-F196 HydrophobicContact CB-CD2 4.32Å; A191-F196 HydrophobicContact CB-CE2 4Å; A191-I214 HydrophobicContact CB-CD1 4.09Å; A191-I214 HydrophobicContact CB-CG1 4.01Å; A191-I214 WeakPolarHBondContact CB-O 3.15Å; A191-F216 HydrophobicContact CB-CD1 4.04Å; A191-F216 HydrophobicContact CB-CE1 3.65Å; A191-F216 HydrophobicContact CB-CZ 4.05Å; A191-F216 PolarHBondContact O-N 3.37Å
192L98.9Very high96.2Very high6 Ų616.1 Ų16.13%0.0318%0.076CC..Hα-helixtrans-57.4-46.7175179.969.9000110.9I151 L188 A189 C194 F216 L220 F248I151-L192 HydrophobicContact CD1-CD2 4.14Å; I151-L192 HydrophobicContact CG2-CD2 3.89Å; L188-L192 PolarHBondContact O-N 2.85Å; A189-L192 PolarHBondContact O-N 3.03Å; L192-C194 PolarHBondContact O-N 2.81Å; L192-F216 HydrophobicContact CB-CD2 3.98Å; L192-F216 HydrophobicContact CB-CE2 4.28Å; L192-F216 HydrophobicContact CD1-CD2 3.68Å; L192-F216 HydrophobicContact CD1-CE2 4.4Å; L192-F216 HydrophobicContact CG-CD2 4.46Å; L192-L220 HydrophobicContact CD1-CD1 4.39Å; L192-L220 HydrophobicContact CD1-CD2 4.19Å; L192-F248 HydrophobicContact CB-CE2 4.32Å; L192-F248 HydrophobicContact CD2-CD2 4.33Å; L192-F248 HydrophobicContact CD2-CE2 3.96Å
193F98.9Very high95.7Very high0 Ų017.7 Ų17.70%09%0.088CC..THydrogen-bonded Turntrans-78.94.8178.2-65.4-51.5000114.3L96 L106 I110 Y113 L148 I151 C152 A155 A189 N190 A191 T195L96-F193 HydrophobicContact CD1-CB 4.34Å; L96-F193 HydrophobicContact CD1-CD2 3.73Å; L96-F193 HydrophobicContact CD1-CE2 4.16Å; L96-F193 HydrophobicContact CD1-CG 4.03Å; L96-F193 HydrophobicContact CD2-CD1 3.73Å; L96-F193 HydrophobicContact CD2-CD2 4.17Å; L96-F193 HydrophobicContact CD2-CE1 3.9Å; L96-F193 HydrophobicContact CD2-CE2 4.31Å; L96-F193 HydrophobicContact CD2-CG 3.89Å; L96-F193 HydrophobicContact CD2-CZ 4.2Å; L106-F193 HydrophobicContact CD1-CD1 4.16Å; L106-F193 HydrophobicContact CD1-CE1 3.8Å; I110-F193 HydrophobicContact CD1-CD1 4.19Å; I110-F193 HydrophobicContact CG1-CD1 4.19Å; Y113-F193 VanDerWaalsContact CE2-O 3.3Å; Y113-F193 WeakPolarHBondContact CE2-O 3.34Å; Y113-F193 PolarHBondContact OH-O 3.12Å; L148-F193 HydrophobicContact CD1-CE1 3.99Å; L148-F193 HydrophobicContact CD1-CZ 3.99Å; I151-F193 HydrophobicContact CB-CE2 4.31Å; I151-F193 HydrophobicContact CB-CZ 4.15Å; I151-F193 HydrophobicContact CG2-CE2 3.67Å; I151-F193 HydrophobicContact CG2-CZ 3.82Å; C152-F193 HydrophobicContact CB-CZ 4.45Å; C152-F193 VanDerWaalsContact SG-CZ 3.54Å; A155-F193 HydrophobicContact CB-CD2 3.57Å; A155-F193 HydrophobicContact CB-CE2 3.77Å; A189-F193 WeakPolarHBondContact O-CD2 3.43Å; A189-F193 PolarHBondContact O-N 2.91Å; A189-F193 VanDerWaalsContact O-N 3.08Å; N190-F193 CarbonylContact O-C 3.48Å; N190-F193 PolarHBondContact O-N 3.16Å; A191-F193 VanDerWaalsContact C-N 3.32Å; A191-F193 PolarHBondContact O-N 2.9Å; F193-T195 VanDerWaalsContact C-N 3.29Å; F193-T195 HydrophobicContact CB-CG2 3.81Å; F193-T195 PolarHBondContact O-N 2.94Å
194C98.7Very high95.2Very high0 Ų025.8 Ų25.80%013%0.126CC..THydrogen-bonded Turntrans55.539.8176.4-56.40000113.6I110 N114 W121 N190 A191 L192 N215 S217I110-C194 HydrophobicContact CG2-CB 4.04Å; N114-C194 PolarHBondContact ND2-O 3.13Å; W121-C194 HydrophobicContact CH2-CB 4.32Å; W121-C194 HydrophobicContact CZ3-CB 4.14Å; N190-C194 PolarHBondContact O-N 2.85Å; N190-C194 VanDerWaalsContact O-N 3.08Å; A191-C194 PolarHBondContact O-N 2.84Å; L192-C194 PolarHBondContact O-N 2.81Å; C194-N215 WeakPolarHBondContact CA-OD1 3.5Å; C194-N215 HydrophobicContact CB-CB 4.05Å; C194-S217 PolarHBondContact SG-N 3.14Å
195T98.6Very high94.7Very high0 Ų032.4 Ų32.40%016%0.161CC..  trans-88.2-20.7-173.864.90000113P68 R88 I92 Y113 N190 F193 P197P68-T195 VanDerWaalsContact CG-OG1 3.22Å; P68-T195 WeakPolarHBondContact CG-OG1 3.36Å; R88-T195 PolarHBondContact NH1-O 2.93Å; I92-T195 HydrophobicContact CD1-CG2 4.06Å; I92-T195 HydrophobicContact CG1-CG2 4.31Å; I92-T195 HydrophobicContact CG2-CG2 3.88Å; Y113-T195 HydrophobicContact CE2-CG2 4.01Å; N190-T195 WeakPolarHBondContact CA-OG1 3.5Å; N190-T195 WeakPolarHBondContact CB-OG1 3.24Å; N190-T195 PolarHBondContact O-N 3.44Å; N190-T195 PolarHBondContact O-OG1 3.46Å; N190-T195 VanDerWaalsContact O-OG1 3.1Å; N190-T195 PolarHBondContact OD1-OG1 2.9Å; F193-T195 VanDerWaalsContact C-N 3.29Å; F193-T195 HydrophobicContact CB-CG2 3.81Å; F193-T195 PolarHBondContact O-N 2.94Å; T195-P197 WeakPolarHBondContact O-CD 3.46Å; T195-P197 VanDerWaalsContact O-N 3.14Å
196F98.5Very high94.4Very high1 Ų133 Ų330%0.00417%0.166CC..SBendtrans-61.8118.2-177.3-71.3-70.5000111.3V65 P68 L187 N190 A191 R199 I214 N215 L338V65-F196 HydrophobicContact CG1-CE1 4.44Å; P68-F196 HydrophobicContact CG-CD1 3.87Å; P68-F196 HydrophobicContact CG-CE1 4.1Å; P68-F196 HydrophobicContact CG-CG 4.4Å; L187-F196 HydrophobicContact CB-CZ 4.49Å; L187-F196 HydrophobicContact CD2-CE1 4.45Å; L187-F196 HydrophobicContact CD2-CZ 4.07Å; L187-F196 WeakPolarHBondContact O-CE2 3.32Å; N190-F196 HydrophobicContact CB-CE2 3.92Å; N190-F196 HydrophobicContact CB-CZ 4Å; A191-F196 HydrophobicContact CB-CD2 4.32Å; A191-F196 HydrophobicContact CB-CE2 4Å; F196-R199 HydrophobicContact CB-CB 4.16Å; F196-R199 HydrophobicContact CB-CG 3.81Å; F196-I214 HydrophobicContact CB-CG2 4.25Å; F196-I214 HydrophobicContact CD2-CG1 4.03Å; F196-I214 HydrophobicContact CD2-CG2 4.11Å; F196-I214 HydrophobicContact CE2-CG1 4.12Å; F196-I214 HydrophobicContact CG-CG2 4.37Å; F196-N215 WeakPolarHBondContact CB-OD1 3.41Å; F196-N215 PolarHBondContact N-OD1 3.06Å; F196-N215 PolarHBondContact O-ND2 3.38Å; F196-L338 HydrophobicContact CD1-CD1 3.57Å; F196-L338 HydrophobicContact CD2-CD1 4.07Å; F196-L338 HydrophobicContact CE1-CD1 3.49Å; F196-L338 VanDerWaalsContact CE1-CD1 3.49Å; F196-L338 HydrophobicContact CE1-CD2 3.81Å; F196-L338 HydrophobicContact CE1-CG 4.31Å; F196-L338 HydrophobicContact CE2-CD1 3.98Å; F196-L338 HydrophobicContact CE2-CD2 4.43Å; F196-L338 HydrophobicContact CG-CD1 3.88Å; F196-L338 HydrophobicContact CZ-CD1 3.7Å; F196-L338 HydrophobicContact CZ-CD2 3.65Å; F196-L338 HydrophobicContact CZ-CG 4.33Å
197P96.4Very high94.1Very high7 Ų736.5 Ų36.55%0.04518%0.183CC..THydrogen-bonded Turntrans-68.6144.5-174.128.2-34.8000111.1W60 R66 T195 R199W60-P197 HydrophobicContact CH2-CB 3.84Å; W60-P197 HydrophobicContact CH2-CG 3.55Å; W60-P197 HydrophobicContact CZ3-CG 3.78Å; R66-P197 HydrophobicContact CB-CG 3.85Å; R66-P197 VanDerWaalsContact O-CD 3.29Å; R66-P197 WeakPolarHBondContact O-CD 3.34Å; R66-P197 WeakPolarHBondContact O-CG 3.34Å; T195-P197 WeakPolarHBondContact O-CD 3.46Å; T195-P197 VanDerWaalsContact O-N 3.14Å; P197-R199 WeakPolarHBondContact O-CG 3.48Å; P197-R199 PolarHBondContact O-N 2.89Å
198R93.4Very high93.9Very high128 Ų12837 Ų3748%0.48319%0.185SC..THydrogen-bonded Turntrans61.87.5176.3-49.8175.5-174.9-175.3-1.8115.4E207 Y208R198-E207 WeakPolarHBondContact CD-OE2 3.01Å; R198-E207 IonicContact CZ-OE2 2.83Å; R198-E207 IonicContact NE-OE2 3.7Å; R198-E207 IonicContact NH1-OE2 3.45Å; R198-E207 PolarHBondContact NH1-OE2 2.9Å; R198-Y208 HydrophobicContact CB-CD2 4.21Å; R198-Y208 HydrophobicContact CB-CE2 4.16Å
199R94.9Very high93.7Very high11 Ų1138.9 Ų38.94%0.04220%0.196CC..THydrogen-bonded Turntrans-91.89.6179-60.6-55.1-66.2-85.7-2.2115.4F196 P197 Y208 P212 I214 C337 L338F196-R199 HydrophobicContact CB-CB 4.16Å; F196-R199 HydrophobicContact CB-CG 3.81Å; P197-R199 WeakPolarHBondContact O-CG 3.48Å; P197-R199 PolarHBondContact O-N 2.89Å; R199-Y208 HydrophobicContact CG-CD2 4.4Å; R199-P212 PolarHBondContact NH2-O 3.03Å; R199-I214 HydrophobicContact CB-CG2 3.81Å; R199-I214 HydrophobicContact CG-CG2 3.84Å; R199-C337 PolarHBondContact NH2-O 3.16Å; R199-L338 PolarHBondContact NH1-O 3.11Å
200N89.6Confident93.5Very high20 Ų2042.2 Ų42.211%0.10721%0.214CC..THydrogen-bonded Turntrans-111.53.7178.8-60.6-41.7000113F117 W121 N215F117-N200 HydrophobicContact CE1-CB 4.04Å; F117-N200 HydrophobicContact CE2-CB 3.87Å; F117-N200 HydrophobicContact CZ-CB 3.46Å; F117-N200 VanDerWaalsContact CZ-CB 3.46Å; W121-N200 HydrophobicContact CH2-CB 4.29Å; W121-N200 WeakPolarHBondContact CH2-ND2 3.38Å; W121-N200 HydrophobicContact CZ2-CB 3.94Å; N200-N215 VanDerWaalsContact CG-ND2 3.35Å; N200-N215 PolarHBondContact ND2-ND2 2.69Å; N200-N215 VanDerWaalsContact OD1-CB 3.22Å; N200-N215 WeakPolarHBondContact OD1-CB 3.18Å; N200-N215 PolarHBondContact OD1-ND2 3.05Å
201C84.4Confident93.4Very high55 Ų5543.3 Ų43.337%0.37222%0.219SC..  trans-103.7132.6178.2-161.60000109.3S203 A206C201-S203 PolarHBondContact SG-OG 3.28Å; C201-S203 VanDerWaalsContact SG-OG 3.34Å; C201-A206 HydrophobicContact CB-CB 4.17Å
202H79.5Confident93.3Very high95 Ų9543.8 Ų43.844%0.4422%0.222SC..  trans-12215.3-176.4-53.8-57.8000112.7Q213 H218H202-Q213 PolarHBondContact CE1-NE2 3.26Å; H202-Q213 PolarHBondContact NE2-NE2 3.2Å; H202-H218 AromaticContact NE2-NE2 3.63Å
203S87.4Confident93.2Very high44 Ų4446.4 Ų46.431%0.30823%0.234SC..SBendtrans-68.6155.9174.260.60000110.6C201 D205 A206C201-S203 PolarHBondContact SG-OG 3.28Å; C201-S203 VanDerWaalsContact SG-OG 3.34Å; S203-D205 WeakPolarHBondContact CB-OD1 3.18Å; S203-D205 PolarHBondContact O-N 3.23Å; S203-D205 PolarHBondContact OG-OD1 3.4Å; S203-A206 WeakPolarHBondContact O-CB 3.45Å; S203-A206 PolarHBondContact O-N 3.24Å
204Q88.1Confident93.2Very high170 Ų17046.5 Ų46.579%0.79424%0.235SC*.THydrogen-bonded Turntrans-64.5-20.8-177.1-68.3-63.5-39.500113.2
205D89.2Confident93.2Very high139 Ų13946.7 Ų46.774%0.74324%0.235SC*.THydrogen-bonded Turntrans-93.11.6175.565.2-38.9000113.5S203S203-D205 WeakPolarHBondContact CB-OD1 3.18Å; S203-D205 PolarHBondContact O-N 3.23Å; S203-D205 PolarHBondContact OG-OD1 3.4Å
206A91.9Very high93.2Very high12 Ų1246.7 Ų46.710%0.09924%0.236CC..  trans-67.2137.7-179.900000111.5C201 S203 Y208 V209C201-A206 HydrophobicContact CB-CB 4.17Å; S203-A206 WeakPolarHBondContact O-CB 3.45Å; S203-A206 PolarHBondContact O-N 3.24Å; A206-Y208 PolarHBondContact O-N 3.3Å; A206-V209 WeakPolarHBondContact O-CB 3.36Å; A206-V209 WeakPolarHBondContact O-CG1 3.41Å; A206-V209 PolarHBondContact O-N 3.38Å
207E92.1Very high93.1Very high75 Ų7546.8 Ų46.835%0.3524%0.236SC..THydrogen-bonded Turntrans-51.1-34.2179.4179.3173.6-171.900113.5R66 R198R66-E207 IonicContact CZ-OE1 3.75Å; R66-E207 IonicContact CZ-OE2 2.84Å; R66-E207 IonicContact NE-OE1 3.37Å; R66-E207 PolarHBondContact NE-OE1 2.87Å; R66-E207 IonicContact NE-OE2 2.72Å; R66-E207 PolarHBondContact NE-OE2 3.09Å; R66-E207 IonicContact NH2-OE1 3.6Å; R66-E207 PolarHBondContact NH2-OE1 3.39Å; R66-E207 IonicContact NH2-OE2 2.81Å; R198-E207 WeakPolarHBondContact CD-OE2 3.01Å; R198-E207 IonicContact CZ-OE2 2.83Å; R198-E207 IonicContact NE-OE2 3.7Å; R198-E207 IonicContact NH1-OE2 3.45Å; R198-E207 PolarHBondContact NH1-OE2 2.9Å
208Y94.8Very high93Very high12 Ų1249.2 Ų49.25%0.04725%0.247CC..THydrogen-bonded Turntrans-107.524.7-177.4-66.8-78.4000113.1R66 L168 R198 R199 A206 N210 F211R66-Y208 WeakPolarHBondContact CG-OH 3.44Å; L168-Y208 HydrophobicContact CD1-CE1 4.16Å; L168-Y208 HydrophobicContact CD2-CE1 4.35Å; R198-Y208 HydrophobicContact CB-CD2 4.21Å; R198-Y208 HydrophobicContact CB-CE2 4.16Å; R199-Y208 HydrophobicContact CG-CD2 4.4Å; A206-Y208 PolarHBondContact O-N 3.3Å; Y208-N210 PolarHBondContact O-N 2.78Å; Y208-F211 HydrophobicContact CD1-CB 4.22Å; Y208-F211 AromaticContact CD1-CD2 3.76Å; Y208-F211 HydrophobicContact CD1-CD2 3.76Å; Y208-F211 HydrophobicContact CD1-CE2 4.32Å; Y208-F211 AromaticContact CD1-CG 3.97Å; Y208-F211 HydrophobicContact CD1-CG 3.97Å; Y208-F211 PolarHBondContact O-N 3.38Å
209V95.1Very high93.3Very high42 Ų4243.2 Ų43.226%0.25522%0.224SC..THydrogen-bonded Turntrans-56.8-30.3179.467.20000113.1A206 Y310A206-V209 WeakPolarHBondContact O-CB 3.36Å; A206-V209 WeakPolarHBondContact O-CG1 3.41Å; A206-V209 PolarHBondContact O-N 3.38Å; V209-Y310 WeakPolarHBondContact O-CE1 3.04Å; V209-Y310 PolarHBondContact O-OH 2.89Å
210N95.7Very high93.4Very high70 Ų7042.9 Ų42.937%0.37422%0.223SC..THydrogen-bonded Turntrans-91.66.4176.6-68.2-19.2000113.7Y208 E341 R342Y208-N210 PolarHBondContact O-N 2.78Å; N210-E341 HydrophobicContact CB-CG 3.78Å; N210-E341 WeakPolarHBondContact CB-OE1 3.29Å; N210-E341 PolarHBondContact ND2-OE1 2.89Å; N210-E341 WeakPolarHBondContact O-CG 3.26Å; N210-R342 WeakPolarHBondContact O-CB 3.44Å; N210-R342 PolarHBondContact O-N 3.31Å
211F97.3Very high93.7Very high22 Ų2242.4 Ų42.410%0.09622%0.221CC..SBendtrans-111.8149.9177.7-71.1-98.2000110.8L168 Y208 V340 E341L168-F211 HydrophobicContact CB-CE1 4.14Å; L168-F211 HydrophobicContact CB-CZ 3.92Å; L168-F211 HydrophobicContact CD1-CE1 4.43Å; L168-F211 HydrophobicContact CD1-CE2 4.31Å; L168-F211 HydrophobicContact CD1-CZ 3.83Å; L168-F211 HydrophobicContact CD2-CD1 4.48Å; L168-F211 HydrophobicContact CD2-CE1 3.78Å; L168-F211 HydrophobicContact CD2-CZ 4.04Å; L168-F211 HydrophobicContact CG-CE1 4.32Å; L168-F211 HydrophobicContact CG-CZ 4.14Å; Y208-F211 HydrophobicContact CD1-CB 4.22Å; Y208-F211 AromaticContact CD1-CD2 3.76Å; Y208-F211 HydrophobicContact CD1-CD2 3.76Å; Y208-F211 HydrophobicContact CD1-CE2 4.32Å; Y208-F211 AromaticContact CD1-CG 3.97Å; Y208-F211 HydrophobicContact CD1-CG 3.97Å; Y208-F211 PolarHBondContact O-N 3.38Å; F211-V340 WeakPolarHBondContact CD1-O 3.26Å; F211-E341 HydrophobicContact CD1-CB 4.34Å; F211-E341 HydrophobicContact CD2-CG 4.48Å; F211-E341 HydrophobicContact CE1-CB 3.76Å; F211-E341 VanDerWaalsContact CE1-N 3.29Å; F211-E341 HydrophobicContact CE2-CB 4.16Å; F211-E341 HydrophobicContact CE2-CG 4.04Å; F211-E341 HydrophobicContact CZ-CB 3.65Å; F211-E341 HydrophobicContact CZ-CG 4.05Å
212P97.1Very high94Very high10 Ų1040 Ų407%0.06521%0.206CC..  trans-62.3168.7175.2-20.733000112.7R199 L311 C337 V340R199-P212 PolarHBondContact NH2-O 3.03Å; P212-L311 WeakPolarHBondContact CB-O 3.39Å; P212-L311 HydrophobicContact CG-CB 4.23Å; P212-L311 WeakPolarHBondContact CG-O 3.4Å; P212-C337 HydrophobicContact CB-CB 3.85Å; P212-C337 HydrophobicContact CG-CB 4.37Å; P212-V340 WeakPolarHBondContact CD-O 3.42Å
213Q96Very high94.1Very high62 Ų6243.8 Ų43.829%0.2922%0.221SC..  trans-72.6141.1169.5-57.5-169.8-200109.7H202 H218 L316 C337H202-Q213 PolarHBondContact CE1-NE2 3.26Å; H202-Q213 PolarHBondContact NE2-NE2 3.2Å; Q213-H218 PolarHBondContact OE1-CD2 2.72Å; Q213-L316 HydrophobicContact CB-CD1 4.31Å; Q213-L316 WeakPolarHBondContact O-CD1 3.28Å; Q213-C337 WeakPolarHBondContact O-CB 3.18Å
214I98.1Very high93Very high2 Ų245.6 Ų45.61%0.0123%0.233CC..  trans-123.2-34.4176.1-175.460.6000112.9A191 F196 R199 F216 L334 C337 L338A191-I214 HydrophobicContact CB-CD1 4.09Å; A191-I214 HydrophobicContact CB-CG1 4.01Å; A191-I214 WeakPolarHBondContact CB-O 3.15Å; F196-I214 HydrophobicContact CB-CG2 4.25Å; F196-I214 HydrophobicContact CD2-CG1 4.03Å; F196-I214 HydrophobicContact CD2-CG2 4.11Å; F196-I214 HydrophobicContact CE2-CG1 4.12Å; F196-I214 HydrophobicContact CG-CG2 4.37Å; R199-I214 HydrophobicContact CB-CG2 3.81Å; R199-I214 HydrophobicContact CG-CG2 3.84Å; I214-F216 WeakPolarHBondContact O-CD1 3.41Å; I214-F216 VanDerWaalsContact O-CE1 3.25Å; I214-F216 WeakPolarHBondContact O-CE1 3.19Å; I214-L334 WeakPolarHBondContact CD1-O 3.4Å; I214-C337 HydrophobicContact CD1-CB 4.1Å; I214-L338 HydrophobicContact CD1-CB 4.22Å; I214-L338 HydrophobicContact CG1-CB 4.13Å; I214-L338 HydrophobicContact CG1-CD1 4.11Å; I214-L338 HydrophobicContact CG2-CD1 4.23Å
215N98.4Very high91.5Very high3 Ų343.5 Ų43.52%0.01623%0.227CC..SBendtrans-74.6138.6179-72.5-29.6000111C194 F196 N200 S217C194-N215 WeakPolarHBondContact CA-OD1 3.5Å; C194-N215 HydrophobicContact CB-CB 4.05Å; F196-N215 WeakPolarHBondContact CB-OD1 3.41Å; F196-N215 PolarHBondContact N-OD1 3.06Å; F196-N215 PolarHBondContact O-ND2 3.38Å; N200-N215 VanDerWaalsContact CG-ND2 3.35Å; N200-N215 PolarHBondContact ND2-ND2 2.69Å; N200-N215 VanDerWaalsContact OD1-CB 3.22Å; N200-N215 WeakPolarHBondContact OD1-CB 3.18Å; N200-N215 PolarHBondContact OD1-ND2 3.05Å; N215-S217 PolarHBondContact O-N 2.8Å
216F98.5Very high89.7Confident1 Ų140.1 Ų40.10%0.00422%0.215CC..THydrogen-bonded Turntrans-8511.5-168.9-67.67000114.1L188 A191 L192 I214 H218 L219 L220 I244 L316 L334L188-F216 HydrophobicContact CD2-CZ 4.47Å; A191-F216 HydrophobicContact CB-CD1 4.04Å; A191-F216 HydrophobicContact CB-CE1 3.65Å; A191-F216 HydrophobicContact CB-CZ 4.05Å; A191-F216 PolarHBondContact O-N 3.37Å; L192-F216 HydrophobicContact CB-CD2 3.98Å; L192-F216 HydrophobicContact CB-CE2 4.28Å; L192-F216 HydrophobicContact CD1-CD2 3.68Å; L192-F216 HydrophobicContact CD1-CE2 4.4Å; L192-F216 HydrophobicContact CG-CD2 4.46Å; I214-F216 WeakPolarHBondContact O-CD1 3.41Å; I214-F216 VanDerWaalsContact O-CE1 3.25Å; I214-F216 WeakPolarHBondContact O-CE1 3.19Å; F216-H218 PolarHBondContact O-N 2.82Å; F216-H218 VanDerWaalsContact O-N 3.16Å; F216-L219 HydrophobicContact CB-CB 4.44Å; F216-L219 HydrophobicContact CD2-CD2 4.47Å; F216-L219 WeakPolarHBondContact O-CA 3.3Å; F216-L219 WeakPolarHBondContact O-CB 3.41Å; F216-L219 PolarHBondContact O-N 3.16Å; F216-L220 HydrophobicContact CB-CD1 4.17Å; F216-L220 HydrophobicContact CB-CG 4.29Å; F216-L220 VanDerWaalsContact O-CG 3.32Å; F216-L220 WeakPolarHBondContact O-CG 3.23Å; F216-L220 PolarHBondContact O-N 3.17Å; F216-I244 HydrophobicContact CD2-CG2 4.31Å; F216-I244 HydrophobicContact CE2-CG1 4.49Å; F216-I244 HydrophobicContact CE2-CG2 3.7Å; F216-L316 HydrophobicContact CD1-CD1 3.79Å; F216-L316 HydrophobicContact CD1-CD2 3.41Å; F216-L316 VanDerWaalsContact CD1-CD2 3.41Å; F216-L316 HydrophobicContact CD1-CG 4.24Å; F216-L316 HydrophobicContact CE1-CD1 4.05Å; F216-L316 HydrophobicContact CE1-CD2 3.53Å; F216-L316 HydrophobicContact CE1-CG 4.44Å; F216-L316 HydrophobicContact CG-CD2 4.07Å; F216-L316 HydrophobicContact CZ-CD2 4.25Å; F216-L334 HydrophobicContact CZ-CD1 4.03Å
217S96.9Very high88.2Confident2 Ų248.9 Ų48.91%0.01425%0.251CS..Hα-helixtrans-54.8-39.4-175.655.90000113.1W121 C194 N215 S221W121-S217 VanDerWaalsContact CD2-CB 3.48Å; W121-S217 WeakPolarHBondContact CZ2-OG 3.23Å; C194-S217 PolarHBondContact SG-N 3.14Å; N215-S217 PolarHBondContact O-N 2.8Å; S217-S221 WeakPolarHBondContact O-CB 3.49Å; S217-S221 PolarHBondContact O-N 3.32Å; S217-S221 PolarHBondContact O-OG 3.28Å
218H95.7Very high86.5Confident58 Ų5855.6 Ų55.627%0.26927%0.274SS..Hα-helixtrans-72.1-29.2176-74-67.7000113.7H202 Q213 F216 K237 L316H202-H218 AromaticContact NE2-NE2 3.63Å; Q213-H218 PolarHBondContact OE1-CD2 2.72Å; F216-H218 PolarHBondContact O-N 2.82Å; F216-H218 VanDerWaalsContact O-N 3.16Å; H218-K237 PolarHBondContact O-NZ 2.98Å; H218-L316 CarbonylContact C-O 3.05Å; H218-L316 WeakPolarHBondContact CB-O 3.38Å
219L97.7Very high84.7Confident2 Ų259.4 Ų59.41%0.0130%0.296CS..Hα-helixtrans-74.6-43.6175.7-179.560.7000109.9T125 F216 S221 K237 K240 I244 L316T125-L219 VanDerWaalsContact CB-O 3.22Å; T125-L219 WeakPolarHBondContact CB-O 3.48Å; T125-L219 WeakPolarHBondContact CG2-O 3.12Å; T125-L219 PolarHBondContact OG1-O 2.82Å; F216-L219 HydrophobicContact CB-CB 4.44Å; F216-L219 HydrophobicContact CD2-CD2 4.47Å; F216-L219 WeakPolarHBondContact O-CA 3.3Å; F216-L219 WeakPolarHBondContact O-CB 3.41Å; F216-L219 PolarHBondContact O-N 3.16Å; L219-S221 VanDerWaalsContact C-N 3.26Å; L219-S221 PolarHBondContact O-N 3.22Å; L219-K237 HydrophobicContact CD1-CB 4.19Å; L219-K237 HydrophobicContact CD1-CG 4.24Å; L219-K240 HydrophobicContact CD1-CB 4.17Å; L219-I244 HydrophobicContact CD2-CG1 4.32Å; L219-L316 WeakPolarHBondContact CA-O 3.43Å; L219-L316 HydrophobicContact CB-CD2 4.49Å; L219-L316 HydrophobicContact CD2-CD2 4.15Å; L219-L316 PolarHBondContact N-O 2.77Å
220L98.1Very high83.4Confident4 Ų458.4 Ų58.42%0.02129%0.29CS..Hα-helixtrans-68.1-24.4178.7-63.2169000112.5I110 F123 K124 T125 L126 L192 F216 L241I110-L220 HydrophobicContact CD1-CD1 4.49Å; F123-L220 CarbonylContact C-O 3.6Å; F123-L220 WeakPolarHBondContact CA-O 3.3Å; F123-L220 HydrophobicContact CD1-CB 3.91Å; F123-L220 HydrophobicContact CD1-CD1 4.23Å; F123-L220 HydrophobicContact CE1-CB 4.09Å; F123-L220 HydrophobicContact CE1-CD1 3.7Å; F123-L220 HydrophobicContact CE1-CG 4.47Å; F123-L220 HydrophobicContact CZ-CD1 4.49Å; K124-L220 PolarHBondContact N-O 3.08Å; T125-L220 WeakPolarHBondContact CB-O 3.21Å; T125-L220 PolarHBondContact N-O 3.02Å; T125-L220 PolarHBondContact OG1-O 2.99Å; L126-L220 HydrophobicContact CB-CD2 4.29Å; L126-L220 PolarHBondContact N-O 3.01Å; L192-L220 HydrophobicContact CD1-CD1 4.39Å; L192-L220 HydrophobicContact CD1-CD2 4.19Å; F216-L220 HydrophobicContact CB-CD1 4.17Å; F216-L220 HydrophobicContact CB-CG 4.29Å; F216-L220 VanDerWaalsContact O-CG 3.32Å; F216-L220 WeakPolarHBondContact O-CG 3.23Å; F216-L220 PolarHBondContact O-N 3.17Å; L220-L241 HydrophobicContact CD2-CD1 3.97Å; L220-L241 HydrophobicContact CD2-CD2 3.99Å
221S95.7Very high82.8Confident10 Ų1058.9 Ų58.97%0.0730%0.298CS..  trans-105.5156.1-178.7-55.30000113.5N122 F123 T125 S217 L219 K237N122-S221 PolarHBondContact N-OG 2.91Å; N122-S221 WeakPolarHBondContact OD1-CB 3.46Å; F123-S221 PolarHBondContact N-OG 3.04Å; T125-S221 PolarHBondContact OG1-O 3.21Å; S217-S221 WeakPolarHBondContact O-CB 3.49Å; S217-S221 PolarHBondContact O-N 3.32Å; S217-S221 PolarHBondContact O-OG 3.28Å; L219-S221 VanDerWaalsContact C-N 3.26Å; L219-S221 PolarHBondContact O-N 3.22Å; S221-K237 PolarHBondContact O-NZ 2.98Å
222A90.2Very high82.5Confident5 Ų564.3 Ų64.34%0.04132%0.318CS..  trans-131.8145.1173.200000110.8N122 K124 L234N122-A222 PolarHBondContact ND2-O 2.85Å; N122-A222 PolarHBondContact OD1-N 3.07Å; N122-A222 PolarHBondContact OD1-O 2.92Å; K124-A222 HydrophobicContact CB-CB 4.18Å; K124-A222 HydrophobicContact CD-CB 4.39Å; K124-A222 HydrophobicContact CG-CB 4.4Å; A222-L234 HydrophobicContact CB-CD1 4.04Å
223K81.9Confident82.2Confident175 Ų17566 Ų6676%0.76133%0.326SS*.  trans-64.5146.1173.9-70.3-172.1177.5-176.80109.7T230K223-T230 WeakPolarHBondContact O-CG2 3.33Å
224S64.7Low82Confident81 Ų8164 Ų6457%0.56632%0.317SS*.  trans-82.4-13.2177.7430000113.8
225D55.4Low81.9Confident126 Ų12666.7 Ų66.767%0.67433%0.33SS*.SBendtrans-106.4113.7-158-55-24.3000112.2
226S53.2Low81.8Confident69 Ų6966.6 Ų66.648%0.48333%0.33SS..  trans95.9113.5-179.479.20000116.3Y228 T230S226-Y228 PolarHBondContact O-N 3.2Å; S226-T230 WeakPolarHBondContact O-CB 3.44Å; S226-T230 PolarHBondContact O-N 3.25Å; S226-T230 VanDerWaalsContact O-N 3.1Å; S226-T230 PolarHBondContact O-OG1 3.01Å
227K60.2Low81.7Confident196 Ų19666.9 Ų66.985%0.85233%0.331SS*.Hα-helixtrans-58-48.1-174-76.2-174.9177.5-179.70114S231K227-S231 PolarHBondContact O-N 3.4Å
228Y55.4Low81.8Confident215 Ų21567 Ų6784%0.84333%0.331SS*.Hα-helixtrans-71.7-51.5-172.9-75.1-75.7000113.2S226 T230 S231S226-Y228 PolarHBondContact O-N 3.2Å; Y228-T230 VanDerWaalsContact C-N 3.29Å; Y228-T230 PolarHBondContact O-N 3.5Å; Y228-S231 PolarHBondContact O-N 3.32Å
229N57.9Low81.9Confident93 Ų9364.6 Ų64.650%0.49732%0.32SS..Hα-helixtrans-68.5-31.7-179-157.62000111.6S231 I233N229-S231 VanDerWaalsContact C-N 3.3Å; N229-S231 PolarHBondContact O-N 3.16Å; N229-I233 WeakPolarHBondContact O-CB 3.41Å; N229-I233 WeakPolarHBondContact O-CG1 3.41Å; N229-I233 PolarHBondContact O-N 3.26Å
230T67.6Low81.9Confident20 Ų2064.6 Ų64.612%0.12332%0.32CS..Hα-helixtrans-63-34.8175.5-60.90000112.2K223 S226 Y228 L234K223-T230 WeakPolarHBondContact O-CG2 3.33Å; S226-T230 WeakPolarHBondContact O-CB 3.44Å; S226-T230 PolarHBondContact O-N 3.25Å; S226-T230 VanDerWaalsContact O-N 3.1Å; S226-T230 PolarHBondContact O-OG1 3.01Å; Y228-T230 VanDerWaalsContact C-N 3.29Å; Y228-T230 PolarHBondContact O-N 3.5Å; T230-L234 WeakPolarHBondContact O-CB 3.5Å; T230-L234 PolarHBondContact O-N 3.49Å
231S83.8Confident82Confident80 Ų8064.4 Ų64.456%0.55932%0.319SS*.Hα-helixtrans-66-48.5-178.5-168.10000112.6K227 Y228 N229 L234 H235K227-S231 PolarHBondContact O-N 3.4Å; Y228-S231 PolarHBondContact O-N 3.32Å; N229-S231 VanDerWaalsContact C-N 3.3Å; N229-S231 PolarHBondContact O-N 3.16Å; S231-L234 PolarHBondContact O-N 2.78Å; S231-H235 WeakPolarHBondContact O-CB 3.43Å; S231-H235 PolarHBondContact O-N 2.9Å
232R89.1Confident82.1Confident136 Ų13665.7 Ų65.751%0.51332%0.322SS..Hα-helixtrans-64.7-46.8178.8-69.6167.972.1132.2-5.7112L234 H235 V236 D365R232-L234 VanDerWaalsContact C-N 3.31Å; R232-L234 PolarHBondContact O-N 3.25Å; R232-H235 PolarHBondContact O-N 3.29Å; R232-V236 PolarHBondContact O-N 2.76Å; R232-D365 WeakPolarHBondContact CB-OD1 3.46Å; R232-D365 VanDerWaalsContact CZ-CG 3.46Å; R232-D365 IonicContact CZ-OD1 3.25Å; R232-D365 IonicContact CZ-OD2 3.58Å; R232-D365 IonicContact NE-OD1 3.81Å; R232-D365 PolarHBondContact NE-OD1 3.32Å; R232-D365 IonicContact NE-OD2 2.81Å; R232-D365 IonicContact NH2-OD1 2.59Å; R232-D365 IonicContact NH2-OD2 2.69Å; R232-D365 PolarHBondContact NH2-OD2 3.28Å
233I90.9Very high82.5Confident46 Ų4665.5 Ų65.524%0.23632%0.32CS..Hα-helixtrans-61.2-42.5177.1-67.6171.3000110.9N229 K237N229-I233 WeakPolarHBondContact O-CB 3.41Å; N229-I233 WeakPolarHBondContact O-CG1 3.41Å; N229-I233 PolarHBondContact O-N 3.26Å; I233-K237 HydrophobicContact CG2-CD 4.26Å; I233-K237 WeakPolarHBondContact O-CB 3.29Å; I233-K237 VanDerWaalsContact O-CG 3.31Å; I233-K237 WeakPolarHBondContact O-CG 3.4Å; I233-K237 PolarHBondContact O-N 3.48Å
234L93.2Very high83.3Confident19 Ų1957.3 Ų57.310%0.09929%0.285CS..Hα-helixtrans-64.1-45.8178178.165.6000111.2T125 Q128 A222 T230 S231 R232 K237 I238T125-L234 HydrophobicContact CG2-CD1 4.4Å; Q128-L234 HydrophobicContact CB-CD1 4.2Å; Q128-L234 HydrophobicContact CB-CD2 4.2Å; Q128-L234 HydrophobicContact CG-CD1 4.28Å; Q128-L234 HydrophobicContact CG-CD2 3.88Å; A222-L234 HydrophobicContact CB-CD1 4.04Å; T230-L234 WeakPolarHBondContact O-CB 3.5Å; T230-L234 PolarHBondContact O-N 3.49Å; S231-L234 PolarHBondContact O-N 2.78Å; R232-L234 VanDerWaalsContact C-N 3.31Å; R232-L234 PolarHBondContact O-N 3.25Å; L234-K237 PolarHBondContact O-N 2.85Å; L234-I238 HydrophobicContact CD1-CD1 4.18Å; L234-I238 HydrophobicContact CD1-CG1 4.39Å; L234-I238 HydrophobicContact CG-CD1 3.96Å; L234-I238 WeakPolarHBondContact O-CB 3.47Å; L234-I238 WeakPolarHBondContact O-CG1 3.38Å; L234-I238 PolarHBondContact O-N 2.97Å
235H94.6Very high85Confident59 Ų5953.7 Ų53.727%0.27326%0.259SS..Hα-helixtrans-55.5-53.7176.7172.463.5000111.4S231 R232 K237 I238 E239 D365 F367S231-H235 WeakPolarHBondContact O-CB 3.43Å; S231-H235 PolarHBondContact O-N 2.9Å; R232-H235 PolarHBondContact O-N 3.29Å; H235-K237 VanDerWaalsContact C-N 3.3Å; H235-K237 PolarHBondContact O-N 3.2Å; H235-I238 WeakPolarHBondContact O-CA 3.31Å; H235-I238 WeakPolarHBondContact O-CB 3.34Å; H235-I238 PolarHBondContact O-N 3.01Å; H235-E239 IonicContact CE1-OE1 3.61Å; H235-E239 WeakPolarHBondContact O-CG 3.46Å; H235-E239 PolarHBondContact O-N 3.05Å; H235-D365 PolarHBondContact CD2-O 2.79Å; H235-F367 PolarHBondContact NE2-O 2.82Å
236V96.1Very high87Confident2 Ų247.8 Ų47.81%0.01223%0.228CC..Hα-helixtrans-56.7-42.1177.8159.80000112.5R232 E239 K240 C320 A364R232-V236 PolarHBondContact O-N 2.76Å; V236-E239 PolarHBondContact O-N 2.83Å; V236-K240 WeakPolarHBondContact O-CG 3.31Å; V236-K240 PolarHBondContact O-N 2.92Å; V236-C320 HydrophobicContact CB-CB 4.46Å; V236-C320 HydrophobicContact CG1-CB 3.42Å; V236-C320 VanDerWaalsContact CG1-CB 3.42Å; V236-C320 HydrophobicContact CG2-CB 4.23Å; V236-A364 WeakPolarHBondContact CG2-O 3.49Å
237K97.5Very high89.2Confident7 Ų744.5 Ų44.53%0.0321%0.205CC..Hα-helixtrans-66.8-38.7177.1-74.1-175.9179.2-162.80112.3T125 H218 L219 S221 I233 L234 H235 L241 N317T125-K237 HydrophobicContact CG2-CB 3.55Å; H218-K237 PolarHBondContact O-NZ 2.98Å; L219-K237 HydrophobicContact CD1-CB 4.19Å; L219-K237 HydrophobicContact CD1-CG 4.24Å; S221-K237 PolarHBondContact O-NZ 2.98Å; I233-K237 HydrophobicContact CG2-CD 4.26Å; I233-K237 WeakPolarHBondContact O-CB 3.29Å; I233-K237 VanDerWaalsContact O-CG 3.31Å; I233-K237 WeakPolarHBondContact O-CG 3.4Å; I233-K237 PolarHBondContact O-N 3.48Å; L234-K237 PolarHBondContact O-N 2.85Å; H235-K237 VanDerWaalsContact C-N 3.3Å; H235-K237 PolarHBondContact O-N 3.2Å; K237-L241 VanDerWaalsContact O-CB 3.24Å; K237-L241 WeakPolarHBondContact O-CB 3.23Å; K237-L241 PolarHBondContact O-N 3.12Å; K237-N317 WeakPolarHBondContact CE-O 3.5Å; K237-N317 WeakPolarHBondContact CE-OD1 3.42Å; K237-N317 WeakPolarHBondContact CG-O 3.41Å; K237-N317 PolarHBondContact NZ-OD1 2.82Å; K237-N317 VanDerWaalsContact NZ-OD1 3.14Å
238I98.1Very high91.1Very high4 Ų435.2 Ų35.22%0.02116%0.164CC..Hα-helixtrans-59.6-51.4174.1-78.9172.7000109.8T125 Q128 L129 L132 L134 L234 H235 K240 L241 R242T125-I238 HydrophobicContact CG2-CG1 3.9Å; Q128-I238 HydrophobicContact CB-CD1 3.94Å; L129-I238 HydrophobicContact CB-CG1 4.43Å; L129-I238 HydrophobicContact CD1-CG2 3.75Å; L132-I238 HydrophobicContact CD1-CD1 4.21Å; L134-I238 HydrophobicContact CD1-CG2 3.85Å; L234-I238 HydrophobicContact CD1-CD1 4.18Å; L234-I238 HydrophobicContact CD1-CG1 4.39Å; L234-I238 HydrophobicContact CG-CD1 3.96Å; L234-I238 WeakPolarHBondContact O-CB 3.47Å; L234-I238 WeakPolarHBondContact O-CG1 3.38Å; L234-I238 PolarHBondContact O-N 2.97Å; H235-I238 WeakPolarHBondContact O-CA 3.31Å; H235-I238 WeakPolarHBondContact O-CB 3.34Å; H235-I238 PolarHBondContact O-N 3.01Å; I238-K240 PolarHBondContact O-N 3.17Å; I238-L241 CarbonylContact O-C 3.55Å; I238-L241 WeakPolarHBondContact O-CB 3.36Å; I238-L241 PolarHBondContact O-N 2.73Å; I238-L241 VanDerWaalsContact O-N 3.09Å; I238-R242 WeakPolarHBondContact O-CG 3.34Å; I238-R242 PolarHBondContact O-N 3.4Å
239E98.5Very high93.1Very high7 Ų726.4 Ų26.43%0.03313%0.131CC..Hα-helixtrans-65.5-39.6-176.1-64.1-57.9137.600112.3H235 V236 R242 C243 F367 W369H235-E239 IonicContact CE1-OE1 3.61Å; H235-E239 WeakPolarHBondContact O-CG 3.46Å; H235-E239 PolarHBondContact O-N 3.05Å; V236-E239 PolarHBondContact O-N 2.83Å; E239-R242 WeakPolarHBondContact O-CB 3.43Å; E239-R242 PolarHBondContact O-N 3.25Å; E239-R242 IonicContact OE1-NH1 2.75Å; E239-R242 PolarHBondContact OE1-NH1 3.35Å; E239-R242 VanDerWaalsContact OE1-NH1 3.13Å; E239-R242 WeakPolarHBondContact OE2-CD 3.25Å; E239-R242 IonicContact OE2-CZ 3.61Å; E239-R242 IonicContact OE2-NH1 2.75Å; E239-R242 PolarHBondContact OE2-NH1 3.33Å; E239-C243 PolarHBondContact O-N 2.82Å; E239-C243 PolarHBondContact O-SG 3.01Å; E239-F367 HydrophobicContact CB-CD1 3.94Å; E239-F367 HydrophobicContact CB-CE1 4.1Å; E239-F367 WeakPolarHBondContact CB-O 3.44Å; E239-F367 WeakPolarHBondContact CG-O 3.44Å; E239-W369 PolarHBondContact OE2-N 3.38Å
240K98.6Very high95Very high2 Ų224.9 Ų24.91%0.00912%0.118CC..Hα-helixtrans-63.9-42.3170.5-70.5-174.1-63.1178.90112.3L219 V236 I238 R242 C243 I244 G314 V315 N317 G319 A328 F367L219-K240 HydrophobicContact CD1-CB 4.17Å; V236-K240 WeakPolarHBondContact O-CG 3.31Å; V236-K240 PolarHBondContact O-N 2.92Å; I238-K240 PolarHBondContact O-N 3.17Å; K240-R242 VanDerWaalsContact C-N 3.27Å; K240-R242 PolarHBondContact O-N 2.74Å; K240-C243 WeakPolarHBondContact O-CB 3.12Å; K240-C243 PolarHBondContact O-N 2.69Å; K240-C243 VanDerWaalsContact O-N 3.15Å; K240-I244 WeakPolarHBondContact O-CG1 3.32Å; K240-I244 PolarHBondContact O-N 2.91Å; K240-I244 VanDerWaalsContact O-N 3.14Å; K240-G314 PolarHBondContact NZ-O 3.43Å; K240-V315 HydrophobicContact CD-CG2 4.41Å; K240-V315 WeakPolarHBondContact CE-O 3.24Å; K240-V315 PolarHBondContact NZ-O 3.48Å; K240-N317 PolarHBondContact NZ-O 2.99Å; K240-G319 PolarHBondContact NZ-O 2.94Å; K240-A328 HydrophobicContact CB-CB 4.34Å; K240-A328 HydrophobicContact CG-CB 3.94Å; K240-F367 HydrophobicContact CG-CE1 4.26Å
241L98.7Very high96.5Very high0 Ų024 Ų240%011%0.113CC..Hα-helixtrans-63.2-34.7177.1-176.157000111.6T125 L126 L129 L220 K237 I238 C243 I244 L245T125-L241 HydrophobicContact CG2-CD2 4.23Å; L126-L241 HydrophobicContact CD1-CD2 4.43Å; L129-L241 HydrophobicContact CD2-CD2 3.75Å; L129-L241 HydrophobicContact CD2-CG 3.9Å; L220-L241 HydrophobicContact CD2-CD1 3.97Å; L220-L241 HydrophobicContact CD2-CD2 3.99Å; K237-L241 VanDerWaalsContact O-CB 3.24Å; K237-L241 WeakPolarHBondContact O-CB 3.23Å; K237-L241 PolarHBondContact O-N 3.12Å; I238-L241 CarbonylContact O-C 3.55Å; I238-L241 WeakPolarHBondContact O-CB 3.36Å; I238-L241 PolarHBondContact O-N 2.73Å; I238-L241 VanDerWaalsContact O-N 3.09Å; L241-C243 PolarHBondContact O-N 3.34Å; L241-I244 PolarHBondContact O-N 2.82Å; L241-L245 HydrophobicContact CD1-CD2 4.28Å; L241-L245 HydrophobicContact CD1-CG 4.18Å; L241-L245 HydrophobicContact CG-CD1 4.46Å; L241-L245 HydrophobicContact CG-CG 4.31Å; L241-L245 WeakPolarHBondContact O-CG 3.45Å; L241-L245 PolarHBondContact O-N 3.28Å
242R98.8Very high97.2Very high38 Ų3822.1 Ų22.114%0.14310%0.096CC..Hα-helixtrans-58.9-45.8171.9-67.1171.481.4-158.4-2.1111.3L129 L134 I238 E239 K240 I244 L245 H246 W369L129-R242 HydrophobicContact CD1-CG 3.54Å; L134-R242 WeakPolarHBondContact O-CD 3.21Å; L134-R242 WeakPolarHBondContact O-CG 3.48Å; L134-R242 PolarHBondContact O-NE 2.93Å; I238-R242 WeakPolarHBondContact O-CG 3.34Å; I238-R242 PolarHBondContact O-N 3.4Å; E239-R242 WeakPolarHBondContact O-CB 3.43Å; E239-R242 PolarHBondContact O-N 3.25Å; E239-R242 IonicContact OE1-NH1 2.75Å; E239-R242 PolarHBondContact OE1-NH1 3.35Å; E239-R242 VanDerWaalsContact OE1-NH1 3.13Å; E239-R242 WeakPolarHBondContact OE2-CD 3.25Å; E239-R242 IonicContact OE2-CZ 3.61Å; E239-R242 IonicContact OE2-NH1 2.75Å; E239-R242 PolarHBondContact OE2-NH1 3.33Å; K240-R242 VanDerWaalsContact C-N 3.27Å; K240-R242 PolarHBondContact O-N 2.74Å; R242-I244 VanDerWaalsContact C-N 3.32Å; R242-I244 PolarHBondContact O-N 2.76Å; R242-L245 PolarHBondContact O-N 3.05Å; R242-H246 VanDerWaalsContact O-CB 3.29Å; R242-H246 WeakPolarHBondContact O-CB 3.38Å; R242-H246 PolarHBondContact O-N 3.44Å; R242-W369 HydrophobicContact CB-CB 4.06Å; R242-W369 HydrophobicContact CB-CD2 4.44Å; R242-W369 HydrophobicContact CB-CG 4.14Å; R242-W369 VanDerWaalsContact NH2-CE3 3.3Å
243C98.9Very high97.6Very high0 Ų022 Ų220%010%0.101CC..Hα-helixtrans-57.7-44.6175.7-51.80000111.9E239 K240 L241 H246 Y247 A328 W369E239-C243 PolarHBondContact O-N 2.82Å; E239-C243 PolarHBondContact O-SG 3.01Å; K240-C243 WeakPolarHBondContact O-CB 3.12Å; K240-C243 PolarHBondContact O-N 2.69Å; K240-C243 VanDerWaalsContact O-N 3.15Å; L241-C243 PolarHBondContact O-N 3.34Å; C243-H246 PolarHBondContact O-N 3.45Å; C243-Y247 PolarHBondContact O-N 2.73Å; C243-A328 HydrophobicContact CB-CB 4.23Å; C243-A328 WeakPolarHBondContact CB-O 3.49Å; C243-W369 VanDerWaalsContact SG-CD1 3.54Å
244I98.9Very high97.8Very high4 Ų427.7 Ų27.72%0.02112%0.124CC..Hα-helixtrans-64.8-45.6178.9-61.6-55000112.2F216 L219 K240 L241 R242 H246 Y247 F248 P331 L334F216-I244 HydrophobicContact CD2-CG2 4.31Å; F216-I244 HydrophobicContact CE2-CG1 4.49Å; F216-I244 HydrophobicContact CE2-CG2 3.7Å; L219-I244 HydrophobicContact CD2-CG1 4.32Å; K240-I244 WeakPolarHBondContact O-CG1 3.32Å; K240-I244 PolarHBondContact O-N 2.91Å; K240-I244 VanDerWaalsContact O-N 3.14Å; L241-I244 PolarHBondContact O-N 2.82Å; R242-I244 VanDerWaalsContact C-N 3.32Å; R242-I244 PolarHBondContact O-N 2.76Å; I244-H246 VanDerWaalsContact C-N 3.33Å; I244-Y247 WeakPolarHBondContact O-CB 3.17Å; I244-Y247 PolarHBondContact O-N 3.35Å; I244-F248 HydrophobicContact CG2-CD2 4.05Å; I244-F248 HydrophobicContact CG2-CE2 3.74Å; I244-F248 VanDerWaalsContact O-CD2 3.23Å; I244-F248 WeakPolarHBondContact O-CD2 3.4Å; I244-F248 PolarHBondContact O-N 3.41Å; I244-F248 VanDerWaalsContact O-N 3.16Å; I244-P331 HydrophobicContact CD1-CB 3.83Å; I244-P331 HydrophobicContact CD1-CG 3.85Å; I244-L334 HydrophobicContact CD1-CD1 3.47Å; I244-L334 VanDerWaalsContact CD1-CD1 3.47Å
245L98.9Very high98Very high5 Ų530.9 Ų30.93%0.02614%0.138CC..Hα-helixtrans-67.1-37.8179.6-65.8-169.5000111.5L129 I135 P136 F143 L241 R242 F248 H249L129-L245 HydrophobicContact CD2-CD1 3.6Å; I135-L245 HydrophobicContact CG1-CD1 4.39Å; I135-L245 HydrophobicContact CG2-CD1 4.43Å; P136-L245 HydrophobicContact CG-CB 4.06Å; F143-L245 HydrophobicContact CD2-CD1 4.41Å; F143-L245 HydrophobicContact CE2-CD1 4.17Å; F143-L245 HydrophobicContact CE2-CD2 3.75Å; F143-L245 HydrophobicContact CE2-CG 4.49Å; F143-L245 HydrophobicContact CZ-CD1 4.42Å; F143-L245 HydrophobicContact CZ-CD2 4.13Å; L241-L245 HydrophobicContact CD1-CD2 4.28Å; L241-L245 HydrophobicContact CD1-CG 4.18Å; L241-L245 HydrophobicContact CG-CD1 4.46Å; L241-L245 HydrophobicContact CG-CG 4.31Å; L241-L245 WeakPolarHBondContact O-CG 3.45Å; L241-L245 PolarHBondContact O-N 3.28Å; R242-L245 PolarHBondContact O-N 3.05Å; L245-F248 PolarHBondContact O-N 3.38Å; L245-H249 PolarHBondContact O-N 3.42Å
246H98.9Very high98.2Very high1 Ų128.7 Ų28.71%0.00513%0.129CC..Hα-helixtrans-62.9-42.6174.5-178.962.9000112.1P136 D137 R242 C243 I244 F248 H249 R250 Y357 W369 D372P136-H246 HydrophobicContact CB-CB 4.26Å; P136-H246 HydrophobicContact CG-CB 3.95Å; D137-H246 VanDerWaalsContact CG-ND1 3.28Å; D137-H246 IonicContact OD1-CE1 3.26Å; D137-H246 PolarHBondContact OD1-CE1 3.14Å; D137-H246 IonicContact OD1-ND1 3.85Å; D137-H246 PolarHBondContact OD1-ND1 3.06Å; D137-H246 WeakPolarHBondContact OD2-CA 3.22Å; D137-H246 IonicContact OD2-CE1 3.39Å; D137-H246 IonicContact OD2-CG 2.8Å; D137-H246 IonicContact OD2-ND1 3.02Å; D137-H246 PolarHBondContact OD2-ND1 3.03Å; R242-H246 VanDerWaalsContact O-CB 3.29Å; R242-H246 WeakPolarHBondContact O-CB 3.38Å; R242-H246 PolarHBondContact O-N 3.44Å; C243-H246 PolarHBondContact O-N 3.45Å; I244-H246 VanDerWaalsContact C-N 3.33Å; H246-F248 VanDerWaalsContact C-N 3.33Å; H246-F248 PolarHBondContact O-N 3.26Å; H246-H249 WeakPolarHBondContact O-CB 3.22Å; H246-H249 PolarHBondContact O-N 3.1Å; H246-R250 WeakPolarHBondContact NE2-CG 3.39Å; H246-R250 WeakPolarHBondContact O-CG 3.34Å; H246-R250 PolarHBondContact O-N 3.41Å; H246-Y357 PolarHBondContact CD2-O 2.84Å; H246-Y357 PolarHBondContact NE2-O 3.11Å; H246-Y357 VanDerWaalsContact NE2-O 3.16Å; H246-W369 HydrophobicContact CB-CZ2 4.27Å; H246-W369 AromaticContact CG-CZ2 3.9Å; H246-D372 IonicContact CE1-OD1 3.42Å; H246-D372 WeakPolarHBondContact NE2-CA 3.18Å; H246-D372 WeakPolarHBondContact NE2-CB 3.35Å; H246-D372 IonicContact NE2-OD1 2.68Å; H246-D372 PolarHBondContact NE2-OD1 3.29Å
247Y98.9Very high98.2Very high1 Ų130.4 Ų30.40%0.00414%0.139CC..Hα-helixtrans-53.8-49171.7162.1-102.4000112.1A185 L188 C243 I244 H249 R250 V251 P331 E332 Y357A185-Y247 VanDerWaalsContact CA-OH 3.22Å; A185-Y247 WeakPolarHBondContact CA-OH 3.29Å; A185-Y247 HydrophobicContact CB-CE1 4.5Å; A185-Y247 WeakPolarHBondContact CB-OH 3.38Å; A185-Y247 PolarHBondContact N-OH 3.21Å; L188-Y247 HydrophobicContact CB-CE1 4.47Å; L188-Y247 HydrophobicContact CD1-CE1 3.79Å; C243-Y247 PolarHBondContact O-N 2.73Å; I244-Y247 WeakPolarHBondContact O-CB 3.17Å; I244-Y247 PolarHBondContact O-N 3.35Å; Y247-H249 PolarHBondContact O-N 2.59Å; Y247-R250 PolarHBondContact O-N 3.49Å; Y247-V251 HydrophobicContact CD2-CG1 3.93Å; Y247-V251 HydrophobicContact CE2-CG1 3.51Å; Y247-V251 WeakPolarHBondContact O-CG2 3.41Å; Y247-V251 PolarHBondContact O-N 3.02Å; Y247-P331 HydrophobicContact CD1-CB 3.99Å; Y247-P331 HydrophobicContact CD2-CB 4.15Å; Y247-P331 HydrophobicContact CD2-CG 4.37Å; Y247-P331 HydrophobicContact CE1-CB 4.49Å; Y247-P331 HydrophobicContact CG-CB 3.79Å; Y247-P331 HydrophobicContact CG-CG 3.97Å; Y247-E332 HydrophobicContact CE2-CG 3.85Å; Y247-Y357 AromaticContact CD2-CD1 3.92Å; Y247-Y357 HydrophobicContact CD2-CD1 3.92Å; Y247-Y357 AromaticContact CD2-CD2 3.5Å; Y247-Y357 HydrophobicContact CD2-CD2 3.5Å; Y247-Y357 AromaticContact CD2-CE1 3.82Å; Y247-Y357 HydrophobicContact CD2-CE1 3.82Å; Y247-Y357 AromaticContact CD2-CE2 3.38Å; Y247-Y357 HydrophobicContact CD2-CE2 3.38Å; Y247-Y357 AromaticContact CD2-CG 3.76Å; Y247-Y357 HydrophobicContact CD2-CG 3.76Å; Y247-Y357 AromaticContact CD2-CZ 3.56Å; Y247-Y357 HydrophobicContact CE2-CD2 4.07Å; Y247-Y357 HydrophobicContact CE2-CE1 4.14Å; Y247-Y357 AromaticContact CE2-CE2 3.45Å; Y247-Y357 HydrophobicContact CE2-CE2 3.45Å; Y247-Y357 VanDerWaalsContact CE2-CE2 3.45Å; Y247-Y357 AromaticContact CE2-CZ 3.5Å
248F98.9Very high98.2Very high1 Ų130.1 Ų30.10%0.00414%0.138CC..Hα-helixtrans-62.6-42.1177.6-78.1-61.5000112.6I151 L154 L188 A189 L192 I244 L245 H246 R250 V251 L252I151-F248 HydrophobicContact CD1-CB 3.56Å; I151-F248 HydrophobicContact CD1-CD1 4.33Å; I151-F248 HydrophobicContact CD1-CD2 3.87Å; I151-F248 HydrophobicContact CD1-CG 3.66Å; I151-F248 HydrophobicContact CG1-CB 3.71Å; I151-F248 HydrophobicContact CG1-CD1 3.95Å; I151-F248 HydrophobicContact CG1-CD2 4.39Å; I151-F248 HydrophobicContact CG1-CG 3.76Å; I151-F248 HydrophobicContact CG2-CD1 4.07Å; I151-F248 HydrophobicContact CG2-CE1 4.06Å; I151-F248 HydrophobicContact CG2-CG 4.34Å; I151-F248 HydrophobicContact CG2-CZ 4.31Å; L154-F248 HydrophobicContact CD1-CD1 4.14Å; L154-F248 HydrophobicContact CD1-CE1 4.46Å; L188-F248 HydrophobicContact CB-CE1 4.45Å; L188-F248 HydrophobicContact CB-CZ 3.98Å; A189-F248 HydrophobicContact CB-CE1 3.9Å; A189-F248 HydrophobicContact CB-CZ 4.27Å; L192-F248 HydrophobicContact CB-CE2 4.32Å; L192-F248 HydrophobicContact CD2-CD2 4.33Å; L192-F248 HydrophobicContact CD2-CE2 3.96Å; I244-F248 HydrophobicContact CG2-CD2 4.05Å; I244-F248 HydrophobicContact CG2-CE2 3.74Å; I244-F248 VanDerWaalsContact O-CD2 3.23Å; I244-F248 WeakPolarHBondContact O-CD2 3.4Å; I244-F248 PolarHBondContact O-N 3.41Å; I244-F248 VanDerWaalsContact O-N 3.16Å; L245-F248 PolarHBondContact O-N 3.38Å; H246-F248 VanDerWaalsContact C-N 3.33Å; H246-F248 PolarHBondContact O-N 3.26Å; F248-R250 VanDerWaalsContact C-N 3.34Å; F248-R250 PolarHBondContact O-N 2.75Å; F248-V251 HydrophobicContact CD1-CG2 4.46Å; F248-V251 WeakPolarHBondContact O-CG2 3.31Å; F248-L252 VanDerWaalsContact O-CB 3.28Å; F248-L252 WeakPolarHBondContact O-CB 3.5Å; F248-L252 VanDerWaalsContact O-CD1 3.32Å; F248-L252 WeakPolarHBondContact O-CD1 3.35Å; F248-L252 WeakPolarHBondContact O-CG 3.33Å; F248-L252 PolarHBondContact O-N 2.83Å
249H98.7Very high98.2Very high30 Ų3029.9 Ų29.914%0.13914%0.137CC..Hα-helixtrans-55.6-51.3174.4177.577.2000111D137 T147 L245 H246 Y247 L252 Q253D137-H249 HydrophobicContact CB-CB 4.08Å; D137-H249 VanDerWaalsContact CB-CD2 3.46Å; D137-H249 WeakPolarHBondContact CB-CD2 3.33Å; D137-H249 VanDerWaalsContact CB-CG 3.43Å; D137-H249 VanDerWaalsContact CG-CG 3.48Å; D137-H249 IonicContact OD1-CD2 3.52Å; D137-H249 WeakPolarHBondContact OD2-CB 3.4Å; D137-H249 IonicContact OD2-CD2 3.63Å; D137-H249 IonicContact OD2-CG 3.54Å; T147-H249 HydrophobicContact CG2-CB 4.27Å; L245-H249 PolarHBondContact O-N 3.42Å; H246-H249 WeakPolarHBondContact O-CB 3.22Å; H246-H249 PolarHBondContact O-N 3.1Å; Y247-H249 PolarHBondContact O-N 2.59Å; H249-L252 PolarHBondContact O-N 3.12Å; H249-Q253 PolarHBondContact CE1-NE2 3.49Å; H249-Q253 VanDerWaalsContact CE1-NE2 3.28Å; H249-Q253 WeakPolarHBondContact O-CG 3.46Å; H249-Q253 PolarHBondContact O-N 3.02Å
250R98.1Very high98.2Very high60 Ų6029.6 Ų29.623%0.22614%0.136CC..Hα-helixtrans-59.4-51.1-179.2-75.3-72.5-63.3-146.9-12.2113H246 Y247 F248 L252 Q253 K254 Y357 D372H246-R250 WeakPolarHBondContact NE2-CG 3.39Å; H246-R250 WeakPolarHBondContact O-CG 3.34Å; H246-R250 PolarHBondContact O-N 3.41Å; Y247-R250 PolarHBondContact O-N 3.49Å; F248-R250 VanDerWaalsContact C-N 3.34Å; F248-R250 PolarHBondContact O-N 2.75Å; R250-L252 PolarHBondContact O-N 2.67Å; R250-Q253 PolarHBondContact O-N 2.85Å; R250-K254 PolarHBondContact O-N 3Å; R250-Y357 HydrophobicContact CB-CD1 3.8Å; R250-Y357 HydrophobicContact CB-CE1 4.12Å; R250-Y357 HydrophobicContact CG-CD1 4.25Å; R250-D372 VanDerWaalsContact CD-OD1 3.28Å; R250-D372 WeakPolarHBondContact CD-OD1 3.37Å; R250-D372 IonicContact CZ-OD1 2.97Å; R250-D372 IonicContact CZ-OD2 3.05Å; R250-D372 IonicContact NE-OD1 3.48Å; R250-D372 PolarHBondContact NE-OD1 2.81Å; R250-D372 IonicContact NH1-OD1 2.71Å; R250-D372 PolarHBondContact NH1-OD1 2.92Å; R250-D372 IonicContact NH1-OD2 2.75Å; R250-D372 PolarHBondContact NH1-OD2 3.14Å; R250-D372 IonicContact NH2-OD1 3.19Å; R250-D372 IonicContact NH2-OD2 3.55Å
251V98.5Very high98.2Very high2 Ų229.5 Ų29.51%0.01214%0.135CC..Hα-helixtrans-66-26.2-179.7-58.40000112.1L154 A185 Y247 F248 K254 F255 P256 Y357L154-V251 HydrophobicContact CD1-CG2 4.22Å; A185-V251 HydrophobicContact CB-CB 4.46Å; A185-V251 HydrophobicContact CB-CG2 4.03Å; Y247-V251 HydrophobicContact CD2-CG1 3.93Å; Y247-V251 HydrophobicContact CE2-CG1 3.51Å; Y247-V251 WeakPolarHBondContact O-CG2 3.41Å; Y247-V251 PolarHBondContact O-N 3.02Å; F248-V251 HydrophobicContact CD1-CG2 4.46Å; F248-V251 WeakPolarHBondContact O-CG2 3.31Å; V251-K254 CarbonylContact O-C 3.55Å; V251-K254 VanDerWaalsContact O-O 3.14Å; V251-F255 WeakPolarHBondContact O-CA 3.36Å; V251-F255 VanDerWaalsContact O-CD1 3.32Å; V251-F255 WeakPolarHBondContact O-CD1 3.38Å; V251-F255 PolarHBondContact O-N 2.81Å; V251-P256 HydrophobicContact CB-CG 4.48Å; V251-P256 HydrophobicContact CG1-CG 4.22Å; V251-Y357 HydrophobicContact CG1-CE1 3.89Å
252L98.6Very high98.3Very high41 Ų4129.5 Ų29.522%0.21514%0.135CC..Hα-helixtrans-80.9-28.9176.8-71.5168.9000113.6T147 I151 L154 F248 H249 R250 K254 F255T147-L252 HydrophobicContact CG2-CD1 4Å; T147-L252 VanDerWaalsContact O-CD1 3.31Å; T147-L252 WeakPolarHBondContact O-CD1 3.5Å; I151-L252 HydrophobicContact CG1-CD1 3.89Å; L154-L252 HydrophobicContact CD1-CD2 3.71Å; L154-L252 HydrophobicContact CD1-CG 4.11Å; L154-L252 HydrophobicContact CG-CD2 3.95Å; F248-L252 VanDerWaalsContact O-CB 3.28Å; F248-L252 WeakPolarHBondContact O-CB 3.5Å; F248-L252 VanDerWaalsContact O-CD1 3.32Å; F248-L252 WeakPolarHBondContact O-CD1 3.35Å; F248-L252 WeakPolarHBondContact O-CG 3.33Å; F248-L252 PolarHBondContact O-N 2.83Å; H249-L252 PolarHBondContact O-N 3.12Å; R250-L252 PolarHBondContact O-N 2.67Å; L252-K254 VanDerWaalsContact C-N 3.3Å; L252-F255 HydrophobicContact CD2-CE1 4.35Å
253Q97.1Very high98.2Very high133 Ų13327.7 Ų27.762%0.62113%0.129SC*.Hα-helixtrans-64-40172.4-69-46.3-6100111.3H249 R250H249-Q253 PolarHBondContact CE1-NE2 3.49Å; H249-Q253 VanDerWaalsContact CE1-NE2 3.28Å; H249-Q253 WeakPolarHBondContact O-CG 3.46Å; H249-Q253 PolarHBondContact O-N 3.02Å; R250-Q253 PolarHBondContact O-N 2.85Å
254K95.9Very high98.2Very high165 Ų16527.7 Ų27.772%0.71713%0.129SC*.SBendtrans-150.2116.8175.8-177.4179.3178.4-1780109.4R250 V251 L252R250-K254 PolarHBondContact O-N 3Å; V251-K254 CarbonylContact O-C 3.55Å; V251-K254 VanDerWaalsContact O-O 3.14Å; L252-K254 VanDerWaalsContact C-N 3.3Å
255F97.6Very high98Very high87 Ų8727.7 Ų27.738%0.38213%0.128SC..  trans-56.2126.9176.2-73.3-14.1000110.7P48 L154 L182 V251 L252P48-F255 HydrophobicContact CG-CB 3.58Å; P48-F255 HydrophobicContact CG-CD2 4.44Å; L154-F255 HydrophobicContact CD2-CE1 4.25Å; L182-F255 HydrophobicContact CD1-CB 4.35Å; L182-F255 HydrophobicContact CD1-CD1 3.77Å; L182-F255 HydrophobicContact CD1-CD2 4.11Å; L182-F255 HydrophobicContact CD1-CE1 4.03Å; L182-F255 HydrophobicContact CD1-CE2 4.34Å; L182-F255 HydrophobicContact CD1-CG 3.84Å; L182-F255 HydrophobicContact CD1-CZ 4.31Å; L182-F255 HydrophobicContact CD2-CD2 3.97Å; L182-F255 HydrophobicContact CD2-CE2 4.4Å; L182-F255 HydrophobicContact CD2-CG 4.31Å; V251-F255 WeakPolarHBondContact O-CA 3.36Å; V251-F255 VanDerWaalsContact O-CD1 3.32Å; V251-F255 WeakPolarHBondContact O-CD1 3.38Å; V251-F255 PolarHBondContact O-N 2.81Å; L252-F255 HydrophobicContact CD2-CE1 4.35Å
256P97.1Very high97.9Very high13 Ų1328.3 Ų28.38%0.08413%0.133CC..  trans-69.9143.1-176.729.7-36.2000110.3Q181 V251Q181-P256 HydrophobicContact CB-CB 3.56Å; Q181-P256 HydrophobicContact CB-CG 3.37Å; Q181-P256 HydrophobicContact CG-CB 4.35Å; V251-P256 HydrophobicContact CB-CG 4.48Å; V251-P256 HydrophobicContact CG1-CG 4.22Å
257T97.1Very high97.8Very high37 Ų3728.5 Ų28.523%0.22713%0.134CC..  trans-101-3.5-175.4650000113.2P49P49-T257 WeakPolarHBondContact CD-O 3.5Å
258G97.6Very high97.4Very high1 Ų130.3 Ų30.31%0.0115%0.153CC..  trans-88-177.3-176.900000114.9S180 Q181 G386S180-G258 WeakPolarHBondContact CA-O 3.31Å; Q181-G258 PolarHBondContact N-O 2.97Å; Q181-G258 VanDerWaalsContact OE1-CA 3.24Å; G258-G386 WeakPolarHBondContact CA-O 3.17Å
259S98.4Very high97Very high0 Ų038.5 Ų38.50%020%0.196CC..EExtended strand (participates in β ladder)trans-130.7166.4174.174.30000111.5L179 W385 G386 R387L179-S259 CarbonylContact O-C 3.23Å; L179-S259 VanDerWaalsContact O-CA 3.23Å; L179-S259 WeakPolarHBondContact O-CA 3.34Å; L179-S259 WeakPolarHBondContact O-CB 3.42Å; S259-W385 PolarHBondContact OG-O 3.2Å; S259-G386 PolarHBondContact N-O 3.05Å; S259-R387 WeakPolarHBondContact O-CG 3.49Å; S259-R387 VanDerWaalsContact OG-CG 3.31Å; S259-R387 WeakPolarHBondContact OG-CG 3.39Å
260V98.9Very high96.8Very high0 Ų041.2 Ų41.20%021%0.212CC..EExtended strand (participates in β ladder)trans-135.1135173.5-173.80000107.9T178 L179 Q181 I184 F262 E332 I351 E352 A354T178-V260 WeakPolarHBondContact CA-O 3.42Å; L179-V260 PolarHBondContact N-O 2.98Å; L179-V260 PolarHBondContact O-N 3.21Å; Q181-V260 HydrophobicContact CG-CG2 4.07Å; I184-V260 HydrophobicContact CD1-CB 3.68Å; I184-V260 HydrophobicContact CD1-CG1 4.48Å; I184-V260 HydrophobicContact CD1-CG2 3.62Å; V260-F262 HydrophobicContact CB-CE2 3.88Å; V260-F262 HydrophobicContact CB-CZ 4.2Å; V260-F262 HydrophobicContact CG1-CD2 4.32Å; V260-F262 HydrophobicContact CG1-CE1 4.31Å; V260-F262 HydrophobicContact CG1-CE2 3.57Å; V260-F262 HydrophobicContact CG1-CZ 3.55Å; V260-E332 WeakPolarHBondContact CG2-OE2 3.41Å; V260-I351 HydrophobicContact CG1-CG2 3.62Å; V260-E352 WeakPolarHBondContact CA-O 3.45Å; V260-E352 WeakPolarHBondContact CG1-O 3.49Å; V260-A354 HydrophobicContact CG1-CB 3.88Å; V260-A354 HydrophobicContact CG2-CB 4.45Å
261T98.7Very high96.6Very high0 Ų040.2 Ų40.20%022%0.216CC..EExtended strand (participates in β ladder)trans-112127.7177.4-56.80000111.1L177 T178 I351 E352 R387 R431L177-T261 CarbonylContact O-C 3.6Å; L177-T261 WeakPolarHBondContact O-CA 3.39Å; T178-T261 VanDerWaalsContact OG1-CG2 3.31Å; T178-T261 WeakPolarHBondContact OG1-CG2 3.42Å; T178-T261 PolarHBondContact OG1-OG1 3.31Å; T261-I351 CarbonylContact O-C 3.51Å; T261-I351 WeakPolarHBondContact O-CA 3.43Å; T261-E352 PolarHBondContact N-O 3.15Å; T261-E352 PolarHBondContact O-N 2.81Å; T261-R387 WeakPolarHBondContact OG1-CD 3.13Å; T261-R387 PolarHBondContact OG1-NH1 2.97Å; T261-R431 VanDerWaalsContact CG2-NH1 3.26Å
262F98.8Very high96.5Very high0 Ų041.2 Ų41.20%022%0.223CC..EExtended strand (participates in β ladder)trans-109.1120.1176.7-57-98.2000108.5S176 L177 L179 I184 V260 V335 F339 L349 I350 I351S176-F262 CarbonylContact C-O 3.57Å; S176-F262 WeakPolarHBondContact CA-O 3.48Å; L177-F262 PolarHBondContact N-O 3.18Å; L177-F262 PolarHBondContact O-N 2.99Å; L179-F262 HydrophobicContact CD1-CD2 3.73Å; L179-F262 HydrophobicContact CD1-CE2 3.77Å; I184-F262 HydrophobicContact CD1-CE2 4.03Å; I184-F262 HydrophobicContact CD1-CZ 4.17Å; V260-F262 HydrophobicContact CB-CE2 3.88Å; V260-F262 HydrophobicContact CB-CZ 4.2Å; V260-F262 HydrophobicContact CG1-CD2 4.32Å; V260-F262 HydrophobicContact CG1-CE1 4.31Å; V260-F262 HydrophobicContact CG1-CE2 3.57Å; V260-F262 HydrophobicContact CG1-CZ 3.55Å; F262-V335 HydrophobicContact CE1-CG1 3.71Å; F262-V335 HydrophobicContact CE2-CG1 3.76Å; F262-V335 HydrophobicContact CZ-CG1 3.17Å; F262-F339 HydrophobicContact CB-CE2 3.92Å; F262-F339 HydrophobicContact CB-CZ 4.05Å; F262-F339 HydrophobicContact CD1-CE2 4.33Å; F262-F339 AromaticContact CD1-CZ 3.95Å; F262-F339 HydrophobicContact CD1-CZ 3.95Å; F262-F339 AromaticContact CD2-CZ 3.83Å; F262-F339 HydrophobicContact CD2-CZ 3.83Å; F262-F339 HydrophobicContact CE1-CZ 4.4Å; F262-F339 HydrophobicContact CE2-CZ 4.31Å; F262-F339 HydrophobicContact CG-CE2 4.03Å; F262-F339 AromaticContact CG-CZ 3.66Å; F262-F339 HydrophobicContact CG-CZ 3.66Å; F262-L349 HydrophobicContact CB-CD1 4.38Å; F262-L349 HydrophobicContact CD1-CD2 4.43Å; F262-I350 CarbonylContact C-O 3.5Å; F262-I350 WeakPolarHBondContact CA-O 3.2Å; F262-I351 HydrophobicContact CD1-CB 4.35Å; F262-I351 HydrophobicContact CD1-CD1 4.16Å; F262-I351 HydrophobicContact CD1-CG1 3.81Å; F262-I351 HydrophobicContact CD1-CG2 3.78Å; F262-I351 HydrophobicContact CE1-CB 4.47Å; F262-I351 HydrophobicContact CE1-CD1 4.16Å; F262-I351 HydrophobicContact CE1-CG1 4.16Å; F262-I351 HydrophobicContact CE1-CG2 3.54Å; F262-I351 HydrophobicContact CG-CG2 4.5Å; F262-I351 HydrophobicContact CZ-CG2 4.07Å
263T98.1Very high96.4Very high1 Ų143.1 Ų43.11%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-123.8108.7-176.9-52.60000109.7S176 R265 I350 F428 R431S176-T263 VanDerWaalsContact OG-CG2 3.31Å; S176-T263 WeakPolarHBondContact OG-CG2 3.34Å; S176-T263 PolarHBondContact OG-OG1 3.48Å; T263-R265 HydrophobicContact CG2-CG 4.18Å; T263-I350 PolarHBondContact N-O 2.51Å; T263-I350 PolarHBondContact O-N 3.17Å; T263-F428 HydrophobicContact CG2-CD2 4.49Å; T263-F428 HydrophobicContact CG2-CE2 4.03Å; T263-F428 HydrophobicContact CG2-CZ 4.06Å; T263-R431 PolarHBondContact OG1-NH1 2.98Å; T263-R431 PolarHBondContact OG1-NH2 3.07Å
264R97.9Very high96.4Very high0 Ų037 Ų370%020%0.204CC..EExtended strand (participates in β ladder)trans-74.6126.6168.8-172.3-179.5-169110.78.7108.3L169 S170 E174 C175 E341 R342 E347 L349L169-R264 HydrophobicContact CB-CB 4.41Å; L169-R264 HydrophobicContact CD1-CB 4.24Å; L169-R264 PolarHBondContact O-NH1 3.5Å; S170-R264 WeakPolarHBondContact O-CD 3.49Å; S170-R264 PolarHBondContact O-NE 3.05Å; E174-R264 WeakPolarHBondContact CA-O 3.42Å; C175-R264 PolarHBondContact O-N 3.22Å; C175-R264 VanDerWaalsContact O-N 3.1Å; R264-E341 PolarHBondContact NH1-O 3.23Å; R264-E341 PolarHBondContact NH2-O 3.06Å; R264-R342 PolarHBondContact NH2-O 3.32Å; R264-E347 IonicContact CZ-OE1 3.85Å; R264-E347 IonicContact CZ-OE2 3.92Å; R264-E347 IonicContact NE-OE1 3.16Å; R264-E347 PolarHBondContact NE-OE1 3.44Å; R264-E347 IonicContact NE-OE2 2.79Å; R264-E347 IonicContact NH2-OE1 3.7Å; R264-E347 PolarHBondContact NH2-OE1 3Å; R264-E347 IonicContact NH2-OE2 3.19Å; R264-E347 PolarHBondContact NH2-OE2 3.17Å; R264-L349 HydrophobicContact CB-CD1 4.47Å
265R96.1Very high96.5Very high4 Ų431.1 Ų31.12%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-112.2144.8179.1-65.1-164.5164-168.1-4.7110.7E174 T263 E347 T348 I350 T424 L427 F428 L433E174-R265 WeakPolarHBondContact OE1-CA 3.38Å; T263-R265 HydrophobicContact CG2-CG 4.18Å; R265-E347 WeakPolarHBondContact O-CA 3.5Å; R265-E347 VanDerWaalsContact O-CB 3.28Å; R265-E347 WeakPolarHBondContact O-CB 3.4Å; R265-T348 PolarHBondContact N-O 3.28Å; R265-T348 PolarHBondContact O-N 2.79Å; R265-T348 VanDerWaalsContact O-N 3.15Å; R265-I350 HydrophobicContact CG-CG1 4.08Å; R265-I350 VanDerWaalsContact NE-CG1 3.35Å; R265-T424 PolarHBondContact NH1-O 3.18Å; R265-L427 HydrophobicContact CB-CD1 4.14Å; R265-F428 HydrophobicContact CG-CD2 4.41Å; R265-F428 HydrophobicContact CG-CE2 3.88Å; R265-L433 VanDerWaalsContact NH2-CG 3.31Å
266C96.5Very high96.5Very high18 Ų1833.9 Ų33.912%0.12220%0.196CC..EExtended strand (participates in β ladder)trans-135.6116.3176.6-171.80000108.5E174 D346 E347 L427E174-C266 HydrophobicContact CG-CB 3.67Å; E174-C266 PolarHBondContact OE1-N 3.44Å; C266-D346 PolarHBondContact SG-OD2 3.21Å; C266-E347 HydrophobicContact CB-CG 4.14Å; C266-L427 WeakPolarHBondContact O-CD2 3.46Å
267L96Very high96.6Very high4 Ų433.9 Ų33.92%0.02120%0.196CC..  trans-68.1-41.7-176.3-174.362.8000111.7N269 L270 A271 D346 N417 Y420 C421L267-N269 PolarHBondContact O-N 2.87Å; L267-L270 HydrophobicContact CD1-CB 4.15Å; L267-L270 WeakPolarHBondContact O-CB 3.42Å; L267-L270 PolarHBondContact O-N 3.19Å; L267-A271 HydrophobicContact CD2-CB 3.8Å; L267-A271 HydrophobicContact CG-CB 4.12Å; L267-D346 HydrophobicContact CB-CB 4.22Å; L267-D346 WeakPolarHBondContact CB-O 3.33Å; L267-D346 PolarHBondContact N-O 3.44Å; L267-N417 HydrophobicContact CD2-CB 3.83Å; L267-N417 WeakPolarHBondContact CD2-O 3.36Å; L267-Y420 HydrophobicContact CD1-CD1 3.67Å; L267-Y420 HydrophobicContact CD1-CE1 3.85Å; L267-Y420 HydrophobicContact CD2-CD1 4.16Å; L267-C421 HydrophobicContact CB-CB 3.93Å; L267-C421 HydrophobicContact CD2-CB 4.37Å
268G91.2Very high96.7Very high39 Ų3939.6 Ų39.640%0.40222%0.218SC..G310 helixtrans48-125.9179.700000112.6L270 D346G268-L270 VanDerWaalsContact C-N 3.27Å; G268-L270 PolarHBondContact O-N 2.79Å; G268-D346 PolarHBondContact N-OD2 2.63Å
269N90.6Very high96.7Very high173 Ų17341.2 Ų41.293%0.92523%0.226SC*.G310 helixtrans-81.91.4-177.7-63.2-20.4000114.2L267L267-N269 PolarHBondContact O-N 2.87Å
270L93.5Very high96.7Very high88 Ų8842.3 Ų42.346%0.46123%0.233SC..G310 helixtrans-86.96.4175.8-65.8169.7000112.6L267 G268 L427L267-L270 HydrophobicContact CD1-CB 4.15Å; L267-L270 WeakPolarHBondContact O-CB 3.42Å; L267-L270 PolarHBondContact O-N 3.19Å; G268-L270 VanDerWaalsContact C-N 3.27Å; G268-L270 PolarHBondContact O-N 2.79Å; L270-L427 HydrophobicContact CD1-CD2 3.56Å; L270-L427 HydrophobicContact CD1-CG 4.46Å
271A94.3Very high96.7Very high38 Ų3842.3 Ų42.331%0.31423%0.233SC..  trans-59.2128.617200000110.5L267L267-A271 HydrophobicContact CD2-CB 3.8Å; L267-A271 HydrophobicContact CG-CB 4.12Å
272P95.6Very high96.7Very high24 Ų2445.8 Ų45.816%0.15625%0.251CS..  trans-63.4146.2178.2-22.433.8000111.8W274 Y420 Q464P272-W274 VanDerWaalsContact C-N 3.28Å; P272-W274 HydrophobicContact CB-CD2 4.24Å; P272-W274 HydrophobicContact CB-CZ2 4.3Å; P272-W274 HydrophobicContact CG-CH2 4.15Å; P272-W274 HydrophobicContact CG-CZ2 3.84Å; P272-W274 VanDerWaalsContact O-CD1 3.29Å; P272-W274 PolarHBondContact O-N 3.42Å; P272-Y420 VanDerWaalsContact CD-CD1 3.46Å; P272-Y420 VanDerWaalsContact CD-CE1 3.45Å; P272-Y420 HydrophobicContact CG-CD1 3.71Å; P272-Y420 HydrophobicContact CG-CD2 4.32Å; P272-Y420 HydrophobicContact CG-CE1 3.42Å; P272-Y420 VanDerWaalsContact CG-CE1 3.42Å; P272-Y420 HydrophobicContact CG-CE2 4.08Å; P272-Y420 HydrophobicContact CG-CG 4.15Å; P272-Q464 HydrophobicContact CB-CG 4.22Å; P272-Q464 HydrophobicContact CG-CG 3.83Å
273D96.7Very high96.7Very high81 Ų8150.9 Ų50.943%0.43328%0.275SS..  trans-75.788159.8-173.2-19.8000108.3S275 K276 S277D273-S275 VanDerWaalsContact C-N 3.26Å; D273-S275 PolarHBondContact O-N 2.74Å; D273-K276 HydrophobicContact CB-CB 4.27Å; D273-K276 HydrophobicContact CB-CD 4.3Å; D273-K276 HydrophobicContact CB-CG 4.38Å; D273-K276 PolarHBondContact O-N 2.95Å; D273-K276 WeakPolarHBondContact OD2-CD 3.24Å; D273-K276 WeakPolarHBondContact OD2-CE 3.32Å; D273-K276 WeakPolarHBondContact OD2-CG 3.45Å; D273-K276 IonicContact OD2-NZ 2.69Å; D273-K276 PolarHBondContact OD2-NZ 2.74Å; D273-S277 PolarHBondContact O-N 3.14Å
274W98.5Very high96.7Very high5 Ų551 Ų512%0.01928%0.275CS..G310 helixtrans-53-43.4-173.2-65.8103.9000112.2P272 K276 S277 L416 N417 Y420 Q464 V497 G498 W501P272-W274 VanDerWaalsContact C-N 3.28Å; P272-W274 HydrophobicContact CB-CD2 4.24Å; P272-W274 HydrophobicContact CB-CZ2 4.3Å; P272-W274 HydrophobicContact CG-CH2 4.15Å; P272-W274 HydrophobicContact CG-CZ2 3.84Å; P272-W274 VanDerWaalsContact O-CD1 3.29Å; P272-W274 PolarHBondContact O-N 3.42Å; W274-K276 PolarHBondContact O-N 2.67Å; W274-K276 VanDerWaalsContact O-N 3.13Å; W274-S277 WeakPolarHBondContact O-CB 3.18Å; W274-S277 PolarHBondContact O-N 3.48Å; W274-L416 HydrophobicContact CB-CD2 4.46Å; W274-L416 HydrophobicContact CD2-CD2 3.39Å; W274-L416 HydrophobicContact CD2-CG 3.86Å; W274-L416 HydrophobicContact CE3-CD1 4.3Å; W274-L416 HydrophobicContact CE3-CD2 3.73Å; W274-L416 HydrophobicContact CE3-CG 4.13Å; W274-L416 HydrophobicContact CG-CD2 3.7Å; W274-L416 HydrophobicContact CH2-CD1 3.76Å; W274-L416 HydrophobicContact CH2-CD2 4.36Å; W274-L416 HydrophobicContact CH2-CG 3.82Å; W274-L416 HydrophobicContact CZ2-CD1 4.02Å; W274-L416 HydrophobicContact CZ2-CD2 4.08Å; W274-L416 HydrophobicContact CZ2-CG 3.54Å; W274-L416 HydrophobicContact CZ3-CD1 3.9Å; W274-L416 HydrophobicContact CZ3-CD2 4.18Å; W274-L416 HydrophobicContact CZ3-CG 4.09Å; W274-N417 PolarHBondContact NE1-OD1 3.4Å; W274-Y420 HydrophobicContact CH2-CD2 4.01Å; W274-Y420 AromaticContact CH2-CG 3.99Å; W274-Y420 HydrophobicContact CH2-CG 3.99Å; W274-Y420 HydrophobicContact CZ2-CD2 4.48Å; W274-Y420 HydrophobicContact CZ2-CG 4.03Å; W274-Q464 HydrophobicContact CE3-CG 4.5Å; W274-Q464 HydrophobicContact CH2-CB 3.89Å; W274-Q464 HydrophobicContact CH2-CG 3.9Å; W274-Q464 HydrophobicContact CZ3-CB 3.58Å; W274-Q464 HydrophobicContact CZ3-CG 3.72Å; W274-V497 HydrophobicContact CE3-CG1 3.58Å; W274-V497 HydrophobicContact CZ3-CG1 3.91Å; W274-G498 WeakPolarHBondContact O-CA 3.45Å; W274-W501 HydrophobicContact CB-CB 4.21Å; W274-W501 HydrophobicContact CB-CD2 4.21Å; W274-W501 HydrophobicContact CB-CG 3.7Å
275S97.6Very high96.8Very high40 Ų4056 Ų5628%0.2829%0.294SS..G310 helixtrans-59.2-25.6178.4-59.90000113.7D273D273-S275 VanDerWaalsContact C-N 3.26Å; D273-S275 PolarHBondContact O-N 2.74Å
276K98.3Very high96.9Very high145 Ų14555.8 Ų55.863%0.6329%0.293SS*.G310 helixtrans-92.5-11.7179.4-68.9-174.6-174.5135.20113.8D273 W274 K278D273-K276 HydrophobicContact CB-CB 4.27Å; D273-K276 HydrophobicContact CB-CD 4.3Å; D273-K276 HydrophobicContact CB-CG 4.38Å; D273-K276 PolarHBondContact O-N 2.95Å; D273-K276 WeakPolarHBondContact OD2-CD 3.24Å; D273-K276 WeakPolarHBondContact OD2-CE 3.32Å; D273-K276 WeakPolarHBondContact OD2-CG 3.45Å; D273-K276 IonicContact OD2-NZ 2.69Å; D273-K276 PolarHBondContact OD2-NZ 2.74Å; W274-K276 PolarHBondContact O-N 2.67Å; W274-K276 VanDerWaalsContact O-N 3.13Å; K276-K278 PolarHBondContact O-N 3.07Å
277S98.6Very high96.9Very high13 Ų1355.1 Ų55.19%0.09129%0.288CS..  trans-62.1129.3-177.7-176.40000111.8D273 W274 Q464 G498D273-S277 PolarHBondContact O-N 3.14Å; W274-S277 WeakPolarHBondContact O-CB 3.18Å; W274-S277 PolarHBondContact O-N 3.48Å; S277-Q464 VanDerWaalsContact CB-OE1 3.32Å; S277-Q464 PolarHBondContact OG-OE1 3.05Å; S277-G498 PolarHBondContact O-N 3.16Å; S277-G498 VanDerWaalsContact O-N 3.14Å
278K98.6Very high97.1Very high158 Ų15854.9 Ų54.969%0.68729%0.287SS*.  trans-107.56.9-179.6-56.4-55179.4-172.20113.3K276K276-K278 PolarHBondContact O-N 3.07Å
279L98.7Very high97.3Very high35 Ų3553.7 Ų53.718%0.18327%0.272CS..  trans-68.3131.9174.9-64.6172.2000109.4Q283 L463 T496 V497L279-Q283 VanDerWaalsContact CD2-OE1 3.31Å; L279-L463 HydrophobicContact CB-CD1 4.16Å; L279-L463 HydrophobicContact CB-CD2 4.38Å; L279-L463 HydrophobicContact CB-CG 4.02Å; L279-T496 CarbonylContact O-C 3.45Å; L279-T496 WeakPolarHBondContact O-CA 3.39Å; L279-V497 HydrophobicContact CB-CG2 4.34Å; L279-V497 PolarHBondContact O-N 3.27Å
280T98.7Very high97.6Very high23 Ų2345.6 Ų45.614%0.14123%0.229CC..BIsolated β-bridgetrans-102.7147.5-175.954.10000111.3D282 Q283 K494 V495 T496T280-D282 WeakPolarHBondContact CB-OD1 3.4Å; T280-D282 PolarHBondContact O-N 3.23Å; T280-D282 PolarHBondContact OG1-OD1 2.79Å; T280-Q283 VanDerWaalsContact O-CB 3.29Å; T280-Q283 WeakPolarHBondContact O-CB 3.05Å; T280-Q283 WeakPolarHBondContact O-CG 3.32Å; T280-Q283 PolarHBondContact O-N 2.9Å; T280-Q283 PolarHBondContact OG1-NE2 3.46Å; T280-K494 HydrophobicContact CG2-CB 4.33Å; T280-K494 WeakPolarHBondContact CG2-O 3.16Å; T280-V495 VanDerWaalsContact CA-O 3.32Å; T280-V495 WeakPolarHBondContact CA-O 3.22Å; T280-T496 HydrophobicContact CG2-CG2 3.74Å
281F98.7Very high97.4Very high0 Ų043.6 Ų43.60%022%0.221CC..G310 helixtrans-66.3-20-172.1-91-102.8000115.1Q283 L284 M459 M460 L463 L490 S491 V495 V497 L500F281-Q283 PolarHBondContact O-N 3.38Å; F281-Q283 VanDerWaalsContact O-N 3.15Å; F281-L284 HydrophobicContact CD1-CD2 4.33Å; F281-L284 HydrophobicContact CE1-CD2 4.45Å; F281-L284 WeakPolarHBondContact O-CB 3.38Å; F281-L284 PolarHBondContact O-N 2.88Å; F281-M459 HydrophobicContact CE1-CB 3.78Å; F281-M459 HydrophobicContact CE1-SD 4.28Å; F281-M459 HydrophobicContact CZ-CB 4.4Å; F281-M460 HydrophobicContact CE2-CG 4.49Å; F281-M460 HydrophobicContact CZ-CG 3.91Å; F281-L463 HydrophobicContact CD1-CD2 4.42Å; F281-L463 HydrophobicContact CD2-CD2 3.83Å; F281-L463 HydrophobicContact CE2-CD2 4.08Å; F281-L463 HydrophobicContact CG-CD2 4.01Å; F281-L463 HydrophobicContact CZ-CD2 4.49Å; F281-L490 HydrophobicContact CB-CB 3.73Å; F281-L490 HydrophobicContact CD1-CB 3.92Å; F281-L490 HydrophobicContact CD1-CD1 3.77Å; F281-L490 HydrophobicContact CD1-CG 4.48Å; F281-L490 HydrophobicContact CD2-CB 4.31Å; F281-L490 HydrophobicContact CE1-CD1 3.66Å; F281-L490 HydrophobicContact CG-CB 3.74Å; F281-L490 HydrophobicContact CG-CD1 4.24Å; F281-L490 HydrophobicContact CZ-CD1 4.09Å; F281-S491 PolarHBondContact O-OG 2.88Å; F281-V495 WeakPolarHBondContact CD2-O 3.26Å; F281-V495 PolarHBondContact N-O 2.69Å; F281-V497 HydrophobicContact CE2-CG2 4.32Å; F281-L500 HydrophobicContact CE1-CD2 4.34Å; F281-L500 HydrophobicContact CE2-CB 4.38Å; F281-L500 HydrophobicContact CE2-CD2 3.59Å; F281-L500 HydrophobicContact CZ-CD2 3.39Å
282D98.3Very high97Very high72 Ų7242.6 Ų42.639%0.38521%0.214SC..G310 helixtrans-64.6-12.617062.8-55.7000113.7T280T280-D282 WeakPolarHBondContact CB-OD1 3.4Å; T280-D282 PolarHBondContact O-N 3.23Å; T280-D282 PolarHBondContact OG1-OD1 2.79Å
283Q98.5Very high96.8Very high108 Ų10842.9 Ų42.951%0.50522%0.216SC..G310 helixtrans-88.5-15.8174.5-55.3173.413.400112.9L279 T280 F281 L463L279-Q283 VanDerWaalsContact CD2-OE1 3.31Å; T280-Q283 VanDerWaalsContact O-CB 3.29Å; T280-Q283 WeakPolarHBondContact O-CB 3.05Å; T280-Q283 WeakPolarHBondContact O-CG 3.32Å; T280-Q283 PolarHBondContact O-N 2.9Å; T280-Q283 PolarHBondContact OG1-NE2 3.46Å; F281-Q283 PolarHBondContact O-N 3.38Å; F281-Q283 VanDerWaalsContact O-N 3.15Å; Q283-L463 HydrophobicContact CB-CD1 3.95Å
284L98.7Very high96.6Very high2 Ų239.2 Ų39.21%0.0120%0.197CC..  trans-77.5132.1174.8178.464.2000108.5F281 M459 C462 L463 K467 L469 Y487F281-L284 HydrophobicContact CD1-CD2 4.33Å; F281-L284 HydrophobicContact CE1-CD2 4.45Å; F281-L284 WeakPolarHBondContact O-CB 3.38Å; F281-L284 PolarHBondContact O-N 2.88Å; L284-M459 HydrophobicContact CD2-CB 3.99Å; L284-M459 HydrophobicContact CD2-CG 4.18Å; L284-C462 HydrophobicContact CD1-CB 3.98Å; L284-L463 HydrophobicContact CB-CB 4.39Å; L284-L463 HydrophobicContact CB-CD1 4.23Å; L284-L463 HydrophobicContact CD1-CB 4.41Å; L284-K467 WeakPolarHBondContact CD1-O 3.36Å; L284-L469 HydrophobicContact CD1-CB 4.33Å; L284-Y487 HydrophobicContact CB-CE2 4.25Å; L284-Y487 HydrophobicContact CD2-CD2 4.4Å; L284-Y487 HydrophobicContact CD2-CE2 4.41Å; L284-Y487 HydrophobicContact CG-CE2 4.4Å; L284-Y487 PolarHBondContact O-OH 3.38Å
285R98.4Very high96.1Very high105 Ų10540.9 Ų40.940%0.39621%0.208SC..  trans-96.6131.1167.6-60.8-64.4-64.6-861.4108.9D14 L19 S468 L469D14-R285 VanDerWaalsContact CG-NE 3.28Å; D14-R285 IonicContact OD1-CZ 2.96Å; D14-R285 IonicContact OD1-NE 2.77Å; D14-R285 PolarHBondContact OD1-NE 2.97Å; D14-R285 IonicContact OD1-NH2 3.19Å; D14-R285 PolarHBondContact OD1-NH2 3.42Å; D14-R285 IonicContact OD2-CZ 3.65Å; D14-R285 IonicContact OD2-NE 3.17Å; D14-R285 PolarHBondContact OD2-NE 3.16Å; D14-R285 IonicContact OD2-NH2 2.78Å; L19-R285 HydrophobicContact CD2-CB 3.68Å; L19-R285 HydrophobicContact CD2-CG 4.37Å; R285-S468 CarbonylContact O-C 3.53Å; R285-S468 WeakPolarHBondContact O-CA 3.39Å; R285-L469 PolarHBondContact O-N 3.35Å
286L98.5Very high95.6Very high0 Ų044.2 Ų44.20%022%0.222CC..EExtended strand (participates in β ladder)trans-129.2128.3-169.6-177.870.3000111G13 D14 V288 M459 L469 I483 Y487G13-L286 CarbonylContact C-O 3.48Å; G13-L286 WeakPolarHBondContact CA-O 3.45Å; D14-L286 PolarHBondContact N-O 2.76Å; D14-L286 PolarHBondContact OD2-N 3.34Å; L286-V288 HydrophobicContact CD1-CG2 3.96Å; L286-V288 HydrophobicContact CD2-CG2 3.57Å; L286-V288 HydrophobicContact CG-CG2 3.63Å; L286-M459 HydrophobicContact CD1-CE 4.3Å; L286-M459 HydrophobicContact CD2-CE 4.03Å; L286-L469 CarbonylContact C-O 3.54Å; L286-L469 WeakPolarHBondContact CA-O 3.39Å; L286-L469 HydrophobicContact CD1-CB 3.83Å; L286-L469 HydrophobicContact CD1-CD2 3.68Å; L286-L469 HydrophobicContact CD1-CG 3.78Å; L286-I483 HydrophobicContact CD2-CG2 4.3Å; L286-Y487 HydrophobicContact CB-CD1 4.25Å; L286-Y487 HydrophobicContact CB-CD2 4.07Å; L286-Y487 HydrophobicContact CB-CE1 4.12Å; L286-Y487 HydrophobicContact CB-CE2 3.93Å; L286-Y487 HydrophobicContact CB-CG 4.23Å; L286-Y487 VanDerWaalsContact CD2-CB 3.41Å; L286-Y487 HydrophobicContact CD2-CD1 3.63Å; L286-Y487 HydrophobicContact CD2-CD2 3.75Å; L286-Y487 HydrophobicContact CD2-CE1 4.33Å; L286-Y487 HydrophobicContact CD2-CE2 4.43Å; L286-Y487 HydrophobicContact CD2-CG 3.28Å; L286-Y487 HydrophobicContact CG-CG 4.38Å
287H98.1Very high95.3Very high4 Ų437.4 Ų37.42%0.01919%0.193CC..EExtended strand (participates in β ladder)trans-114.6128.2163.4178.782.6000108.2F11 D14 L19 N289 L469 A470 Y471F11-H287 AromaticContact CD2-CE1 3.5Å; F11-H287 AromaticContact CD2-ND1 3.65Å; F11-H287 AromaticContact CG-CE1 3.6Å; D14-H287 PolarHBondContact O-ND1 2.84Å; L19-H287 HydrophobicContact CD1-CB 3.87Å; H287-N289 WeakPolarHBondContact NE2-CB 3.18Å; H287-N289 PolarHBondContact NE2-ND2 3.23Å; H287-L469 PolarHBondContact N-O 2.96Å; H287-A470 HydrophobicContact CB-CB 4.27Å; H287-A470 CarbonylContact O-C 3.28Å; H287-A470 VanDerWaalsContact O-CA 3.29Å; H287-A470 WeakPolarHBondContact O-CA 3.49Å; H287-Y471 PolarHBondContact O-N 3.1Å
288V98.3Very high94.9Very high0 Ų037.8 Ų37.80%020%0.199CC..EExtended strand (participates in β ladder)trans-124.4126.8174.3-165.90000108.8F11 K12 L286 Y471 T473 C480 I483F11-V288 CarbonylContact C-O 3.46Å; F11-V288 WeakPolarHBondContact CA-O 3.19Å; F11-V288 WeakPolarHBondContact CB-O 3.42Å; K12-V288 PolarHBondContact N-O 3.27Å; K12-V288 PolarHBondContact O-N 3.01Å; L286-V288 HydrophobicContact CD1-CG2 3.96Å; L286-V288 HydrophobicContact CD2-CG2 3.57Å; L286-V288 HydrophobicContact CG-CG2 3.63Å; V288-Y471 CarbonylContact C-O 3.49Å; V288-Y471 VanDerWaalsContact CA-O 3.31Å; V288-Y471 WeakPolarHBondContact CA-O 3.4Å; V288-T473 HydrophobicContact CG1-CG2 4.08Å; V288-C480 HydrophobicContact CG1-CB 4.12Å; V288-I483 HydrophobicContact CG1-CB 4.15Å; V288-I483 HydrophobicContact CG1-CD1 3.99Å; V288-I483 HydrophobicContact CG1-CG2 4.08Å; V288-I483 HydrophobicContact CG2-CB 4.35Å; V288-I483 HydrophobicContact CG2-CG2 3.59Å
289N97Very high94.6Very high14 Ų1432.7 Ų32.78%0.07518%0.182CC..EExtended strand (participates in β ladder)trans-134.9125.5-170.2-166.5-32.5000111.9Y10 F11 H287 T291 G292 Y471 F472 T473Y10-N289 PolarHBondContact O-OD1 3.1Å; F11-N289 HydrophobicContact CB-CB 4.11Å; H287-N289 WeakPolarHBondContact NE2-CB 3.18Å; H287-N289 PolarHBondContact NE2-ND2 3.23Å; N289-T291 PolarHBondContact OD1-N 3.29Å; N289-T291 PolarHBondContact OD1-OG1 3.44Å; N289-G292 PolarHBondContact OD1-N 2.71Å; N289-G292 VanDerWaalsContact OD1-N 3.11Å; N289-Y471 PolarHBondContact N-O 3.34Å; N289-F472 HydrophobicContact CB-CD1 3.87Å; N289-F472 HydrophobicContact CB-CE1 3.98Å; N289-F472 VanDerWaalsContact O-CA 3.31Å; N289-F472 WeakPolarHBondContact O-CA 3.25Å; N289-T473 PolarHBondContact O-N 2.92Å
290A96.3Very high94.4Very high3 Ų331.7 Ų31.73%0.02518%0.177CC..SBendtrans-90.3-13.7178.200000113.8Y10 T473 G475 K477 C480Y10-A290 HydrophobicContact CD1-CB 3.85Å; Y10-A290 HydrophobicContact CG-CB 4.49Å; Y10-A290 PolarHBondContact O-N 3.4Å; A290-T473 VanDerWaalsContact CA-OG1 3.29Å; A290-T473 WeakPolarHBondContact CA-OG1 3.4Å; A290-T473 WeakPolarHBondContact CB-OG1 3.13Å; A290-G475 WeakPolarHBondContact O-CA 3.08Å; A290-G475 PolarHBondContact O-N 2.85Å; A290-K477 HydrophobicContact CB-CB 4.49Å; A290-K477 HydrophobicContact CB-CG 3.85Å; A290-C480 HydrophobicContact CB-CB 4.13Å
291T89.4Confident94.3Very high46 Ų4630.6 Ų30.628%0.28217%0.17SC..SBendtrans-111.2-12.9-170.148.60000115.4Y10 N289Y10-T291 PolarHBondContact N-OG1 3.08Å; Y10-T291 VanDerWaalsContact N-OG1 3.16Å; N289-T291 PolarHBondContact OD1-N 3.29Å; N289-T291 PolarHBondContact OD1-OG1 3.44Å
292G86.1Confident94.3Very high17 Ų1730.6 Ų30.618%0.17517%0.17CC..  trans-101.7178.4178.800000113.5N289 F472N289-G292 PolarHBondContact OD1-N 2.71Å; N289-G292 VanDerWaalsContact OD1-N 3.11Å; G292-F472 WeakPolarHBondContact O-CD1 3.21Å
293S90.2Very high94.3Very high30 Ų3027.4 Ų27.421%0.2115%0.153CC..  trans-122166.4170.475.50000111.7T295 D296 F472S293-T295 PolarHBondContact O-N 2.73Å; S293-T295 PolarHBondContact OG-N 2.7Å; S293-T295 PolarHBondContact OG-OG1 2.9Å; S293-D296 WeakPolarHBondContact CB-OD2 3.42Å; S293-D296 PolarHBondContact N-OD2 2.96Å; S293-D296 WeakPolarHBondContact O-CB 3.39Å; S293-D296 PolarHBondContact O-N 3.22Å; S293-D296 PolarHBondContact OG-OD2 2.82Å; S293-F472 WeakPolarHBondContact O-CE1 3.29Å; S293-F472 WeakPolarHBondContact O-CZ 3.44Å
294I93.9Very high94.3Very high3 Ų322.2 Ų22.22%0.01513%0.129CC..G310 helixtrans-57.7-34176.7-65.9167.7000111.8D296 A297 Q303 F306 A438 F472 F474I294-D296 VanDerWaalsContact C-N 3.26Å; I294-D296 PolarHBondContact O-N 2.64Å; I294-A297 VanDerWaalsContact O-CB 3.29Å; I294-A297 WeakPolarHBondContact O-CB 3.48Å; I294-A297 PolarHBondContact O-N 3.47Å; I294-Q303 HydrophobicContact CG2-CB 3.66Å; I294-Q303 HydrophobicContact CG2-CG 4.06Å; I294-F306 HydrophobicContact CD1-CE1 3.85Å; I294-F306 HydrophobicContact CD1-CE2 4.42Å; I294-F306 HydrophobicContact CD1-CZ 3.64Å; I294-A438 HydrophobicContact CG2-CB 4.23Å; I294-A438 WeakPolarHBondContact CG2-O 3.3Å; I294-F472 HydrophobicContact CB-CD2 4.48Å; I294-F472 HydrophobicContact CG1-CD2 3.85Å; I294-F474 HydrophobicContact CD1-CZ 4.09Å; I294-F474 HydrophobicContact CG1-CZ 4.38Å
295T88Confident94.3Very high41 Ų4122.1 Ų22.125%0.25213%0.128SC..G310 helixtrans-71.5-22.5179.1480000113.1S293 A297S293-T295 PolarHBondContact O-N 2.73Å; S293-T295 PolarHBondContact OG-N 2.7Å; S293-T295 PolarHBondContact OG-OG1 2.9Å; T295-A297 PolarHBondContact O-N 3.39Å
296D86.3Confident94.3Very high109 Ų10918.9 Ų18.958%0.58312%0.117SC*.G310 helixtrans-84-0179.1-51.3-41.5000112.4S293 I294 G298S293-D296 WeakPolarHBondContact CB-OD2 3.42Å; S293-D296 PolarHBondContact N-OD2 2.96Å; S293-D296 WeakPolarHBondContact O-CB 3.39Å; S293-D296 PolarHBondContact O-N 3.22Å; S293-D296 PolarHBondContact OG-OD2 2.82Å; I294-D296 VanDerWaalsContact C-N 3.26Å; I294-D296 PolarHBondContact O-N 2.64Å; D296-G298 PolarHBondContact O-N 3.18Å; D296-G298 VanDerWaalsContact O-N 3.11Å
297A91.5Very high94.3Very high3 Ų319 Ų193%0.02512%0.118CC..G310 helixtrans-68.8-12.6-173.200000114L16 I294 T295 T301 A438 F472L16-A297 HydrophobicContact CD2-CB 4.3Å; I294-A297 VanDerWaalsContact O-CB 3.29Å; I294-A297 WeakPolarHBondContact O-CB 3.48Å; I294-A297 PolarHBondContact O-N 3.47Å; T295-A297 PolarHBondContact O-N 3.39Å; A297-T301 HydrophobicContact CB-CG2 3.84Å; A297-T301 WeakPolarHBondContact O-CG2 3.48Å; A297-A438 HydrophobicContact CB-CB 3.42Å; A297-A438 VanDerWaalsContact CB-CB 3.42Å; A297-F472 HydrophobicContact CB-CE2 4.09Å; A297-F472 HydrophobicContact CB-CZ 4.06Å
298G90Very high94.2Very high20 Ų2021.3 Ų21.321%0.20613%0.13CC..  trans79.5-163.7170.600000114.6D296 T301D296-G298 PolarHBondContact O-N 3.18Å; D296-G298 VanDerWaalsContact O-N 3.11Å; G298-T301 PolarHBondContact O-OG1 2.82Å
299P93.1Very high94.2Very high52 Ų5221.8 Ų21.834%0.33813%0.134SC..THydrogen-bonded Turntrans-69.2162.6-176.130.3-36000112.3T20 T301 M380 N389T20-P299 WeakPolarHBondContact CB-O 3.48Å; T20-P299 WeakPolarHBondContact CG2-O 3.14Å; P299-T301 PolarHBondContact O-N 3.36Å; P299-M380 HydrophobicContact CB-CE 4.19Å; P299-M380 HydrophobicContact CB-SD 3.78Å; P299-N389 CarbonylContact C-O 3.2Å; P299-N389 VanDerWaalsContact CA-O 3.28Å; P299-N389 WeakPolarHBondContact CA-O 3.02Å
300N94.7Very high94.2Very high13 Ų1324.2 Ų24.27%0.0714%0.142CC..THydrogen-bonded Turntrans5534.5179.3-56.2-50.6000112.9T20 S22 S23 N389 P434 P435T20-N300 WeakPolarHBondContact O-CB 3.32Å; T20-N300 PolarHBondContact O-ND2 2.96Å; S22-N300 VanDerWaalsContact O-CG 3.29Å; S23-N300 WeakPolarHBondContact CA-OD1 3.27Å; S23-N300 VanDerWaalsContact CB-OD1 3.27Å; S23-N300 WeakPolarHBondContact CB-OD1 3.32Å; S23-N300 PolarHBondContact OG-OD1 2.97Å; N300-N389 PolarHBondContact N-O 2.79Å; N300-N389 PolarHBondContact OD1-ND2 2.91Å; N300-N389 PolarHBondContact OD1-OD1 2.84Å; N300-P434 VanDerWaalsContact C-CB 3.42Å; N300-P434 WeakPolarHBondContact O-CB 3.39Å; N300-P435 HydrophobicContact CB-CG 4.47Å; N300-P435 WeakPolarHBondContact O-CD 3.41Å
301T97Very high94.3Very high0 Ų024.2 Ų24.20%014%0.142CC..EExtended strand (participates in β ladder)trans-115.6145.8174.161.60000112.5T20 A297 G298 P299 Q303 Y390 A391 P434 V436T20-T301 HydrophobicContact CG2-CG2 3.71Å; A297-T301 HydrophobicContact CB-CG2 3.84Å; A297-T301 WeakPolarHBondContact O-CG2 3.48Å; G298-T301 PolarHBondContact O-OG1 2.82Å; P299-T301 PolarHBondContact O-N 3.36Å; T301-Q303 PolarHBondContact OG1-NE2 2.78Å; T301-Y390 WeakPolarHBondContact O-CA 3.46Å; T301-Y390 WeakPolarHBondContact O-CB 3.13Å; T301-A391 PolarHBondContact O-N 2.74Å; T301-P434 VanDerWaalsContact C-CB 3.4Å; T301-P434 WeakPolarHBondContact O-CG 3.23Å; T301-V436 CarbonylContact C-O 3.55Å; T301-V436 WeakPolarHBondContact CA-O 3.38Å; T301-V436 HydrophobicContact CG2-CB 4.27Å
302L98.2Very high94.7Very high0 Ų022 Ų220%013%0.129CC..EExtended strand (participates in β ladder)trans-100.496.5167.2-176.768.6000107.4I350 A391 V393 G422 F423 L433 P434 V436 V437 A438L302-I350 HydrophobicContact CD1-CD1 4.42Å; L302-A391 CarbonylContact C-O 3.53Å; L302-A391 WeakPolarHBondContact CA-O 3.14Å; L302-A391 HydrophobicContact CD1-CB 3.62Å; L302-V393 HydrophobicContact CD1-CB 3.88Å; L302-V393 HydrophobicContact CD1-CG1 4.06Å; L302-V393 HydrophobicContact CD2-CB 4.25Å; L302-V393 HydrophobicContact CD2-CG1 3.92Å; L302-V393 HydrophobicContact CG-CB 4.03Å; L302-V393 HydrophobicContact CG-CG1 3.65Å; L302-G422 WeakPolarHBondContact CD2-O 3.44Å; L302-F423 HydrophobicContact CD2-CD1 3.89Å; L302-L433 HydrophobicContact CD1-CD1 4.36Å; L302-L433 HydrophobicContact CD1-CD2 4.47Å; L302-L433 HydrophobicContact CD2-CD1 3.82Å; L302-P434 HydrophobicContact CB-CB 4.35Å; L302-P434 HydrophobicContact CB-CG 4.47Å; L302-V436 PolarHBondContact N-O 3.16Å; L302-V437 HydrophobicContact CD2-CG2 4.21Å; L302-V437 CarbonylContact O-C 3.58Å; L302-V437 WeakPolarHBondContact O-CA 3.45Å; L302-A438 PolarHBondContact O-N 3.27Å
303Q98.6Very high95.2Very high5 Ų523 Ų232%0.02314%0.139CC..EExtended strand (participates in β ladder)trans-82.2121.1-175.8-65.3-1771200110.5I294 T301 D305 A391 V392 V393 A438I294-Q303 HydrophobicContact CG2-CB 3.66Å; I294-Q303 HydrophobicContact CG2-CG 4.06Å; T301-Q303 PolarHBondContact OG1-NE2 2.78Å; Q303-D305 PolarHBondContact O-N 2.82Å; Q303-A391 PolarHBondContact N-O 2.65Å; Q303-V392 CarbonylContact O-C 3.45Å; Q303-V392 WeakPolarHBondContact O-CA 3.4Å; Q303-V393 PolarHBondContact O-N 3.19Å; Q303-A438 HydrophobicContact CG-CB 4.3Å
304V98.9Very high95.4Very high0 Ų022.5 Ų22.50%014%0.139CC..EExtended strand (participates in β ladder)trans-77.8122.3-179-177.10000110.3F306 Q322 V393 M395 F423 V437 A438 T439V304-F306 HydrophobicContact CB-CD1 4.42Å; V304-F306 HydrophobicContact CB-CE1 4.17Å; V304-F306 HydrophobicContact CG1-CD1 3.69Å; V304-F306 HydrophobicContact CG1-CE1 3.81Å; V304-Q322 PolarHBondContact O-NE2 3.46Å; V304-V393 HydrophobicContact CB-CG1 4.23Å; V304-V393 HydrophobicContact CG2-CG1 3.74Å; V304-M395 HydrophobicContact CB-CE 4.34Å; V304-M395 HydrophobicContact CG1-CE 3.31Å; V304-M395 HydrophobicContact CG1-CG 3.93Å; V304-M395 HydrophobicContact CG1-SD 4.25Å; V304-M395 HydrophobicContact CG2-CE 4.04Å; V304-F423 HydrophobicContact CG2-CE1 4.03Å; V304-F423 HydrophobicContact CG2-CZ 4.34Å; V304-V437 HydrophobicContact CG2-CG1 3.76Å; V304-A438 WeakPolarHBondContact CG2-O 3.4Å; V304-A438 PolarHBondContact N-O 3.19Å; V304-T439 VanDerWaalsContact CG2-CB 3.49Å; V304-T439 WeakPolarHBondContact CG2-OG1 3.45Å
305D98.7Very high95.6Very high0 Ų022.7 Ų22.70%014%0.14CC..EExtended strand (participates in β ladder)trans-87.5120.3161.1172.132.5000108.7Q303 A307 E323 M326 F327 V392 V393 A394 M395Q303-D305 PolarHBondContact O-N 2.82Å; D305-A307 PolarHBondContact O-N 2.77Å; D305-A307 WeakPolarHBondContact OD2-CB 3.31Å; D305-E323 VanDerWaalsContact OD1-CA 3.24Å; D305-E323 WeakPolarHBondContact OD1-CA 3.27Å; D305-E323 WeakPolarHBondContact OD1-CB 3.08Å; D305-E323 WeakPolarHBondContact OD1-CG 3.4Å; D305-M326 HydrophobicContact CB-CE 3.92Å; D305-M326 HydrophobicContact CB-SD 3.66Å; D305-F327 WeakPolarHBondContact OD2-CE2 3.48Å; D305-V392 HydrophobicContact CB-CG1 3.67Å; D305-V393 PolarHBondContact N-O 3.14Å; D305-A394 HydrophobicContact CB-CB 4.2Å; D305-A394 WeakPolarHBondContact OD2-CB 3.36Å; D305-M395 PolarHBondContact O-N 3.13Å
306F97.8Very high96.1Very high37 Ų3721 Ų2116%0.16213%0.129CC..EExtended strand (participates in β ladder)trans-76.864.2177.1-59.5-12.8000109.3I294 V304 Q322 W442 F474I294-F306 HydrophobicContact CD1-CE1 3.85Å; I294-F306 HydrophobicContact CD1-CE2 4.42Å; I294-F306 HydrophobicContact CD1-CZ 3.64Å; V304-F306 HydrophobicContact CB-CD1 4.42Å; V304-F306 HydrophobicContact CB-CE1 4.17Å; V304-F306 HydrophobicContact CG1-CD1 3.69Å; V304-F306 HydrophobicContact CG1-CE1 3.81Å; F306-Q322 HydrophobicContact CB-CB 4.49Å; F306-Q322 HydrophobicContact CD2-CB 3.96Å; F306-Q322 HydrophobicContact CD2-CG 3.83Å; F306-Q322 HydrophobicContact CE2-CG 4.19Å; F306-Q322 HydrophobicContact CG-CB 4.5Å; F306-Q322 HydrophobicContact CG-CG 4.27Å; F306-W442 HydrophobicContact CD1-CB 3.81Å; F306-W442 AromaticContact CD1-CD1 3.61Å; F306-W442 HydrophobicContact CD1-CG 4.1Å; F306-W442 HydrophobicContact CE1-CB 3.7Å; F306-W442 HydrophobicContact CE1-CG 4.42Å; F306-W442 HydrophobicContact CG-CB 4.45Å; F306-W442 HydrophobicContact CZ-CB 4.23Å; F306-F474 HydrophobicContact CE2-CE2 4.24Å; F306-F474 HydrophobicContact CE2-CZ 4.31Å; F306-F474 HydrophobicContact CZ-CE2 4.5Å; F306-F474 HydrophobicContact CZ-CZ 4.45Å
307A97.8Very high96.5Very high2 Ų218.7 Ų18.72%0.01712%0.117CC..EExtended strand (participates in β ladder)trans-68154.5-161.900000112.3D305 L311 A394 M395 D396D305-A307 PolarHBondContact O-N 2.77Å; D305-A307 WeakPolarHBondContact OD2-CB 3.31Å; A307-L311 HydrophobicContact CB-CD2 4.22Å; A307-A394 HydrophobicContact CB-CB 3.86Å; A307-M395 PolarHBondContact N-O 3.37Å; A307-D396 WeakPolarHBondContact O-CA 3.2Å; A307-D396 WeakPolarHBondContact O-CB 3.37Å
308N97.1Very high96.6Very high52 Ų5221.4 Ų21.428%0.27814%0.136SC..  trans-77.4151.8153.1-167.9-69.7000109.6Y310 E323N308-Y310 WeakPolarHBondContact CB-O 3.37Å; N308-Y310 CarbonylContact O-C 3.59Å; N308-Y310 PolarHBondContact O-N 2.78Å; N308-Y310 VanDerWaalsContact O-N 3.09Å; N308-Y310 PolarHBondContact OD1-N 3.49Å; N308-E323 WeakPolarHBondContact CB-OE2 3.35Å; N308-E323 VanDerWaalsContact N-CD 3.34Å; N308-E323 PolarHBondContact N-OE1 2.89Å; N308-E323 PolarHBondContact N-OE2 2.74Å
309S97.6Very high96.8Very high11 Ų1121.3 Ų21.38%0.07714%0.135CC..SBendtrans-55.6-28171.464.70000112.4R342 L343S309-R342 CarbonylContact O-C 3.55Å; S309-R342 VanDerWaalsContact O-CA 3.24Å; S309-R342 WeakPolarHBondContact O-CA 3.35Å; S309-R342 WeakPolarHBondContact O-CG 3.3Å; S309-R342 PolarHBondContact OG-NE 2.75Å; S309-L343 PolarHBondContact O-N 2.76Å
310Y97.8Very high97Very high64 Ų6419.1 Ų19.125%0.25112%0.12SC..SBendtrans-94.5102.2163.6-67.4-95.2000109.4V209 N308 G313 R342V209-Y310 WeakPolarHBondContact O-CE1 3.04Å; V209-Y310 PolarHBondContact O-OH 2.89Å; N308-Y310 WeakPolarHBondContact CB-O 3.37Å; N308-Y310 CarbonylContact O-C 3.59Å; N308-Y310 PolarHBondContact O-N 2.78Å; N308-Y310 VanDerWaalsContact O-N 3.09Å; N308-Y310 PolarHBondContact OD1-N 3.49Å; Y310-G313 PolarHBondContact O-N 2.79Å; Y310-R342 HydrophobicContact CD1-CB 4.21Å; Y310-R342 HydrophobicContact CD1-CG 4.38Å; Y310-R342 HydrophobicContact CD2-CG 3.91Å; Y310-R342 HydrophobicContact CE1-CB 4.04Å; Y310-R342 HydrophobicContact CE1-CG 4.29Å; Y310-R342 HydrophobicContact CE2-CB 4.42Å; Y310-R342 HydrophobicContact CE2-CG 3.79Å; Y310-R342 HydrophobicContact CG-CB 4.49Å; Y310-R342 HydrophobicContact CG-CG 4.21Å
311L98.5Very high97Very high3 Ų321.1 Ų21.12%0.01613%0.133CC..THydrogen-bonded Turntrans-51.3143.2-175.4-64.2176.8000114.3P212 A307 G313 C337 V340 L343 L349 A394P212-L311 WeakPolarHBondContact CB-O 3.39Å; P212-L311 HydrophobicContact CG-CB 4.23Å; P212-L311 WeakPolarHBondContact CG-O 3.4Å; A307-L311 HydrophobicContact CB-CD2 4.22Å; L311-G313 PolarHBondContact O-N 3.18Å; L311-C337 PolarHBondContact O-SG 3Å; L311-V340 HydrophobicContact CD1-CB 3.8Å; L311-V340 HydrophobicContact CD1-CG1 3.58Å; L311-V340 HydrophobicContact CD1-CG2 4.2Å; L311-L343 HydrophobicContact CD2-CD1 4.03Å; L311-L349 HydrophobicContact CD1-CB 4.22Å; L311-L349 HydrophobicContact CD1-CD2 3.33Å; L311-L349 HydrophobicContact CD1-CG 4.35Å; L311-A394 HydrophobicContact CD2-CB 3.46Å; L311-A394 VanDerWaalsContact CD2-CB 3.46Å
312G97.7Very high96.9Very high1 Ų122.3 Ų22.31%0.0114%0.139CC..THydrogen-bonded Turntrans80.1-8.6-173.100000113.1G314 V315 E323G312-G314 PolarHBondContact O-N 2.78Å; G312-G314 VanDerWaalsContact O-N 3.1Å; G312-V315 WeakPolarHBondContact O-CB 3.34Å; G312-V315 WeakPolarHBondContact O-CG1 3.5Å; G312-V315 PolarHBondContact O-N 2.98Å; G312-E323 WeakPolarHBondContact CA-OE1 3.37Å; G312-E323 PolarHBondContact N-OE1 3.22Å
313G95.3Very high96.9Very high37 Ų3722.6 Ų22.638%0.38114%0.14SC..THydrogen-bonded Turntrans48.1-117.6175.300000113.1Y310 L311 E323Y310-G313 PolarHBondContact O-N 2.79Å; L311-G313 PolarHBondContact O-N 3.18Å; G313-E323 WeakPolarHBondContact CA-OE2 3.32Å; G313-E323 PolarHBondContact N-OE1 2.81Å; G313-E323 PolarHBondContact N-OE2 2.76Å
314G95.9Very high96.9Very high20 Ų2023 Ų2321%0.20614%0.142CC..THydrogen-bonded Turntrans-93.215.5178.100000115.5K240 G312 L316 N317 G319 E324K240-G314 PolarHBondContact NZ-O 3.43Å; G312-G314 PolarHBondContact O-N 2.78Å; G312-G314 VanDerWaalsContact O-N 3.1Å; G314-L316 VanDerWaalsContact C-N 3.3Å; G314-L316 PolarHBondContact O-N 2.72Å; G314-N317 CarbonylContact O-C 3.58Å; G314-N317 VanDerWaalsContact O-C 3.28Å; G314-N317 WeakPolarHBondContact O-CA 3.45Å; G314-N317 PolarHBondContact O-N 2.8Å; G314-G319 PolarHBondContact O-N 2.79Å; G314-G319 VanDerWaalsContact O-N 3.08Å; G314-E324 VanDerWaalsContact C-CG 3.47Å; G314-E324 WeakPolarHBondContact CA-OE1 3.33Å; G314-E324 PolarHBondContact N-OE1 2.94Å
315V98Very high96.8Very high7 Ų724.1 Ų24.14%0.04215%0.147CC..THydrogen-bonded Turntrans-61.4-37.3-169.467.60000112.4K240 G312 N317 E324 F327 L334K240-V315 HydrophobicContact CD-CG2 4.41Å; K240-V315 WeakPolarHBondContact CE-O 3.24Å; K240-V315 PolarHBondContact NZ-O 3.48Å; G312-V315 WeakPolarHBondContact O-CB 3.34Å; G312-V315 WeakPolarHBondContact O-CG1 3.5Å; G312-V315 PolarHBondContact O-N 2.98Å; V315-N317 PolarHBondContact O-N 3.07Å; V315-E324 VanDerWaalsContact CA-CG 3.45Å; V315-E324 HydrophobicContact CB-CB 4.02Å; V315-E324 HydrophobicContact CB-CG 3.83Å; V315-E324 HydrophobicContact CG2-CB 4.27Å; V315-F327 HydrophobicContact CB-CB 4.32Å; V315-F327 HydrophobicContact CG2-CB 3.82Å; V315-L334 HydrophobicContact CB-CD2 4.39Å; V315-L334 HydrophobicContact CG1-CD2 3.36Å; V315-L334 HydrophobicContact CG2-CD2 4.12Å
316L97.3Very high96.8Very high6 Ų624.3 Ų24.33%0.03115%0.148CC..THydrogen-bonded Turntrans-8510175.4-58.8-176.7000113.4Q213 F216 H218 L219 G314 L334Q213-L316 HydrophobicContact CB-CD1 4.31Å; Q213-L316 WeakPolarHBondContact O-CD1 3.28Å; F216-L316 HydrophobicContact CD1-CD1 3.79Å; F216-L316 HydrophobicContact CD1-CD2 3.41Å; F216-L316 VanDerWaalsContact CD1-CD2 3.41Å; F216-L316 HydrophobicContact CD1-CG 4.24Å; F216-L316 HydrophobicContact CE1-CD1 4.05Å; F216-L316 HydrophobicContact CE1-CD2 3.53Å; F216-L316 HydrophobicContact CE1-CG 4.44Å; F216-L316 HydrophobicContact CG-CD2 4.07Å; F216-L316 HydrophobicContact CZ-CD2 4.25Å; H218-L316 CarbonylContact C-O 3.05Å; H218-L316 WeakPolarHBondContact CB-O 3.38Å; L219-L316 WeakPolarHBondContact CA-O 3.43Å; L219-L316 HydrophobicContact CB-CD2 4.49Å; L219-L316 HydrophobicContact CD2-CD2 4.15Å; L219-L316 PolarHBondContact N-O 2.77Å; G314-L316 VanDerWaalsContact C-N 3.3Å; G314-L316 PolarHBondContact O-N 2.72Å; L316-L334 HydrophobicContact CD2-CD2 4.21Å
317N95.2Very high96.8Very high60 Ų6022.5 Ų22.532%0.32114%0.141SC..THydrogen-bonded Turntrans-136.6-129.4177.1-156.9-18.2000111.2K237 K240 G314 V315K237-N317 WeakPolarHBondContact CE-O 3.5Å; K237-N317 WeakPolarHBondContact CE-OD1 3.42Å; K237-N317 WeakPolarHBondContact CG-O 3.41Å; K237-N317 PolarHBondContact NZ-OD1 2.82Å; K237-N317 VanDerWaalsContact NZ-OD1 3.14Å; K240-N317 PolarHBondContact NZ-O 2.99Å; G314-N317 CarbonylContact O-C 3.58Å; G314-N317 VanDerWaalsContact O-C 3.28Å; G314-N317 WeakPolarHBondContact O-CA 3.45Å; G314-N317 PolarHBondContact O-N 2.8Å; V315-N317 PolarHBondContact O-N 3.07Å
318S93.4Very high96.9Very high60 Ų6022.5 Ų22.542%0.4214%0.14SC..THydrogen-bonded Turntrans-95.6-4.9-176.260.40000114.5
319G94.8Very high96.9Very high18 Ų1820.5 Ų20.519%0.18613%0.13CC..  trans-65136.9177.600000110.6K240 G314 E324K240-G319 PolarHBondContact NZ-O 2.94Å; G314-G319 PolarHBondContact O-N 2.79Å; G314-G319 VanDerWaalsContact O-N 3.08Å; G319-E324 WeakPolarHBondContact O-CB 3.4Å; G319-E324 WeakPolarHBondContact O-CG 3.19Å
320C96.4Very high97Very high5 Ų520 Ų203%0.03413%0.126CC..  trans-154.341178.2-146.90000112V236 E324 I325 A364 F367V236-C320 HydrophobicContact CB-CB 4.46Å; V236-C320 HydrophobicContact CG1-CB 3.42Å; V236-C320 VanDerWaalsContact CG1-CB 3.42Å; V236-C320 HydrophobicContact CG2-CB 4.23Å; C320-E324 PolarHBondContact N-OE2 2.78Å; C320-I325 VanDerWaalsContact O-CD1 3.27Å; C320-I325 WeakPolarHBondContact O-CD1 3.44Å; C320-A364 WeakPolarHBondContact O-CA 3.24Å; C320-A364 PolarHBondContact O-N 2.74Å; C320-F367 VanDerWaalsContact SG-CB 3.59Å; C320-F367 VanDerWaalsContact SG-CD1 3.5Å
321V95Very high97Very high55 Ų5517 Ų1733%0.33311%0.114SC..SBendtrans-97.3-154.8172.5-64.70000108.9E323 E324 I325 Y363 A364V321-E323 PolarHBondContact O-N 2.76Å; V321-E324 WeakPolarHBondContact CG2-OE2 3.29Å; V321-E324 PolarHBondContact N-OE2 2.8Å; V321-E324 PolarHBondContact O-N 2.85Å; V321-I325 VanDerWaalsContact O-CB 3.29Å; V321-I325 WeakPolarHBondContact O-CB 3.22Å; V321-I325 WeakPolarHBondContact O-CG1 3.21Å; V321-I325 PolarHBondContact O-N 3.07Å; V321-Y363 HydrophobicContact CB-CE1 4.34Å; V321-Y363 HydrophobicContact CB-CE2 4.3Å; V321-Y363 WeakPolarHBondContact CB-OH 3.4Å; V321-Y363 HydrophobicContact CG1-CE1 3.98Å; V321-A364 HydrophobicContact CG1-CB 4.44Å
322Q95.1Very high97.1Very high26 Ų2616.9 Ų16.912%0.12111%0.113CC..Hα-helixtrans-56.5-50.6-169.5-164.9-86.6-1200114V304 F306 M326V304-Q322 PolarHBondContact O-NE2 3.46Å; F306-Q322 HydrophobicContact CB-CB 4.49Å; F306-Q322 HydrophobicContact CD2-CB 3.96Å; F306-Q322 HydrophobicContact CD2-CG 3.83Å; F306-Q322 HydrophobicContact CE2-CG 4.19Å; F306-Q322 HydrophobicContact CG-CB 4.5Å; F306-Q322 HydrophobicContact CG-CG 4.27Å; Q322-M326 VanDerWaalsContact O-CB 3.26Å; Q322-M326 WeakPolarHBondContact O-CB 3.41Å; Q322-M326 PolarHBondContact O-N 2.89Å
323E97.6Very high97.1Very high6 Ų616.8 Ų16.83%0.02811%0.113CC..Hα-helixtrans-62-50.9178.9175.9176.5-15000111.4D305 N308 G312 G313 V321 I325 M326 F327D305-E323 VanDerWaalsContact OD1-CA 3.24Å; D305-E323 WeakPolarHBondContact OD1-CA 3.27Å; D305-E323 WeakPolarHBondContact OD1-CB 3.08Å; D305-E323 WeakPolarHBondContact OD1-CG 3.4Å; N308-E323 WeakPolarHBondContact CB-OE2 3.35Å; N308-E323 VanDerWaalsContact N-CD 3.34Å; N308-E323 PolarHBondContact N-OE1 2.89Å; N308-E323 PolarHBondContact N-OE2 2.74Å; G312-E323 WeakPolarHBondContact CA-OE1 3.37Å; G312-E323 PolarHBondContact N-OE1 3.22Å; G313-E323 WeakPolarHBondContact CA-OE2 3.32Å; G313-E323 PolarHBondContact N-OE1 2.81Å; G313-E323 PolarHBondContact N-OE2 2.76Å; V321-E323 PolarHBondContact O-N 2.76Å; E323-I325 PolarHBondContact O-N 3.03Å; E323-M326 WeakPolarHBondContact O-CB 3.49Å; E323-M326 PolarHBondContact O-N 3.13Å; E323-M326 VanDerWaalsContact O-N 3.16Å; E323-F327 HydrophobicContact CG-CD2 4.04Å; E323-F327 HydrophobicContact CG-CE2 3.96Å; E323-F327 VanDerWaalsContact O-CD2 3.25Å; E323-F327 WeakPolarHBondContact O-CD2 3.34Å; E323-F327 PolarHBondContact O-N 3.47Å
324E98.4Very high97.3Very high14 Ų1415.1 Ų15.17%0.06510%0.095CC..Hα-helixtrans-68.3-36.7-174.9-64.691.2-169.500112.9G314 V315 G319 C320 V321 M326 F327 A328G314-E324 VanDerWaalsContact C-CG 3.47Å; G314-E324 WeakPolarHBondContact CA-OE1 3.33Å; G314-E324 PolarHBondContact N-OE1 2.94Å; V315-E324 VanDerWaalsContact CA-CG 3.45Å; V315-E324 HydrophobicContact CB-CB 4.02Å; V315-E324 HydrophobicContact CB-CG 3.83Å; V315-E324 HydrophobicContact CG2-CB 4.27Å; G319-E324 WeakPolarHBondContact O-CB 3.4Å; G319-E324 WeakPolarHBondContact O-CG 3.19Å; C320-E324 PolarHBondContact N-OE2 2.78Å; V321-E324 WeakPolarHBondContact CG2-OE2 3.29Å; V321-E324 PolarHBondContact N-OE2 2.8Å; V321-E324 PolarHBondContact O-N 2.85Å; E324-M326 VanDerWaalsContact C-N 3.35Å; E324-F327 PolarHBondContact O-N 3.11Å; E324-A328 VanDerWaalsContact O-CB 3.29Å; E324-A328 WeakPolarHBondContact O-CB 3.36Å; E324-A328 PolarHBondContact O-N 3.17Å
325I97.9Very high97.4Very high22 Ų2214.1 Ų14.111%0.1139%0.085CC..Hα-helixtrans-63.4-46172.6-69.7170.5000109.1C320 V321 E323 F327 A328 L329 Y363 F367C320-I325 VanDerWaalsContact O-CD1 3.27Å; C320-I325 WeakPolarHBondContact O-CD1 3.44Å; V321-I325 VanDerWaalsContact O-CB 3.29Å; V321-I325 WeakPolarHBondContact O-CB 3.22Å; V321-I325 WeakPolarHBondContact O-CG1 3.21Å; V321-I325 PolarHBondContact O-N 3.07Å; E323-I325 PolarHBondContact O-N 3.03Å; I325-F327 VanDerWaalsContact C-N 3.34Å; I325-F327 PolarHBondContact O-N 2.91Å; I325-A328 PolarHBondContact O-N 2.98Å; I325-L329 HydrophobicContact CG2-CD1 3.88Å; I325-L329 HydrophobicContact CG2-CG 4.26Å; I325-L329 VanDerWaalsContact O-CG 3.32Å; I325-L329 WeakPolarHBondContact O-CG 3.32Å; I325-L329 PolarHBondContact O-N 3.02Å; I325-Y363 HydrophobicContact CD1-CD2 3.94Å; I325-F367 HydrophobicContact CB-CE2 4.38Å; I325-F367 HydrophobicContact CD1-CB 4.43Å; I325-F367 HydrophobicContact CD1-CD2 3.85Å; I325-F367 HydrophobicContact CD1-CG 4.32Å; I325-F367 HydrophobicContact CG1-CD2 3.71Å; I325-F367 HydrophobicContact CG1-CE2 4.02Å; I325-F367 HydrophobicContact CG1-CG 4.09Å; I325-F367 HydrophobicContact CG2-CD2 4.11Å; I325-F367 HydrophobicContact CG2-CE2 3.69Å; I325-F367 HydrophobicContact CG2-CZ 4.44Å
326M98Very high97.5Very high4 Ų413.8 Ų13.82%0.028%0.083CC..Hα-helixtrans-56.2-46.8176.6160.4161.2-17.400112.1D305 Q322 E323 E324 R330 L333 V392D305-M326 HydrophobicContact CB-CE 3.92Å; D305-M326 HydrophobicContact CB-SD 3.66Å; Q322-M326 VanDerWaalsContact O-CB 3.26Å; Q322-M326 WeakPolarHBondContact O-CB 3.41Å; Q322-M326 PolarHBondContact O-N 2.89Å; E323-M326 WeakPolarHBondContact O-CB 3.49Å; E323-M326 PolarHBondContact O-N 3.13Å; E323-M326 VanDerWaalsContact O-N 3.16Å; E324-M326 VanDerWaalsContact C-N 3.35Å; M326-R330 WeakPolarHBondContact O-CB 3.39Å; M326-R330 PolarHBondContact O-N 3.35Å; M326-R330 PolarHBondContact SD-NH2 3.43Å; M326-L333 HydrophobicContact CG-CD1 3.42Å; M326-L333 VanDerWaalsContact CG-CD1 3.42Å; M326-L333 HydrophobicContact SD-CD1 4Å; M326-V392 HydrophobicContact SD-CG1 3.62Å; M326-V392 HydrophobicContact SD-CG2 4.06Å
327F98.7Very high97.5Very high0 Ų013.6 Ų13.60%08%0.082CC..Hα-helixtrans-71.4-32180-83.4-125.1000112.6D305 V315 E323 E324 I325 R330 P331 L333 L334D305-F327 WeakPolarHBondContact OD2-CE2 3.48Å; V315-F327 HydrophobicContact CB-CB 4.32Å; V315-F327 HydrophobicContact CG2-CB 3.82Å; E323-F327 HydrophobicContact CG-CD2 4.04Å; E323-F327 HydrophobicContact CG-CE2 3.96Å; E323-F327 VanDerWaalsContact O-CD2 3.25Å; E323-F327 WeakPolarHBondContact O-CD2 3.34Å; E323-F327 PolarHBondContact O-N 3.47Å; E324-F327 PolarHBondContact O-N 3.11Å; I325-F327 VanDerWaalsContact C-N 3.34Å; I325-F327 PolarHBondContact O-N 2.91Å; F327-R330 CarbonylContact O-C 3.55Å; F327-P331 WeakPolarHBondContact O-CA 3.33Å; F327-L333 HydrophobicContact CD1-CB 3.72Å; F327-L333 HydrophobicContact CD2-CB 4.03Å; F327-L333 HydrophobicContact CD2-CD1 3.8Å; F327-L333 HydrophobicContact CE1-CB 3.8Å; F327-L333 WeakPolarHBondContact CE1-O 3.39Å; F327-L333 HydrophobicContact CE2-CB 4.09Å; F327-L333 HydrophobicContact CE2-CD1 4.03Å; F327-L333 HydrophobicContact CG-CB 3.85Å; F327-L333 HydrophobicContact CG-CD1 4.29Å; F327-L333 HydrophobicContact CZ-CB 3.99Å; F327-L334 HydrophobicContact CB-CD2 4.35Å; F327-L334 HydrophobicContact CD1-CD2 3.93Å; F327-L334 HydrophobicContact CD1-CG 4.18Å
328A98.7Very high97.7Very high1 Ų110.8 Ų10.81%0.0087%0.067CC..Hα-helixtrans-68-44.9174.300000111.4K240 C243 E324 I325 R330 P331K240-A328 HydrophobicContact CB-CB 4.34Å; K240-A328 HydrophobicContact CG-CB 3.94Å; C243-A328 HydrophobicContact CB-CB 4.23Å; C243-A328 WeakPolarHBondContact CB-O 3.49Å; E324-A328 VanDerWaalsContact O-CB 3.29Å; E324-A328 WeakPolarHBondContact O-CB 3.36Å; E324-A328 PolarHBondContact O-N 3.17Å; I325-A328 PolarHBondContact O-N 2.98Å; A328-R330 VanDerWaalsContact C-N 3.32Å; A328-R330 PolarHBondContact O-N 2.6Å; A328-P331 WeakPolarHBondContact O-CD 3.39Å; A328-P331 VanDerWaalsContact O-CG 3.31Å; A328-P331 WeakPolarHBondContact O-CG 3.24Å
329L98.4Very high97.9Very high11 Ų117.9 Ų7.96%0.0585%0.047CC..Hα-helixtrans-73.2-24.5179.4-60.2-178.9000113.2I325 Q356 Y357 S358 F367I325-L329 HydrophobicContact CG2-CD1 3.88Å; I325-L329 HydrophobicContact CG2-CG 4.26Å; I325-L329 VanDerWaalsContact O-CG 3.32Å; I325-L329 WeakPolarHBondContact O-CG 3.32Å; I325-L329 PolarHBondContact O-N 3.02Å; L329-Q356 HydrophobicContact CB-CG 4.36Å; L329-Q356 WeakPolarHBondContact O-CA 3.4Å; L329-Y357 PolarHBondContact O-N 2.9Å; L329-S358 PolarHBondContact O-N 3.42Å; L329-F367 HydrophobicContact CD2-CE2 4.36Å; L329-F367 HydrophobicContact CD2-CZ 4.04Å
330R98.5Very high98.1Very high1 Ų17.1 Ų7.10%0.0044%0.038CC..SBendtrans-122.873.6175.5-66.8174.2-80.8-160.3-8.9111.4M326 F327 A328 E332 L333 E355 Q356M326-R330 WeakPolarHBondContact O-CB 3.39Å; M326-R330 PolarHBondContact O-N 3.35Å; M326-R330 PolarHBondContact SD-NH2 3.43Å; F327-R330 CarbonylContact O-C 3.55Å; A328-R330 VanDerWaalsContact C-N 3.32Å; A328-R330 PolarHBondContact O-N 2.6Å; R330-E332 PolarHBondContact O-N 3.49Å; R330-L333 HydrophobicContact CB-CD1 3.77Å; R330-L333 HydrophobicContact CB-CG 3.84Å; R330-L333 WeakPolarHBondContact O-CB 3.26Å; R330-L333 VanDerWaalsContact O-CG 3.32Å; R330-L333 WeakPolarHBondContact O-CG 3.39Å; R330-L333 PolarHBondContact O-N 2.93Å; R330-E355 WeakPolarHBondContact CA-O 3.42Å; R330-E355 WeakPolarHBondContact CB-O 3.33Å; R330-E355 WeakPolarHBondContact CG-O 3.41Å; R330-Q356 HydrophobicContact CG-CB 3.66Å; R330-Q356 HydrophobicContact CG-CG 4.19Å
331P98.9Very high98.2Very high0 Ų08.4 Ų8.40%04%0.044CC..G310 helixtrans-58.4-22.4-172.9-32.543.2000115L188 I244 Y247 F327 A328 L333 L334L188-P331 HydrophobicContact CD1-CB 4.46Å; L188-P331 VanDerWaalsContact CD1-O 3.23Å; L188-P331 WeakPolarHBondContact CD1-O 3.2Å; I244-P331 HydrophobicContact CD1-CB 3.83Å; I244-P331 HydrophobicContact CD1-CG 3.85Å; Y247-P331 HydrophobicContact CD1-CB 3.99Å; Y247-P331 HydrophobicContact CD2-CB 4.15Å; Y247-P331 HydrophobicContact CD2-CG 4.37Å; Y247-P331 HydrophobicContact CE1-CB 4.49Å; Y247-P331 HydrophobicContact CG-CB 3.79Å; Y247-P331 HydrophobicContact CG-CG 3.97Å; F327-P331 WeakPolarHBondContact O-CA 3.33Å; A328-P331 WeakPolarHBondContact O-CD 3.39Å; A328-P331 VanDerWaalsContact O-CG 3.31Å; A328-P331 WeakPolarHBondContact O-CG 3.24Å; P331-L333 PolarHBondContact O-N 3.03Å; P331-L334 HydrophobicContact CB-CD1 4.33Å; P331-L334 VanDerWaalsContact O-CB 3.24Å; P331-L334 WeakPolarHBondContact O-CB 3.48Å; P331-L334 PolarHBondContact O-N 3.23Å
332E98.9Very high98.3Very high0 Ų011.4 Ų11.40%05%0.05CC..G310 helixtrans-60.6-22.4174.7-65.9178.1175.500113.5Q181 I184 Y247 V260 R330 L334 V335 A354 E355 Y357Q181-E332 WeakPolarHBondContact CG-OE1 3.36Å; Q181-E332 PolarHBondContact NE2-OE1 2.81Å; Q181-E332 PolarHBondContact NE2-OE2 3.29Å; I184-E332 HydrophobicContact CG2-CB 4.06Å; I184-E332 HydrophobicContact CG2-CG 3.95Å; Y247-E332 HydrophobicContact CE2-CG 3.85Å; V260-E332 WeakPolarHBondContact CG2-OE2 3.41Å; R330-E332 PolarHBondContact O-N 3.49Å; E332-L334 VanDerWaalsContact C-N 3.28Å; E332-L334 PolarHBondContact O-N 3.03Å; E332-V335 VanDerWaalsContact O-CG1 3.24Å; E332-V335 WeakPolarHBondContact O-CG1 3.4Å; E332-V335 PolarHBondContact O-N 2.97Å; E332-A354 HydrophobicContact CB-CB 4.14Å; E332-A354 WeakPolarHBondContact OE2-CA 3.41Å; E332-E355 PolarHBondContact OE2-N 3.06Å; E332-Y357 HydrophobicContact CG-CE2 4.07Å; E332-Y357 WeakPolarHBondContact OE1-CE2 3.43Å; E332-Y357 PolarHBondContact OE1-OH 2.68Å
333L98.9Very high98.5Very high0 Ų010.5 Ų10.50%05%0.045CC..G310 helixtrans-64.5-31.9173.1-59.1-179.9000112.1M326 F327 R330 P331 V335 S336 I351 A354 V392M326-L333 HydrophobicContact CG-CD1 3.42Å; M326-L333 VanDerWaalsContact CG-CD1 3.42Å; M326-L333 HydrophobicContact SD-CD1 4Å; F327-L333 HydrophobicContact CD1-CB 3.72Å; F327-L333 HydrophobicContact CD2-CB 4.03Å; F327-L333 HydrophobicContact CD2-CD1 3.8Å; F327-L333 HydrophobicContact CE1-CB 3.8Å; F327-L333 WeakPolarHBondContact CE1-O 3.39Å; F327-L333 HydrophobicContact CE2-CB 4.09Å; F327-L333 HydrophobicContact CE2-CD1 4.03Å; F327-L333 HydrophobicContact CG-CB 3.85Å; F327-L333 HydrophobicContact CG-CD1 4.29Å; F327-L333 HydrophobicContact CZ-CB 3.99Å; R330-L333 HydrophobicContact CB-CD1 3.77Å; R330-L333 HydrophobicContact CB-CG 3.84Å; R330-L333 WeakPolarHBondContact O-CB 3.26Å; R330-L333 VanDerWaalsContact O-CG 3.32Å; R330-L333 WeakPolarHBondContact O-CG 3.39Å; R330-L333 PolarHBondContact O-N 2.93Å; P331-L333 PolarHBondContact O-N 3.03Å; L333-V335 PolarHBondContact O-N 3.36Å; L333-V335 VanDerWaalsContact O-N 3.14Å; L333-S336 WeakPolarHBondContact O-CB 3.35Å; L333-S336 PolarHBondContact O-N 3.06Å; L333-S336 PolarHBondContact O-OG 3.38Å; L333-I351 HydrophobicContact CD2-CB 4.08Å; L333-I351 HydrophobicContact CD2-CD1 3.64Å; L333-I351 HydrophobicContact CD2-CG1 4.47Å; L333-I351 HydrophobicContact CD2-CG2 3.75Å; L333-A354 HydrophobicContact CD2-CB 3.47Å; L333-A354 VanDerWaalsContact CD2-CB 3.47Å; L333-A354 HydrophobicContact CG-CB 4.21Å; L333-V392 HydrophobicContact CD2-CG2 4.36Å
334L98.9Very high98.5Very high1 Ų111.1 Ų11.11%0.0055%0.053CC..G310 helixtrans-61.3-24.7-177.9-70.4163.6000113.2L188 I214 F216 I244 V315 L316 F327 P331 E332 S336 C337L188-L334 HydrophobicContact CD2-CB 3.74Å; I214-L334 WeakPolarHBondContact CD1-O 3.4Å; F216-L334 HydrophobicContact CZ-CD1 4.03Å; I244-L334 HydrophobicContact CD1-CD1 3.47Å; I244-L334 VanDerWaalsContact CD1-CD1 3.47Å; V315-L334 HydrophobicContact CB-CD2 4.39Å; V315-L334 HydrophobicContact CG1-CD2 3.36Å; V315-L334 HydrophobicContact CG2-CD2 4.12Å; L316-L334 HydrophobicContact CD2-CD2 4.21Å; F327-L334 HydrophobicContact CB-CD2 4.35Å; F327-L334 HydrophobicContact CD1-CD2 3.93Å; F327-L334 HydrophobicContact CD1-CG 4.18Å; P331-L334 HydrophobicContact CB-CD1 4.33Å; P331-L334 VanDerWaalsContact O-CB 3.24Å; P331-L334 WeakPolarHBondContact O-CB 3.48Å; P331-L334 PolarHBondContact O-N 3.23Å; E332-L334 VanDerWaalsContact C-N 3.28Å; E332-L334 PolarHBondContact O-N 3.03Å; L334-S336 PolarHBondContact O-N 3.22Å; L334-C337 WeakPolarHBondContact O-CB 3Å; L334-C337 PolarHBondContact O-N 2.57Å; L334-C337 PolarHBondContact O-SG 2.76Å
335V98.9Very high98.3Very high0 Ų017.6 Ų17.60%08%0.081CC..G310 helixtrans-66.2-22.7179.281.20000111.6I184 L187 L188 F262 E332 L333 C337 L338 F339I184-V335 HydrophobicContact CD1-CG1 4.27Å; I184-V335 HydrophobicContact CG1-CG1 4.09Å; I184-V335 HydrophobicContact CG2-CB 3.96Å; I184-V335 HydrophobicContact CG2-CG1 4.06Å; I184-V335 HydrophobicContact CG2-CG2 4.36Å; L187-V335 HydrophobicContact CB-CG2 3.95Å; L187-V335 HydrophobicContact CD1-CG2 3.7Å; L187-V335 HydrophobicContact CG-CG2 4.47Å; L188-V335 HydrophobicContact CD2-CB 4.34Å; F262-V335 HydrophobicContact CE1-CG1 3.71Å; F262-V335 HydrophobicContact CE2-CG1 3.76Å; F262-V335 HydrophobicContact CZ-CG1 3.17Å; E332-V335 VanDerWaalsContact O-CG1 3.24Å; E332-V335 WeakPolarHBondContact O-CG1 3.4Å; E332-V335 PolarHBondContact O-N 2.97Å; L333-V335 PolarHBondContact O-N 3.36Å; L333-V335 VanDerWaalsContact O-N 3.14Å; V335-C337 PolarHBondContact O-N 2.72Å; V335-L338 WeakPolarHBondContact O-CB 3.21Å; V335-L338 PolarHBondContact O-N 3.45Å; V335-F339 HydrophobicContact CG1-CE1 4.12Å; V335-F339 HydrophobicContact CG1-CZ 4.34Å; V335-F339 HydrophobicContact CG2-CE1 4.16Å; V335-F339 WeakPolarHBondContact O-CD1 3.39Å; V335-F339 WeakPolarHBondContact O-CE1 3.1Å
336S98.9Very high98.2Very high0 Ų018.5 Ų18.50%09%0.086CC..Hα-helixtrans-59.2-34.8172.467.10000112.1L333 L334 L338 F339 V340L333-S336 WeakPolarHBondContact O-CB 3.35Å; L333-S336 PolarHBondContact O-N 3.06Å; L333-S336 PolarHBondContact O-OG 3.38Å; L334-S336 PolarHBondContact O-N 3.22Å; S336-L338 PolarHBondContact O-N 2.99Å; S336-L338 VanDerWaalsContact O-N 3.07Å; S336-F339 PolarHBondContact O-N 3.41Å; S336-F339 VanDerWaalsContact O-N 3.17Å; S336-V340 WeakPolarHBondContact O-CB 3.43Å; S336-V340 WeakPolarHBondContact O-CG2 3.31Å; S336-V340 PolarHBondContact O-N 3.19Å
337C98.7Very high98.2Very high1 Ų118.3 Ų18.31%0.0079%0.085CC..Hα-helixtrans-60-20175.3-56.10000112.8R199 P212 Q213 I214 L311 L334 V335R199-C337 PolarHBondContact NH2-O 3.16Å; P212-C337 HydrophobicContact CB-CB 3.85Å; P212-C337 HydrophobicContact CG-CB 4.37Å; Q213-C337 WeakPolarHBondContact O-CB 3.18Å; I214-C337 HydrophobicContact CD1-CB 4.1Å; L311-C337 PolarHBondContact O-SG 3Å; L334-C337 WeakPolarHBondContact O-CB 3Å; L334-C337 PolarHBondContact O-N 2.57Å; L334-C337 PolarHBondContact O-SG 2.76Å; V335-C337 PolarHBondContact O-N 2.72Å
338L98.7Very high98.2Very high1 Ų118.3 Ų18.31%0.0059%0.085CC..Hα-helixtrans-73.2-39.9178.4-177.560.8000112.2V65 I166 L187 F196 R199 I214 V335 S336V65-L338 HydrophobicContact CG1-CD1 3.68Å; V65-L338 HydrophobicContact CG1-CD2 4.11Å; V65-L338 HydrophobicContact CG1-CG 3.85Å; V65-L338 HydrophobicContact CG2-CG 4.07Å; I166-L338 HydrophobicContact CD1-CD2 4.31Å; L187-L338 HydrophobicContact CB-CD2 4.48Å; L187-L338 HydrophobicContact CD1-CD2 4.4Å; L187-L338 HydrophobicContact CD2-CD2 3.79Å; L187-L338 HydrophobicContact CG-CD2 4.46Å; F196-L338 HydrophobicContact CD1-CD1 3.57Å; F196-L338 HydrophobicContact CD2-CD1 4.07Å; F196-L338 HydrophobicContact CE1-CD1 3.49Å; F196-L338 VanDerWaalsContact CE1-CD1 3.49Å; F196-L338 HydrophobicContact CE1-CD2 3.81Å; F196-L338 HydrophobicContact CE1-CG 4.31Å; F196-L338 HydrophobicContact CE2-CD1 3.98Å; F196-L338 HydrophobicContact CE2-CD2 4.43Å; F196-L338 HydrophobicContact CG-CD1 3.88Å; F196-L338 HydrophobicContact CZ-CD1 3.7Å; F196-L338 HydrophobicContact CZ-CD2 3.65Å; F196-L338 HydrophobicContact CZ-CG 4.33Å; R199-L338 PolarHBondContact NH1-O 3.11Å; I214-L338 HydrophobicContact CD1-CB 4.22Å; I214-L338 HydrophobicContact CG1-CB 4.13Å; I214-L338 HydrophobicContact CG1-CD1 4.11Å; I214-L338 HydrophobicContact CG2-CD1 4.23Å; V335-L338 WeakPolarHBondContact O-CB 3.21Å; V335-L338 PolarHBondContact O-N 3.45Å; S336-L338 PolarHBondContact O-N 2.99Å; S336-L338 VanDerWaalsContact O-N 3.07Å
339F98.6Very high98.2Very high0 Ų018.2 Ų18.20%09%0.085CC..Hα-helixtrans-129.5-7.9-16655.1-106.8000115.4V65 I166 L168 L169 L177 L179 F262 V335 S336V65-F339 HydrophobicContact CG2-CB 3.82Å; I166-F339 HydrophobicContact CG2-CB 3.85Å; I166-F339 HydrophobicContact CG2-CD1 3.84Å; I166-F339 HydrophobicContact CG2-CG 4.01Å; L168-F339 CarbonylContact C-O 3.5Å; L168-F339 HydrophobicContact CD2-CB 4.49Å; L169-F339 HydrophobicContact CD1-CD2 3.92Å; L169-F339 HydrophobicContact CD1-CE2 4Å; L169-F339 HydrophobicContact CG-CD2 3.99Å; L169-F339 PolarHBondContact N-O 3.35Å; L177-F339 HydrophobicContact CD1-CD1 4.41Å; L177-F339 HydrophobicContact CD1-CD2 3.64Å; L177-F339 HydrophobicContact CD1-CE2 3.78Å; L177-F339 HydrophobicContact CD1-CG 3.99Å; L177-F339 HydrophobicContact CD1-CZ 4.22Å; L179-F339 HydrophobicContact CD1-CE1 4.25Å; L179-F339 HydrophobicContact CD1-CZ 4.3Å; F262-F339 HydrophobicContact CB-CE2 3.92Å; F262-F339 HydrophobicContact CB-CZ 4.05Å; F262-F339 HydrophobicContact CD1-CE2 4.33Å; F262-F339 AromaticContact CD1-CZ 3.95Å; F262-F339 HydrophobicContact CD1-CZ 3.95Å; F262-F339 AromaticContact CD2-CZ 3.83Å; F262-F339 HydrophobicContact CD2-CZ 3.83Å; F262-F339 HydrophobicContact CE1-CZ 4.4Å; F262-F339 HydrophobicContact CE2-CZ 4.31Å; F262-F339 HydrophobicContact CG-CE2 4.03Å; F262-F339 AromaticContact CG-CZ 3.66Å; F262-F339 HydrophobicContact CG-CZ 3.66Å; V335-F339 HydrophobicContact CG1-CE1 4.12Å; V335-F339 HydrophobicContact CG1-CZ 4.34Å; V335-F339 HydrophobicContact CG2-CE1 4.16Å; V335-F339 WeakPolarHBondContact O-CD1 3.39Å; V335-F339 WeakPolarHBondContact O-CE1 3.1Å; S336-F339 PolarHBondContact O-N 3.41Å; S336-F339 VanDerWaalsContact O-N 3.17Å
340V98.6Very high98.2Very high1 Ų117.8 Ų17.81%0.0068%0.082CC..BIsolated β-bridgetrans-94.2117.5178.8-175.40000110L169 F211 P212 L311 S336 L343 L349L169-V340 HydrophobicContact CB-CG2 4.46Å; L169-V340 HydrophobicContact CD1-CG2 4.12Å; F211-V340 WeakPolarHBondContact CD1-O 3.26Å; P212-V340 WeakPolarHBondContact CD-O 3.42Å; L311-V340 HydrophobicContact CD1-CB 3.8Å; L311-V340 HydrophobicContact CD1-CG1 3.58Å; L311-V340 HydrophobicContact CD1-CG2 4.2Å; S336-V340 WeakPolarHBondContact O-CB 3.43Å; S336-V340 WeakPolarHBondContact O-CG2 3.31Å; S336-V340 PolarHBondContact O-N 3.19Å; V340-L343 HydrophobicContact CG1-CD2 4.43Å; V340-L349 HydrophobicContact CG1-CD1 4.45Å; V340-L349 HydrophobicContact CG2-CD1 4Å; V340-L349 HydrophobicContact CG2-CD2 4.06Å
341E98.1Very high98.3Very high33 Ų3317.7 Ų17.715%0.1548%0.082CC..  trans-66.7155.5170.7-168.2175.7-167.800109.9L169 S170 C171 N210 F211 R264 L343L169-E341 PolarHBondContact O-N 3.39Å; L169-E341 VanDerWaalsContact O-N 3.13Å; S170-E341 WeakPolarHBondContact CA-OE2 3.35Å; S170-E341 WeakPolarHBondContact CB-OE2 3.5Å; C171-E341 PolarHBondContact N-OE2 3.08Å; N210-E341 HydrophobicContact CB-CG 3.78Å; N210-E341 WeakPolarHBondContact CB-OE1 3.29Å; N210-E341 PolarHBondContact ND2-OE1 2.89Å; N210-E341 WeakPolarHBondContact O-CG 3.26Å; F211-E341 HydrophobicContact CD1-CB 4.34Å; F211-E341 HydrophobicContact CD2-CG 4.48Å; F211-E341 HydrophobicContact CE1-CB 3.76Å; F211-E341 VanDerWaalsContact CE1-N 3.29Å; F211-E341 HydrophobicContact CE2-CB 4.16Å; F211-E341 HydrophobicContact CE2-CG 4.04Å; F211-E341 HydrophobicContact CZ-CB 3.65Å; F211-E341 HydrophobicContact CZ-CG 4.05Å; R264-E341 PolarHBondContact NH1-O 3.23Å; R264-E341 PolarHBondContact NH2-O 3.06Å; E341-L343 PolarHBondContact O-N 3.46Å
342R97.7Very high98.2Very high118 Ų11818.3 Ų18.345%0.4459%0.085SC..  trans-41.1134.4173.5-172.4-167.9-176.5-178.5-9.2111.8N210 R264 S309 Y310N210-R342 WeakPolarHBondContact O-CB 3.44Å; N210-R342 PolarHBondContact O-N 3.31Å; R264-R342 PolarHBondContact NH2-O 3.32Å; S309-R342 CarbonylContact O-C 3.55Å; S309-R342 VanDerWaalsContact O-CA 3.24Å; S309-R342 WeakPolarHBondContact O-CA 3.35Å; S309-R342 WeakPolarHBondContact O-CG 3.3Å; S309-R342 PolarHBondContact OG-NE 2.75Å; Y310-R342 HydrophobicContact CD1-CB 4.21Å; Y310-R342 HydrophobicContact CD1-CG 4.38Å; Y310-R342 HydrophobicContact CD2-CG 3.91Å; Y310-R342 HydrophobicContact CE1-CB 4.04Å; Y310-R342 HydrophobicContact CE1-CG 4.29Å; Y310-R342 HydrophobicContact CE2-CB 4.42Å; Y310-R342 HydrophobicContact CE2-CG 3.79Å; Y310-R342 HydrophobicContact CG-CB 4.49Å; Y310-R342 HydrophobicContact CG-CG 4.21Å
343L98.4Very high98.2Very high7 Ų718.3 Ų18.34%0.0379%0.085CC..  trans-67.7132.4178.2-58.7180000110.8S309 L311 V340 E341 L349S309-L343 PolarHBondContact O-N 2.76Å; L311-L343 HydrophobicContact CD2-CD1 4.03Å; V340-L343 HydrophobicContact CG1-CD2 4.43Å; E341-L343 PolarHBondContact O-N 3.46Å; L343-L349 HydrophobicContact CD2-CB 4.48Å
344G96.9Very high98.1Very high18 Ų1818.3 Ų18.319%0.1869%0.085CC..  trans-79.5171.7168.500000112.4D346 E347 K418G344-D346 PolarHBondContact O-N 3.04Å; G344-D346 VanDerWaalsContact O-N 3.13Å; G344-E347 WeakPolarHBondContact CA-OE2 3.37Å; G344-E347 PolarHBondContact N-OE2 3.21Å; G344-E347 PolarHBondContact O-N 3.3Å; G344-E347 VanDerWaalsContact O-N 3.14Å; G344-K418 PolarHBondContact O-NZ 3.24Å
345F95.4Very high98.1Very high151 Ų15118.9 Ų18.966%0.6629%0.088SC*.THydrogen-bonded Turntrans-60.4-25-174.9-62.2-50.6000115R414 K418F345-R414 HydrophobicContact CB-CG 4.22Å; F345-R414 HydrophobicContact CD1-CG 4.36Å; F345-K418 WeakPolarHBondContact O-CE 3.37Å
346D95.9Very high98Very high40 Ų4019.7 Ų19.721%0.2149%0.092CC..THydrogen-bonded Turntrans-11216.6-178.169.6-48.4000112.5C266 L267 G268 G344 C421C266-D346 PolarHBondContact SG-OD2 3.21Å; L267-D346 HydrophobicContact CB-CB 4.22Å; L267-D346 WeakPolarHBondContact CB-O 3.33Å; L267-D346 PolarHBondContact N-O 3.44Å; G268-D346 PolarHBondContact N-OD2 2.63Å; G344-D346 PolarHBondContact O-N 3.04Å; G344-D346 VanDerWaalsContact O-N 3.13Å; D346-C421 PolarHBondContact O-SG 3.46Å
347E98.2Very high98Very high0 Ų019.9 Ų19.90%09%0.092CC..EExtended strand (participates in β ladder)trans-118.4148.2-174.2-61.2-176113.200113.4C171 R172 R264 R265 C266 G344 K418C171-E347 PolarHBondContact SG-OE2 2.9Å; C171-E347 VanDerWaalsContact SG-OE2 3.37Å; R172-E347 WeakPolarHBondContact CA-OE1 3.22Å; R172-E347 PolarHBondContact N-OE1 2.85Å; R264-E347 IonicContact CZ-OE1 3.85Å; R264-E347 IonicContact CZ-OE2 3.92Å; R264-E347 IonicContact NE-OE1 3.16Å; R264-E347 PolarHBondContact NE-OE1 3.44Å; R264-E347 IonicContact NE-OE2 2.79Å; R264-E347 IonicContact NH2-OE1 3.7Å; R264-E347 PolarHBondContact NH2-OE1 3Å; R264-E347 IonicContact NH2-OE2 3.19Å; R264-E347 PolarHBondContact NH2-OE2 3.17Å; R265-E347 WeakPolarHBondContact O-CA 3.5Å; R265-E347 VanDerWaalsContact O-CB 3.28Å; R265-E347 WeakPolarHBondContact O-CB 3.4Å; C266-E347 HydrophobicContact CB-CG 4.14Å; G344-E347 WeakPolarHBondContact CA-OE2 3.37Å; G344-E347 PolarHBondContact N-OE2 3.21Å; G344-E347 PolarHBondContact O-N 3.3Å; G344-E347 VanDerWaalsContact O-N 3.14Å; E347-K418 WeakPolarHBondContact O-CD 3.49Å; E347-K418 WeakPolarHBondContact O-CE 3.18Å; E347-K418 PolarHBondContact O-NZ 2.96Å
348T98.6Very high98Very high0 Ų019.9 Ų19.90%09%0.092CC..EExtended strand (participates in β ladder)trans-137.8165.7172.257.90000109.8R265 A394 M395 K418 C421R265-T348 PolarHBondContact N-O 3.28Å; R265-T348 PolarHBondContact O-N 2.79Å; R265-T348 VanDerWaalsContact O-N 3.15Å; T348-A394 WeakPolarHBondContact CB-O 3.44Å; T348-M395 HydrophobicContact CG2-CB 3.76Å; T348-K418 HydrophobicContact CG2-CD 3.8Å; T348-C421 HydrophobicContact CG2-CB 4.15Å
349L98.8Very high97.9Very high0 Ų022.4 Ų22.40%011%0.107CC..EExtended strand (participates in β ladder)trans-115.9126.4168-177.378.8000109.6F262 R264 L311 V340 L343 I351 V393 A394F262-L349 HydrophobicContact CB-CD1 4.38Å; F262-L349 HydrophobicContact CD1-CD2 4.43Å; R264-L349 HydrophobicContact CB-CD1 4.47Å; L311-L349 HydrophobicContact CD1-CB 4.22Å; L311-L349 HydrophobicContact CD1-CD2 3.33Å; L311-L349 HydrophobicContact CD1-CG 4.35Å; V340-L349 HydrophobicContact CG1-CD1 4.45Å; V340-L349 HydrophobicContact CG2-CD1 4Å; V340-L349 HydrophobicContact CG2-CD2 4.06Å; L343-L349 HydrophobicContact CD2-CB 4.48Å; L349-I351 HydrophobicContact CD2-CD1 3.66Å; L349-I351 HydrophobicContact CD2-CG1 3.59Å; L349-I351 HydrophobicContact CG-CD1 4.47Å; L349-I351 HydrophobicContact CG-CG1 3.93Å; L349-V393 WeakPolarHBondContact O-CA 3.33Å; L349-A394 HydrophobicContact CB-CB 4.29Å; L349-A394 PolarHBondContact N-O 3.1Å; L349-A394 VanDerWaalsContact N-O 3.11Å; L349-A394 PolarHBondContact O-N 3.27Å
350I98.7Very high97.7Very high1 Ų123.7 Ų23.71%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-96.5128.5168.1-50.4-57.5000109F262 T263 R265 L302 E352 A391 V392 V393 L433F262-I350 CarbonylContact C-O 3.5Å; F262-I350 WeakPolarHBondContact CA-O 3.2Å; T263-I350 PolarHBondContact N-O 2.51Å; T263-I350 PolarHBondContact O-N 3.17Å; R265-I350 HydrophobicContact CG-CG1 4.08Å; R265-I350 VanDerWaalsContact NE-CG1 3.35Å; L302-I350 HydrophobicContact CD1-CD1 4.42Å; I350-E352 HydrophobicContact CG2-CG 3.96Å; I350-A391 HydrophobicContact CG2-CB 4.22Å; I350-V392 CarbonylContact C-O 3.05Å; I350-V392 WeakPolarHBondContact CA-O 3.42Å; I350-V393 HydrophobicContact CD1-CB 3.72Å; I350-V393 HydrophobicContact CD1-CG2 3.58Å; I350-L433 HydrophobicContact CD1-CD1 4.17Å; I350-L433 HydrophobicContact CG1-CD2 4.28Å; I350-L433 HydrophobicContact CG2-CD2 3.71Å
351I98.8Very high97.6Very high0 Ų026.5 Ų26.50%014%0.14CC..EExtended strand (participates in β ladder)trans-120.2107175.7-48.6171.6000108.8V260 T261 F262 L333 L349 A354 A391 V392V260-I351 HydrophobicContact CG1-CG2 3.62Å; T261-I351 CarbonylContact O-C 3.51Å; T261-I351 WeakPolarHBondContact O-CA 3.43Å; F262-I351 HydrophobicContact CD1-CB 4.35Å; F262-I351 HydrophobicContact CD1-CD1 4.16Å; F262-I351 HydrophobicContact CD1-CG1 3.81Å; F262-I351 HydrophobicContact CD1-CG2 3.78Å; F262-I351 HydrophobicContact CE1-CB 4.47Å; F262-I351 HydrophobicContact CE1-CD1 4.16Å; F262-I351 HydrophobicContact CE1-CG1 4.16Å; F262-I351 HydrophobicContact CE1-CG2 3.54Å; F262-I351 HydrophobicContact CG-CG2 4.5Å; F262-I351 HydrophobicContact CZ-CG2 4.07Å; L333-I351 HydrophobicContact CD2-CB 4.08Å; L333-I351 HydrophobicContact CD2-CD1 3.64Å; L333-I351 HydrophobicContact CD2-CG1 4.47Å; L333-I351 HydrophobicContact CD2-CG2 3.75Å; L349-I351 HydrophobicContact CD2-CD1 3.66Å; L349-I351 HydrophobicContact CD2-CG1 3.59Å; L349-I351 HydrophobicContact CG-CD1 4.47Å; L349-I351 HydrophobicContact CG-CG1 3.93Å; I351-A354 HydrophobicContact CG2-CB 3.97Å; I351-A391 CarbonylContact O-C 3.58Å; I351-A391 WeakPolarHBondContact O-CA 3.28Å; I351-V392 HydrophobicContact CB-CB 4.35Å; I351-V392 PolarHBondContact N-O 3.32Å; I351-V392 PolarHBondContact O-N 2.72Å
352E98.2Very high97.4Very high13 Ų1326.9 Ų26.96%0.06115%0.153CC..EExtended strand (participates in β ladder)trans-100.5126.2-178.1-69153.893.500110.7V260 T261 I350 R387 A391 R431V260-E352 WeakPolarHBondContact CA-O 3.45Å; V260-E352 WeakPolarHBondContact CG1-O 3.49Å; T261-E352 PolarHBondContact N-O 3.15Å; T261-E352 PolarHBondContact O-N 2.81Å; I350-E352 HydrophobicContact CG2-CG 3.96Å; E352-R387 VanDerWaalsContact CB-NH1 3.32Å; E352-R387 IonicContact OE1-CZ 2.81Å; E352-R387 VanDerWaalsContact OE1-CZ 3.32Å; E352-R387 IonicContact OE1-NH1 3.98Å; E352-R387 PolarHBondContact OE1-NH1 3.12Å; E352-R387 IonicContact OE1-NH2 3.63Å; E352-R387 PolarHBondContact OE1-NH2 3.15Å; E352-R387 IonicContact OE2-NH1 3.13Å; E352-R387 PolarHBondContact OE2-NH1 3.27Å; E352-A391 HydrophobicContact CG-CB 3.74Å; E352-R431 IonicContact OE1-NH1 3.73Å; E352-R431 IonicContact OE2-CZ 3.17Å; E352-R431 IonicContact OE2-NH1 3.8Å; E352-R431 PolarHBondContact OE2-NH1 3.37Å
353G97.8Very high97.2Very high0 Ų027.5 Ų27.50%016%0.156CC..SBendtrans902.1170.100000118E355 W388 Y390G353-E355 PolarHBondContact O-N 3.3Å; G353-W388 WeakPolarHBondContact CA-O 3.35Å; G353-Y390 PolarHBondContact N-O 3.37Å
354A98.4Very high97Very high0 Ų028.5 Ų28.50%017%0.165CC..PPolyproline II helixtrans-64.3120.2179.500000110.8V260 E332 L333 I351 Y390V260-A354 HydrophobicContact CG1-CB 3.88Å; V260-A354 HydrophobicContact CG2-CB 4.45Å; E332-A354 HydrophobicContact CB-CB 4.14Å; E332-A354 WeakPolarHBondContact OE2-CA 3.41Å; L333-A354 HydrophobicContact CD2-CB 3.47Å; L333-A354 VanDerWaalsContact CD2-CB 3.47Å; L333-A354 HydrophobicContact CG-CB 4.21Å; I351-A354 HydrophobicContact CG2-CB 3.97Å; A354-Y390 VanDerWaalsContact O-CZ 3.26Å; A354-Y390 PolarHBondContact O-OH 3.26Å
355E97.9Very high96.9Very high13 Ų1330.6 Ų30.66%0.06117%0.172CC..PPolyproline II helixtrans-74.2143.3-172.7-179.3160.2178.900113.3Q181 R330 E332 G353 Y357 R382 W388Q181-E355 PolarHBondContact NE2-OE2 2.76Å; R330-E355 WeakPolarHBondContact CA-O 3.42Å; R330-E355 WeakPolarHBondContact CB-O 3.33Å; R330-E355 WeakPolarHBondContact CG-O 3.41Å; E332-E355 PolarHBondContact OE2-N 3.06Å; G353-E355 PolarHBondContact O-N 3.3Å; E355-Y357 HydrophobicContact CB-CD2 4.08Å; E355-Y357 HydrophobicContact CB-CE2 3.46Å; E355-Y357 VanDerWaalsContact CB-CE2 3.46Å; E355-Y357 HydrophobicContact CG-CD2 3.93Å; E355-Y357 HydrophobicContact CG-CE1 4.28Å; E355-Y357 HydrophobicContact CG-CE2 3.6Å; E355-Y357 HydrophobicContact CG-CG 4.42Å; E355-Y357 WeakPolarHBondContact O-CD2 3.15Å; E355-R382 IonicContact OE2-NH2 3.92Å; E355-R382 PolarHBondContact OE2-NH2 2.81Å; E355-R382 VanDerWaalsContact OE2-NH2 3.17Å; E355-W388 PolarHBondContact OE2-NE1 2.69Å
356Q97.5Very high96.8Very high17 Ų1728 Ų288%0.07917%0.166CC..PPolyproline II helixtrans-89.2126.7165.8-178.4172.5-32.100107.7L329 R330 S358 F373 H375L329-Q356 HydrophobicContact CB-CG 4.36Å; L329-Q356 WeakPolarHBondContact O-CA 3.4Å; R330-Q356 HydrophobicContact CG-CB 3.66Å; R330-Q356 HydrophobicContact CG-CG 4.19Å; Q356-S358 VanDerWaalsContact CG-O 3.31Å; Q356-S358 WeakPolarHBondContact CG-O 3.49Å; Q356-S358 PolarHBondContact NE2-O 2.83Å; Q356-F373 HydrophobicContact CB-CD1 3.79Å; Q356-F373 HydrophobicContact CB-CE1 4.21Å; Q356-F373 HydrophobicContact CG-CB 4.13Å; Q356-F373 HydrophobicContact CG-CD1 3.72Å; Q356-F373 HydrophobicContact CG-CE1 4.37Å; Q356-F373 HydrophobicContact CG-CG 4.06Å; Q356-H375 PolarHBondContact N-CE1 2.89Å; Q356-H375 VanDerWaalsContact N-CE1 3.26Å
357Y98.2Very high96.9Very high4 Ų426.2 Ų26.22%0.01616%0.156CC..  trans-111.4-19.6-178.1-72.3-95.2000111.9Q181 H246 Y247 R250 V251 L329 E332 E355 F373Q181-Y357 PolarHBondContact NE2-OH 2.89Å; H246-Y357 PolarHBondContact CD2-O 2.84Å; H246-Y357 PolarHBondContact NE2-O 3.11Å; H246-Y357 VanDerWaalsContact NE2-O 3.16Å; Y247-Y357 AromaticContact CD2-CD1 3.92Å; Y247-Y357 HydrophobicContact CD2-CD1 3.92Å; Y247-Y357 AromaticContact CD2-CD2 3.5Å; Y247-Y357 HydrophobicContact CD2-CD2 3.5Å; Y247-Y357 AromaticContact CD2-CE1 3.82Å; Y247-Y357 HydrophobicContact CD2-CE1 3.82Å; Y247-Y357 AromaticContact CD2-CE2 3.38Å; Y247-Y357 HydrophobicContact CD2-CE2 3.38Å; Y247-Y357 AromaticContact CD2-CG 3.76Å; Y247-Y357 HydrophobicContact CD2-CG 3.76Å; Y247-Y357 AromaticContact CD2-CZ 3.56Å; Y247-Y357 HydrophobicContact CE2-CD2 4.07Å; Y247-Y357 HydrophobicContact CE2-CE1 4.14Å; Y247-Y357 AromaticContact CE2-CE2 3.45Å; Y247-Y357 HydrophobicContact CE2-CE2 3.45Å; Y247-Y357 VanDerWaalsContact CE2-CE2 3.45Å; Y247-Y357 AromaticContact CE2-CZ 3.5Å; R250-Y357 HydrophobicContact CB-CD1 3.8Å; R250-Y357 HydrophobicContact CB-CE1 4.12Å; R250-Y357 HydrophobicContact CG-CD1 4.25Å; V251-Y357 HydrophobicContact CG1-CE1 3.89Å; L329-Y357 PolarHBondContact O-N 2.9Å; E332-Y357 HydrophobicContact CG-CE2 4.07Å; E332-Y357 WeakPolarHBondContact OE1-CE2 3.43Å; E332-Y357 PolarHBondContact OE1-OH 2.68Å; E355-Y357 HydrophobicContact CB-CD2 4.08Å; E355-Y357 HydrophobicContact CB-CE2 3.46Å; E355-Y357 VanDerWaalsContact CB-CE2 3.46Å; E355-Y357 HydrophobicContact CG-CD2 3.93Å; E355-Y357 HydrophobicContact CG-CE1 4.28Å; E355-Y357 HydrophobicContact CG-CE2 3.6Å; E355-Y357 HydrophobicContact CG-CG 4.42Å; E355-Y357 WeakPolarHBondContact O-CD2 3.15Å; Y357-F373 PolarHBondContact O-N 2.86Å
358S98.3Very high96.9Very high0 Ų028 Ų280%017%0.168CC..EExtended strand (participates in β ladder)trans-126.8150.2-175-64.20000111.7L329 Q356 W369 G371L329-S358 PolarHBondContact O-N 3.42Å; Q356-S358 VanDerWaalsContact CG-O 3.31Å; Q356-S358 WeakPolarHBondContact CG-O 3.49Å; Q356-S358 PolarHBondContact NE2-O 2.83Å; S358-W369 VanDerWaalsContact CB-CD1 3.49Å; S358-W369 PolarHBondContact OG-NE1 2.84Å; S358-G371 CarbonylContact C-O 3.49Å; S358-G371 VanDerWaalsContact CA-O 3.32Å; S358-G371 WeakPolarHBondContact CA-O 3.36Å
359V96.8Very high96.9Very high54 Ų5429.8 Ų29.833%0.32718%0.175SC..EExtended strand (participates in β ladder)trans-97.3138.6160.1-1710000107.6T370 G371 F373V359-T370 VanDerWaalsContact C-OG1 3.29Å; V359-T370 WeakPolarHBondContact CG1-OG1 3.33Å; V359-T370 PolarHBondContact O-N 2.78Å; V359-T370 PolarHBondContact O-OG1 3.24Å; V359-T370 VanDerWaalsContact O-OG1 3.12Å; V359-G371 PolarHBondContact N-O 2.86Å; V359-G371 PolarHBondContact O-N 2.8Å; V359-F373 HydrophobicContact CG2-CB 3.76Å; V359-F373 HydrophobicContact CG2-CD2 3.78Å; V359-F373 HydrophobicContact CG2-CG 4.24Å
360G95.6Very high96.9Very high27 Ų2733.4 Ų33.428%0.27820%0.197SC..EExtended strand (participates in β ladder)trans-129.2163.4170.600000110.9C368G360-C368 CarbonylContact C-O 3.56Å; G360-C368 WeakPolarHBondContact CA-O 3.38Å
361S95.5Very high96.8Very high60 Ų6034 Ų3442%0.4220%0.204SC..EExtended strand (participates in β ladder)trans-134.8162.7172.162.80000109.9F367 C368 T370S361-F367 CarbonylContact O-C 3.42Å; S361-F367 WeakPolarHBondContact O-CA 3.46Å; S361-C368 PolarHBondContact N-O 2.84Å; S361-C368 PolarHBondContact O-N 3.41Å; S361-T370 VanDerWaalsContact OG-CG2 3.24Å; S361-T370 WeakPolarHBondContact OG-CG2 3.46Å
362G94.3Very high96.8Very high41 Ų4137 Ų3742%0.42322%0.22SC..  trans80.4179.5-178.500000112.9D366G362-D366 WeakPolarHBondContact CA-OD1 3.41Å
363Y94.2Very high96.7Very high132 Ų13239 Ų3952%0.51823%0.228SC..  trans-154.7135.7-173.4-171.4-94.3000111.7V321 I325 D365 D366V321-Y363 HydrophobicContact CB-CE1 4.34Å; V321-Y363 HydrophobicContact CB-CE2 4.3Å; V321-Y363 WeakPolarHBondContact CB-OH 3.4Å; V321-Y363 HydrophobicContact CG1-CE1 3.98Å; I325-Y363 HydrophobicContact CD1-CD2 3.94Å; Y363-D365 PolarHBondContact O-N 2.84Å; Y363-D366 PolarHBondContact N-OD1 3.48Å
364A94.3Very high96.5Very high27 Ų2740.6 Ų40.622%0.22324%0.237CC..G310 helixtrans58.9-116.7-17300000111.7V236 C320 V321 D366 F367V236-A364 WeakPolarHBondContact CG2-O 3.49Å; C320-A364 WeakPolarHBondContact O-CA 3.24Å; C320-A364 PolarHBondContact O-N 2.74Å; V321-A364 HydrophobicContact CG1-CB 4.44Å; A364-D366 VanDerWaalsContact C-N 3.33Å; A364-D366 PolarHBondContact O-N 2.73Å; A364-F367 PolarHBondContact O-N 2.84Å
365D92.9Very high96.1Very high62 Ų6240.9 Ų40.933%0.33224%0.238SC..G310 helixtrans-77.9-11.6-167.8-65-88.2000115.3R232 H235 Y363R232-D365 WeakPolarHBondContact CB-OD1 3.46Å; R232-D365 VanDerWaalsContact CZ-CG 3.46Å; R232-D365 IonicContact CZ-OD1 3.25Å; R232-D365 IonicContact CZ-OD2 3.58Å; R232-D365 IonicContact NE-OD1 3.81Å; R232-D365 PolarHBondContact NE-OD1 3.32Å; R232-D365 IonicContact NE-OD2 2.81Å; R232-D365 IonicContact NH2-OD1 2.59Å; R232-D365 IonicContact NH2-OD2 2.69Å; R232-D365 PolarHBondContact NH2-OD2 3.28Å; H235-D365 PolarHBondContact CD2-O 2.79Å; Y363-D365 PolarHBondContact O-N 2.84Å
366D95.1Very high95.5Very high98 Ų9843.9 Ų43.952%0.52426%0.261SS..G310 helixtrans-108.89.8176.871.3-11.2000112.9G362 Y363 A364 C368G362-D366 WeakPolarHBondContact CA-OD1 3.41Å; Y363-D366 PolarHBondContact N-OD1 3.48Å; A364-D366 VanDerWaalsContact C-N 3.33Å; A364-D366 PolarHBondContact O-N 2.73Å; D366-C368 PolarHBondContact O-N 2.86Å; D366-C368 PolarHBondContact O-SG 3.3Å; D366-C368 VanDerWaalsContact O-SG 3.34Å
367F97.6Very high95.2Very high1 Ų149.3 Ų49.30%0.00429%0.29CS..  trans-58.8126.7175.6172.4-102.3000111H235 E239 K240 C320 I325 L329 S361 A364H235-F367 PolarHBondContact NE2-O 2.82Å; E239-F367 HydrophobicContact CB-CD1 3.94Å; E239-F367 HydrophobicContact CB-CE1 4.1Å; E239-F367 WeakPolarHBondContact CB-O 3.44Å; E239-F367 WeakPolarHBondContact CG-O 3.44Å; K240-F367 HydrophobicContact CG-CE1 4.26Å; C320-F367 VanDerWaalsContact SG-CB 3.59Å; C320-F367 VanDerWaalsContact SG-CD1 3.5Å; I325-F367 HydrophobicContact CB-CE2 4.38Å; I325-F367 HydrophobicContact CD1-CB 4.43Å; I325-F367 HydrophobicContact CD1-CD2 3.85Å; I325-F367 HydrophobicContact CD1-CG 4.32Å; I325-F367 HydrophobicContact CG1-CD2 3.71Å; I325-F367 HydrophobicContact CG1-CE2 4.02Å; I325-F367 HydrophobicContact CG1-CG 4.09Å; I325-F367 HydrophobicContact CG2-CD2 4.11Å; I325-F367 HydrophobicContact CG2-CE2 3.69Å; I325-F367 HydrophobicContact CG2-CZ 4.44Å; L329-F367 HydrophobicContact CD2-CE2 4.36Å; L329-F367 HydrophobicContact CD2-CZ 4.04Å; S361-F367 CarbonylContact O-C 3.42Å; S361-F367 WeakPolarHBondContact O-CA 3.46Å; A364-F367 PolarHBondContact O-N 2.84Å
368C98.4Very high94.5Very high39 Ų3952.5 Ų52.526%0.26431%0.313SS..EExtended strand (participates in β ladder)trans-129.2138.4179.1-65.30000110.7G360 S361 D366G360-C368 CarbonylContact C-O 3.56Å; G360-C368 WeakPolarHBondContact CA-O 3.38Å; S361-C368 PolarHBondContact N-O 2.84Å; S361-C368 PolarHBondContact O-N 3.41Å; D366-C368 PolarHBondContact O-N 2.86Å; D366-C368 PolarHBondContact O-SG 3.3Å; D366-C368 VanDerWaalsContact O-SG 3.34Å
369W98.4Very high94Very high36 Ų3654.6 Ų54.614%0.13634%0.335CS..EExtended strand (participates in β ladder)trans-73.4130.9163.8177.488.6000109.5P136 E239 R242 C243 H246 S358 G371P136-W369 HydrophobicContact CB-CH2 3.93Å; P136-W369 HydrophobicContact CB-CZ2 4.14Å; P136-W369 HydrophobicContact CB-CZ3 4.35Å; E239-W369 PolarHBondContact OE2-N 3.38Å; R242-W369 HydrophobicContact CB-CB 4.06Å; R242-W369 HydrophobicContact CB-CD2 4.44Å; R242-W369 HydrophobicContact CB-CG 4.14Å; R242-W369 VanDerWaalsContact NH2-CE3 3.3Å; C243-W369 VanDerWaalsContact SG-CD1 3.54Å; H246-W369 HydrophobicContact CB-CZ2 4.27Å; H246-W369 AromaticContact CG-CZ2 3.9Å; S358-W369 VanDerWaalsContact CB-CD1 3.49Å; S358-W369 PolarHBondContact OG-NE1 2.84Å; W369-G371 VanDerWaalsContact CZ2-C 3.45Å; W369-G371 VanDerWaalsContact CZ2-CA 3.48Å; W369-G371 PolarHBondContact NE1-O 2.81Å
370T97.8Very high93.7Very high76 Ų7652.9 Ų52.947%0.46632%0.323SS..EExtended strand (participates in β ladder)trans-121-9.2-173.256.40000114.5V359 S361V359-T370 VanDerWaalsContact C-OG1 3.29Å; V359-T370 WeakPolarHBondContact CG1-OG1 3.33Å; V359-T370 PolarHBondContact O-N 2.78Å; V359-T370 PolarHBondContact O-OG1 3.24Å; V359-T370 VanDerWaalsContact O-OG1 3.12Å; S361-T370 VanDerWaalsContact OG-CG2 3.24Å; S361-T370 WeakPolarHBondContact OG-CG2 3.46Å
371G97.6Very high93.6Very high15 Ų1558.6 Ų58.616%0.15534%0.34CS..EExtended strand (participates in β ladder)trans159.2-175.3173.400000115S358 V359 W369S358-G371 CarbonylContact C-O 3.49Å; S358-G371 VanDerWaalsContact CA-O 3.32Å; S358-G371 WeakPolarHBondContact CA-O 3.36Å; V359-G371 PolarHBondContact N-O 2.86Å; V359-G371 PolarHBondContact O-N 2.8Å; W369-G371 VanDerWaalsContact CZ2-C 3.45Å; W369-G371 VanDerWaalsContact CZ2-CA 3.48Å; W369-G371 PolarHBondContact NE1-O 2.81Å
372D97.6Very high93.5Very high62 Ų6259.2 Ų59.233%0.33233%0.334SS..EExtended strand (participates in β ladder)trans-68.1143.7170.5177.659.3000111H246 R250H246-D372 IonicContact CE1-OD1 3.42Å; H246-D372 WeakPolarHBondContact NE2-CA 3.18Å; H246-D372 WeakPolarHBondContact NE2-CB 3.35Å; H246-D372 IonicContact NE2-OD1 2.68Å; H246-D372 PolarHBondContact NE2-OD1 3.29Å; R250-D372 VanDerWaalsContact CD-OD1 3.28Å; R250-D372 WeakPolarHBondContact CD-OD1 3.37Å; R250-D372 IonicContact CZ-OD1 2.97Å; R250-D372 IonicContact CZ-OD2 3.05Å; R250-D372 IonicContact NE-OD1 3.48Å; R250-D372 PolarHBondContact NE-OD1 2.81Å; R250-D372 IonicContact NH1-OD1 2.71Å; R250-D372 PolarHBondContact NH1-OD1 2.92Å; R250-D372 IonicContact NH1-OD2 2.75Å; R250-D372 PolarHBondContact NH1-OD2 3.14Å; R250-D372 IonicContact NH2-OD1 3.19Å; R250-D372 IonicContact NH2-OD2 3.55Å
373F96.4Very high93.5Very high55 Ų5558.7 Ų58.724%0.24132%0.321CS..  trans-121.7127.5165.3-172.8-96.3000109.7Q356 Y357 V359 H375Q356-F373 HydrophobicContact CB-CD1 3.79Å; Q356-F373 HydrophobicContact CB-CE1 4.21Å; Q356-F373 HydrophobicContact CG-CB 4.13Å; Q356-F373 HydrophobicContact CG-CD1 3.72Å; Q356-F373 HydrophobicContact CG-CE1 4.37Å; Q356-F373 HydrophobicContact CG-CG 4.06Å; Y357-F373 PolarHBondContact O-N 2.86Å; V359-F373 HydrophobicContact CG2-CB 3.76Å; V359-F373 HydrophobicContact CG2-CD2 3.78Å; V359-F373 HydrophobicContact CG2-CG 4.24Å; F373-H375 AromaticContact CE1-CD2 3.5Å; F373-H375 VanDerWaalsContact CE1-CD2 3.5Å; F373-H375 WeakPolarHBondContact CE1-CD2 3.21Å; F373-H375 AromaticContact CE1-CG 3.97Å; F373-H375 AromaticContact CE1-NE2 3.59Å
374N93.3Very high93.4Very high34 Ų3460.4 Ų60.418%0.18233%0.331CS..  trans-123.1109.8180-177.30000110.7S376 D377 S378N374-S376 PolarHBondContact O-N 2.95Å; N374-S376 VanDerWaalsContact O-N 3.16Å; N374-S376 VanDerWaalsContact OD1-CB 3.3Å; N374-S376 WeakPolarHBondContact OD1-CB 3.31Å; N374-S376 PolarHBondContact OD1-N 2.91Å; N374-S376 PolarHBondContact OD1-OG 2.75Å; N374-D377 HydrophobicContact CB-CB 4.4Å; N374-D377 VanDerWaalsContact CB-OD2 3.29Å; N374-D377 WeakPolarHBondContact CB-OD2 3.46Å; N374-D377 PolarHBondContact ND2-OD1 3.1Å; N374-D377 PolarHBondContact ND2-OD2 3.09Å; N374-D377 WeakPolarHBondContact O-CB 3.27Å; N374-D377 PolarHBondContact O-N 3.16Å; N374-S378 PolarHBondContact O-N 3.12Å
375H91Very high93.5Very high6 Ų660.1 Ų60.13%0.02832%0.324CS..THydrogen-bonded Turntrans-57.1-28.9177-83.4125000114.4Q356 F373 D377 S378 M380 W388 Y390Q356-H375 PolarHBondContact N-CE1 2.89Å; Q356-H375 VanDerWaalsContact N-CE1 3.26Å; F373-H375 AromaticContact CE1-CD2 3.5Å; F373-H375 VanDerWaalsContact CE1-CD2 3.5Å; F373-H375 WeakPolarHBondContact CE1-CD2 3.21Å; F373-H375 AromaticContact CE1-CG 3.97Å; F373-H375 AromaticContact CE1-NE2 3.59Å; H375-D377 PolarHBondContact O-N 3.31Å; H375-S378 PolarHBondContact O-N 2.87Å; H375-S378 PolarHBondContact O-OG 3.41Å; H375-M380 HydrophobicContact CB-CB 4.01Å; H375-M380 HydrophobicContact CB-CG 4.31Å; H375-M380 WeakPolarHBondContact O-CB 3.34Å; H375-M380 PolarHBondContact O-N 3Å; H375-W388 HydrophobicContact CB-CD2 3.92Å; H375-W388 HydrophobicContact CB-CE3 3.83Å; H375-W388 HydrophobicContact CB-CH2 3.44Å; H375-W388 VanDerWaalsContact CB-CH2 3.44Å; H375-W388 HydrophobicContact CB-CZ2 3.54Å; H375-W388 HydrophobicContact CB-CZ3 3.6Å; H375-W388 AromaticContact ND1-CD1 3.97Å; H375-W388 AromaticContact ND1-CD2 3.96Å; H375-W388 AromaticContact ND1-CE2 3.81Å; H375-W388 AromaticContact ND1-NE1 3.83Å; H375-Y390 AromaticContact CE1-CE1 3.68Å; H375-Y390 AromaticContact CE1-CZ 3.95Å; H375-Y390 PolarHBondContact CE1-OH 2.84Å; H375-Y390 VanDerWaalsContact CE1-OH 3.25Å; H375-Y390 AromaticContact NE2-CE1 3.45Å; H375-Y390 WeakPolarHBondContact NE2-CE1 3.49Å
376S86.1Confident93.6Very high76 Ų7658 Ų5853%0.53132%0.318SS..THydrogen-bonded Turntrans-63.7-32.9178.1-500000111.3N374 G379N374-S376 PolarHBondContact O-N 2.95Å; N374-S376 VanDerWaalsContact O-N 3.16Å; N374-S376 VanDerWaalsContact OD1-CB 3.3Å; N374-S376 WeakPolarHBondContact OD1-CB 3.31Å; N374-S376 PolarHBondContact OD1-N 2.91Å; N374-S376 PolarHBondContact OD1-OG 2.75Å; S376-G379 PolarHBondContact O-N 3.41Å
377D89.3Confident93.7Very high130 Ų13053.6 Ų53.670%0.69529%0.293SS*.THydrogen-bonded Turntrans-81.3-23.6-176.8-56.8-20.3000111.5N374 H375 G379N374-D377 HydrophobicContact CB-CB 4.4Å; N374-D377 VanDerWaalsContact CB-OD2 3.29Å; N374-D377 WeakPolarHBondContact CB-OD2 3.46Å; N374-D377 PolarHBondContact ND2-OD1 3.1Å; N374-D377 PolarHBondContact ND2-OD2 3.09Å; N374-D377 WeakPolarHBondContact O-CB 3.27Å; N374-D377 PolarHBondContact O-N 3.16Å; H375-D377 PolarHBondContact O-N 3.31Å; D377-G379 VanDerWaalsContact C-N 3.28Å; D377-G379 PolarHBondContact O-N 2.92Å
378S85Confident93.6Very high72 Ų7254.1 Ų54.150%0.50330%0.295SS..THydrogen-bonded Turntrans-83-1.8174.271.10000114N374 H375 M380N374-S378 PolarHBondContact O-N 3.12Å; H375-S378 PolarHBondContact O-N 2.87Å; H375-S378 PolarHBondContact O-OG 3.41Å; S378-M380 PolarHBondContact O-N 2.94Å
379G86.3Confident93.4Very high43 Ų4353.6 Ų53.644%0.44329%0.29SS..THydrogen-bonded Turntrans79.5-0-176.400000114.5S376 D377 K381S376-G379 PolarHBondContact O-N 3.41Å; D377-G379 VanDerWaalsContact C-N 3.28Å; D377-G379 PolarHBondContact O-N 2.92Å; G379-K381 WeakPolarHBondContact O-CE 3.29Å; G379-K381 PolarHBondContact O-N 2.84Å
380M92.1Very high93.3Very high19 Ų1952.2 Ų52.29%0.09429%0.285CS..  trans-54.8137.1175.3-176.867.472.100110.4P299 H375 S378 W388 N389 Y390P299-M380 HydrophobicContact CB-CE 4.19Å; P299-M380 HydrophobicContact CB-SD 3.78Å; H375-M380 HydrophobicContact CB-CB 4.01Å; H375-M380 HydrophobicContact CB-CG 4.31Å; H375-M380 WeakPolarHBondContact O-CB 3.34Å; H375-M380 PolarHBondContact O-N 3Å; S378-M380 PolarHBondContact O-N 2.94Å; M380-W388 HydrophobicContact CB-CE3 4.28Å; M380-W388 HydrophobicContact CB-CZ3 4.37Å; M380-W388 HydrophobicContact CG-CD2 4.41Å; M380-W388 HydrophobicContact CG-CE3 3.64Å; M380-W388 HydrophobicContact CG-CZ3 4.22Å; M380-W388 WeakPolarHBondContact O-CZ3 3.13Å; M380-N389 HydrophobicContact SD-CB 4.15Å; M380-Y390 HydrophobicContact CE-CD1 3.79Å; M380-Y390 HydrophobicContact CE-CE1 4.28Å; M380-Y390 HydrophobicContact SD-CD1 4.21Å
381K92.9Very high93.3Very high146 Ų14648.6 Ų48.664%0.63526%0.263SS*.  trans-108.8159.7179.3-57.9-56.5177.5-1670111G379 N389G379-K381 WeakPolarHBondContact O-CE 3.29Å; G379-K381 PolarHBondContact O-N 2.84Å; K381-N389 WeakPolarHBondContact O-CB 3.48Å; K381-N389 PolarHBondContact O-N 2.81Å
382R93.8Very high93.4Very high74 Ų7447.9 Ų47.928%0.27926%0.255SS..BIsolated β-bridgetrans-95.8147.7170.4-66.9-179.3-179.3-94.47.5110.3E355 G386 R387 W388E355-R382 IonicContact OE2-NH2 3.92Å; E355-R382 PolarHBondContact OE2-NH2 2.81Å; E355-R382 VanDerWaalsContact OE2-NH2 3.17Å; R382-G386 WeakPolarHBondContact CD-O 3.46Å; R382-G386 PolarHBondContact NH1-O 3.12Å; R382-R387 CarbonylContact C-O 3.42Å; R382-R387 WeakPolarHBondContact CA-O 3.41Å; R382-W388 HydrophobicContact CG-CD2 3.96Å; R382-W388 HydrophobicContact CG-CE3 3.59Å; R382-W388 HydrophobicContact CG-CH2 4.42Å; R382-W388 HydrophobicContact CG-CZ3 3.84Å; R382-W388 VanDerWaalsContact CZ-CZ2 3.48Å
383D94Very high93.4Very high30 Ų3045 Ų4516%0.1624%0.239CC..  trans-78.1-178.2173.577.55.2000112.1L26 W385 G386 R387L26-D383 HydrophobicContact CD1-CB 3.59Å; L26-D383 VanDerWaalsContact CD1-CG 3.49Å; L26-D383 WeakPolarHBondContact CD1-OD2 3.35Å; D383-W385 PolarHBondContact O-N 2.74Å; D383-W385 VanDerWaalsContact O-N 3.12Å; D383-W385 WeakPolarHBondContact OD1-CA 3.49Å; D383-W385 WeakPolarHBondContact OD1-CB 3.39Å; D383-W385 PolarHBondContact OD1-N 2.9Å; D383-G386 PolarHBondContact O-N 3.39Å; D383-G386 PolarHBondContact OD1-N 2.91Å; D383-G386 VanDerWaalsContact OD1-N 3.14Å; D383-R387 PolarHBondContact N-O 3.36Å; D383-R387 WeakPolarHBondContact OD1-CB 3.43Å; D383-R387 PolarHBondContact OD1-N 3.29Å; D383-R387 IonicContact OD1-NE 2.84Å; D383-R387 IonicContact OD2-CZ 3.1Å; D383-R387 IonicContact OD2-NE 2.68Å; D383-R387 PolarHBondContact OD2-NE 2.77Å; D383-R387 IonicContact OD2-NH2 3.03Å; D383-R387 PolarHBondContact OD2-NH2 3.37Å
384K92.7Very high93.6Very high167 Ų16742.3 Ų42.373%0.72623%0.228SC*.THydrogen-bonded Turntrans-63.3-15.9-179.4-67.3-176.7-177.81740114.3
385W95.1Very high93.8Very high22 Ų2240.7 Ų40.78%0.08322%0.219CC..THydrogen-bonded Turntrans-98.93.7178.4-60.2-0.9000111.6P27 L29 H35 S259 D383 R387 R431P27-W385 HydrophobicContact CG-CZ2 4.25Å; P27-W385 PolarHBondContact O-NE1 3.23Å; L29-W385 HydrophobicContact CB-CD2 4.14Å; L29-W385 HydrophobicContact CB-CG 4.01Å; L29-W385 HydrophobicContact CD1-CD2 3.85Å; L29-W385 HydrophobicContact CD1-CE3 3.88Å; L29-W385 HydrophobicContact CD1-CG 4.38Å; L29-W385 HydrophobicContact CD1-CH2 4.2Å; L29-W385 HydrophobicContact CD1-CZ2 4.19Å; L29-W385 HydrophobicContact CD1-CZ3 4.08Å; L29-W385 HydrophobicContact CD2-CG 4.5Å; L29-W385 HydrophobicContact CG-CD2 4.46Å; H35-W385 AromaticContact CE1-CH2 3.78Å; H35-W385 AromaticContact CE1-CZ3 3.75Å; S259-W385 PolarHBondContact OG-O 3.2Å; D383-W385 PolarHBondContact O-N 2.74Å; D383-W385 VanDerWaalsContact O-N 3.12Å; D383-W385 WeakPolarHBondContact OD1-CA 3.49Å; D383-W385 WeakPolarHBondContact OD1-CB 3.39Å; D383-W385 PolarHBondContact OD1-N 2.9Å; W385-R387 VanDerWaalsContact C-N 3.34Å; W385-R387 HydrophobicContact CB-CG 4.13Å; W385-R431 VanDerWaalsContact CH2-CD 3.46Å
386G95.7Very high94.2Very high18 Ų1841 Ų4119%0.18622%0.221CC..SBendtrans78.816.5-177.800000113.6G258 S259 R382 D383G258-G386 WeakPolarHBondContact CA-O 3.17Å; S259-G386 PolarHBondContact N-O 3.05Å; R382-G386 WeakPolarHBondContact CD-O 3.46Å; R382-G386 PolarHBondContact NH1-O 3.12Å; D383-G386 PolarHBondContact O-N 3.39Å; D383-G386 PolarHBondContact OD1-N 2.91Å; D383-G386 VanDerWaalsContact OD1-N 3.14Å
387R96.4Very high94.7Very high5 Ų537.6 Ų37.62%0.01920%0.198CC..  trans-90.1140.8179.5-58.5-178.2-60169.19.5109.6S259 T261 E352 R382 D383 W385S259-R387 WeakPolarHBondContact O-CG 3.49Å; S259-R387 VanDerWaalsContact OG-CG 3.31Å; S259-R387 WeakPolarHBondContact OG-CG 3.39Å; T261-R387 WeakPolarHBondContact OG1-CD 3.13Å; T261-R387 PolarHBondContact OG1-NH1 2.97Å; E352-R387 VanDerWaalsContact CB-NH1 3.32Å; E352-R387 IonicContact OE1-CZ 2.81Å; E352-R387 VanDerWaalsContact OE1-CZ 3.32Å; E352-R387 IonicContact OE1-NH1 3.98Å; E352-R387 PolarHBondContact OE1-NH1 3.12Å; E352-R387 IonicContact OE1-NH2 3.63Å; E352-R387 PolarHBondContact OE1-NH2 3.15Å; E352-R387 IonicContact OE2-NH1 3.13Å; E352-R387 PolarHBondContact OE2-NH1 3.27Å; R382-R387 CarbonylContact C-O 3.42Å; R382-R387 WeakPolarHBondContact CA-O 3.41Å; D383-R387 PolarHBondContact N-O 3.36Å; D383-R387 WeakPolarHBondContact OD1-CB 3.43Å; D383-R387 PolarHBondContact OD1-N 3.29Å; D383-R387 IonicContact OD1-NE 2.84Å; D383-R387 IonicContact OD2-CZ 3.1Å; D383-R387 IonicContact OD2-NE 2.68Å; D383-R387 PolarHBondContact OD2-NE 2.77Å; D383-R387 IonicContact OD2-NH2 3.03Å; D383-R387 PolarHBondContact OD2-NH2 3.37Å; W385-R387 VanDerWaalsContact C-N 3.34Å; W385-R387 HydrophobicContact CB-CG 4.13Å
388W96.2Very high95.1Very high12 Ų1232.7 Ų32.75%0.04517%0.172CC..BIsolated β-bridgetrans-58.9141170.1-67.5114.4000110.8G353 E355 H375 M380 R382 Y390G353-W388 WeakPolarHBondContact CA-O 3.35Å; E355-W388 PolarHBondContact OE2-NE1 2.69Å; H375-W388 HydrophobicContact CB-CD2 3.92Å; H375-W388 HydrophobicContact CB-CE3 3.83Å; H375-W388 HydrophobicContact CB-CH2 3.44Å; H375-W388 VanDerWaalsContact CB-CH2 3.44Å; H375-W388 HydrophobicContact CB-CZ2 3.54Å; H375-W388 HydrophobicContact CB-CZ3 3.6Å; H375-W388 AromaticContact ND1-CD1 3.97Å; H375-W388 AromaticContact ND1-CD2 3.96Å; H375-W388 AromaticContact ND1-CE2 3.81Å; H375-W388 AromaticContact ND1-NE1 3.83Å; M380-W388 HydrophobicContact CB-CE3 4.28Å; M380-W388 HydrophobicContact CB-CZ3 4.37Å; M380-W388 HydrophobicContact CG-CD2 4.41Å; M380-W388 HydrophobicContact CG-CE3 3.64Å; M380-W388 HydrophobicContact CG-CZ3 4.22Å; M380-W388 WeakPolarHBondContact O-CZ3 3.13Å; R382-W388 HydrophobicContact CG-CD2 3.96Å; R382-W388 HydrophobicContact CG-CE3 3.59Å; R382-W388 HydrophobicContact CG-CH2 4.42Å; R382-W388 HydrophobicContact CG-CZ3 3.84Å; R382-W388 VanDerWaalsContact CZ-CZ2 3.48Å; W388-Y390 HydrophobicContact CB-CD1 4.2Å; W388-Y390 HydrophobicContact CB-CE1 3.84Å; W388-Y390 PolarHBondContact O-N 2.81Å
389N94.8Very high95.6Very high27 Ų2736.2 Ų36.214%0.14418%0.179CC..SBendtrans-78.758.1-168.2-171.731.2000113.7P299 N300 M380 K381P299-N389 CarbonylContact C-O 3.2Å; P299-N389 VanDerWaalsContact CA-O 3.28Å; P299-N389 WeakPolarHBondContact CA-O 3.02Å; N300-N389 PolarHBondContact N-O 2.79Å; N300-N389 PolarHBondContact OD1-ND2 2.91Å; N300-N389 PolarHBondContact OD1-OD1 2.84Å; M380-N389 HydrophobicContact SD-CB 4.15Å; K381-N389 WeakPolarHBondContact O-CB 3.48Å; K381-N389 PolarHBondContact O-N 2.81Å
390Y95.8Very high96Very high8 Ų834.4 Ų34.43%0.03116%0.159CC..  trans-154.8168.1165.463.8-92.6000109.1T301 G353 A354 H375 M380 W388 V392T301-Y390 WeakPolarHBondContact O-CA 3.46Å; T301-Y390 WeakPolarHBondContact O-CB 3.13Å; G353-Y390 PolarHBondContact N-O 3.37Å; A354-Y390 VanDerWaalsContact O-CZ 3.26Å; A354-Y390 PolarHBondContact O-OH 3.26Å; H375-Y390 AromaticContact CE1-CE1 3.68Å; H375-Y390 AromaticContact CE1-CZ 3.95Å; H375-Y390 PolarHBondContact CE1-OH 2.84Å; H375-Y390 VanDerWaalsContact CE1-OH 3.25Å; H375-Y390 AromaticContact NE2-CE1 3.45Å; H375-Y390 WeakPolarHBondContact NE2-CE1 3.49Å; M380-Y390 HydrophobicContact CE-CD1 3.79Å; M380-Y390 HydrophobicContact CE-CE1 4.28Å; M380-Y390 HydrophobicContact SD-CD1 4.21Å; W388-Y390 HydrophobicContact CB-CD1 4.2Å; W388-Y390 HydrophobicContact CB-CE1 3.84Å; W388-Y390 PolarHBondContact O-N 2.81Å; Y390-V392 HydrophobicContact CE2-CG2 4.45Å
391A97.9Very high96.1Very high0 Ų038.2 Ų38.20%019%0.187CC..EExtended strand (participates in β ladder)trans-128.3152173.900000110.3T301 L302 Q303 I350 I351 E352 P434T301-A391 PolarHBondContact O-N 2.74Å; L302-A391 CarbonylContact C-O 3.53Å; L302-A391 WeakPolarHBondContact CA-O 3.14Å; L302-A391 HydrophobicContact CD1-CB 3.62Å; Q303-A391 PolarHBondContact N-O 2.65Å; I350-A391 HydrophobicContact CG2-CB 4.22Å; I351-A391 CarbonylContact O-C 3.58Å; I351-A391 WeakPolarHBondContact O-CA 3.28Å; E352-A391 HydrophobicContact CG-CB 3.74Å; A391-P434 HydrophobicContact CB-CG 3.99Å
392V98.8Very high96.1Very high0 Ų034.8 Ų34.80%018%0.176CC..EExtended strand (participates in β ladder)trans-102.8136.8165.2174.40000108.2Q303 D305 M326 L333 I350 I351 Y390Q303-V392 CarbonylContact O-C 3.45Å; Q303-V392 WeakPolarHBondContact O-CA 3.4Å; D305-V392 HydrophobicContact CB-CG1 3.67Å; M326-V392 HydrophobicContact SD-CG1 3.62Å; M326-V392 HydrophobicContact SD-CG2 4.06Å; L333-V392 HydrophobicContact CD2-CG2 4.36Å; I350-V392 CarbonylContact C-O 3.05Å; I350-V392 WeakPolarHBondContact CA-O 3.42Å; I351-V392 HydrophobicContact CB-CB 4.35Å; I351-V392 PolarHBondContact N-O 3.32Å; I351-V392 PolarHBondContact O-N 2.72Å; Y390-V392 HydrophobicContact CE2-CG2 4.45Å
393V98.8Very high96Very high0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-111.9112.8166.655.10000109.3L302 Q303 V304 D305 L349 I350 F423L302-V393 HydrophobicContact CD1-CB 3.88Å; L302-V393 HydrophobicContact CD1-CG1 4.06Å; L302-V393 HydrophobicContact CD2-CB 4.25Å; L302-V393 HydrophobicContact CD2-CG1 3.92Å; L302-V393 HydrophobicContact CG-CB 4.03Å; L302-V393 HydrophobicContact CG-CG1 3.65Å; Q303-V393 PolarHBondContact O-N 3.19Å; V304-V393 HydrophobicContact CB-CG1 4.23Å; V304-V393 HydrophobicContact CG2-CG1 3.74Å; D305-V393 PolarHBondContact N-O 3.14Å; L349-V393 WeakPolarHBondContact O-CA 3.33Å; I350-V393 HydrophobicContact CD1-CB 3.72Å; I350-V393 HydrophobicContact CD1-CG2 3.58Å; V393-F423 HydrophobicContact CG1-CE1 4.19Å
394A98.8Very high95.9Very high0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-86.6114.1171.600000109.5D305 A307 L311 T348 L349D305-A394 HydrophobicContact CB-CB 4.2Å; D305-A394 WeakPolarHBondContact OD2-CB 3.36Å; A307-A394 HydrophobicContact CB-CB 3.86Å; L311-A394 HydrophobicContact CD2-CB 3.46Å; L311-A394 VanDerWaalsContact CD2-CB 3.46Å; T348-A394 WeakPolarHBondContact CB-O 3.44Å; L349-A394 HydrophobicContact CB-CB 4.29Å; L349-A394 PolarHBondContact N-O 3.1Å; L349-A394 VanDerWaalsContact N-O 3.11Å; L349-A394 PolarHBondContact O-N 3.27Å
395M98.6Very high95.8Very high0 Ų029.2 Ų29.20%016%0.157CC..EExtended strand (participates in β ladder)trans-136.8123.4178.261.6176-165.900110.7V304 D305 A307 T348 K418 A419 F423 W442V304-M395 HydrophobicContact CB-CE 4.34Å; V304-M395 HydrophobicContact CG1-CE 3.31Å; V304-M395 HydrophobicContact CG1-CG 3.93Å; V304-M395 HydrophobicContact CG1-SD 4.25Å; V304-M395 HydrophobicContact CG2-CE 4.04Å; D305-M395 PolarHBondContact O-N 3.13Å; A307-M395 PolarHBondContact N-O 3.37Å; T348-M395 HydrophobicContact CG2-CB 3.76Å; M395-K418 HydrophobicContact CB-CD 3.98Å; M395-K418 HydrophobicContact CB-CG 4.02Å; M395-A419 HydrophobicContact SD-CB 4.37Å; M395-F423 HydrophobicContact CE-CE1 3.98Å; M395-F423 HydrophobicContact CE-CZ 3.63Å; M395-F423 HydrophobicContact SD-CE1 3.9Å; M395-F423 HydrophobicContact SD-CZ 3.96Å; M395-W442 HydrophobicContact CE-CD2 3.78Å; M395-W442 HydrophobicContact CE-CE3 4.2Å; M395-W442 HydrophobicContact CE-CG 3.96Å; M395-W442 HydrophobicContact CE-CZ2 4.41Å; M395-W442 HydrophobicContact CG-CZ2 4.23Å; M395-W442 PolarHBondContact O-NE1 3.19Å; M395-W442 HydrophobicContact SD-CZ2 4.33Å
396D98.3Very high95.8Very high12 Ų1228.4 Ų28.46%0.06416%0.155CC..EExtended strand (participates in β ladder)trans-87.5136.2-178.567.7-61000111.8A307 R414 K418 W442A307-D396 WeakPolarHBondContact O-CA 3.2Å; A307-D396 WeakPolarHBondContact O-CB 3.37Å; D396-R414 VanDerWaalsContact CG-NH2 3.31Å; D396-R414 VanDerWaalsContact O-CZ 3.25Å; D396-R414 PolarHBondContact O-NH1 2.74Å; D396-R414 PolarHBondContact O-NH2 2.86Å; D396-R414 IonicContact OD1-NH2 3.51Å; D396-R414 PolarHBondContact OD1-NH2 2.83Å; D396-R414 IonicContact OD2-NH2 2.64Å; D396-R414 PolarHBondContact OD2-NH2 3.03Å; D396-K418 IonicContact OD1-NZ 3.45Å; D396-K418 PolarHBondContact OD1-NZ 2.69Å; D396-W442 WeakPolarHBondContact O-CZ2 3.44Å
397A98Very high95.7Very high5 Ų528.1 Ų28.14%0.04115%0.148CC..PPolyproline II helixtrans-86.6156.4170.600000110.9E415 W442 F447A397-E415 WeakPolarHBondContact CB-OE2 3.08Å; A397-W442 HydrophobicContact CB-CD2 4.34Å; A397-W442 HydrophobicContact CB-CZ2 3.93Å; A397-F447 HydrophobicContact CB-CD1 4.08Å; A397-F447 VanDerWaalsContact O-CD1 3.23Å; A397-F447 WeakPolarHBondContact O-CD1 3.4Å; A397-F447 WeakPolarHBondContact O-CE1 3.36Å
398T97.3Very high95.6Very high27 Ų2730.2 Ų30.217%0.16616%0.16CC..PPolyproline II helixtrans-66.4136.6165.1-61.50000110.6Y400 E411 R414 E415T398-Y400 WeakPolarHBondContact CB-OH 3.48Å; T398-Y400 HydrophobicContact CG2-CD1 3.97Å; T398-Y400 HydrophobicContact CG2-CE1 3.44Å; T398-Y400 VanDerWaalsContact CG2-CE1 3.44Å; T398-Y400 HydrophobicContact CG2-CE2 4.18Å; T398-Y400 WeakPolarHBondContact O-CE2 2.96Å; T398-E411 WeakPolarHBondContact CG2-OE2 3.45Å; T398-E411 PolarHBondContact OG1-OE2 2.96Å; T398-R414 WeakPolarHBondContact OG1-CD 2.86Å; T398-R414 PolarHBondContact OG1-NE 3.42Å; T398-E415 PolarHBondContact N-OE1 3.32Å; T398-E415 PolarHBondContact OG1-OE1 3.15Å
399K95.4Very high95.6Very high146 Ų14632.2 Ų32.264%0.63517%0.173SC*.PPolyproline II helixtrans-94.7122.1172.2177.2174.5-176.7-179.10109.9F447K399-F447 HydrophobicContact CB-CB 4.43Å; K399-F447 HydrophobicContact CB-CD1 3.67Å; K399-F447 HydrophobicContact CB-CE1 4.04Å; K399-F447 HydrophobicContact CB-CG 3.99Å; K399-F447 HydrophobicContact CG-CG 4.39Å
400Y94.5Very high95.7Very high5 Ų538.6 Ų38.62%0.0220%0.202CC..PPolyproline II helixtrans-99.7124.9-176.8-60.1-72.9000112.8T398 E405 Q406 E411 F447 R448T398-Y400 WeakPolarHBondContact CB-OH 3.48Å; T398-Y400 HydrophobicContact CG2-CD1 3.97Å; T398-Y400 HydrophobicContact CG2-CE1 3.44Å; T398-Y400 VanDerWaalsContact CG2-CE1 3.44Å; T398-Y400 HydrophobicContact CG2-CE2 4.18Å; T398-Y400 WeakPolarHBondContact O-CE2 2.96Å; Y400-E405 HydrophobicContact CD1-CB 3.93Å; Y400-E405 HydrophobicContact CE1-CB 4.32Å; Y400-Q406 HydrophobicContact CD1-CB 4.23Å; Y400-Q406 HydrophobicContact CD2-CB 3.77Å; Y400-Q406 HydrophobicContact CE1-CB 3.86Å; Y400-Q406 HydrophobicContact CE2-CB 3.34Å; Y400-Q406 HydrophobicContact CG-CB 4.2Å; Y400-E411 HydrophobicContact CE1-CB 4.36Å; Y400-E411 HydrophobicContact CE1-CG 3.97Å; Y400-E411 VanDerWaalsContact CE1-OE2 3.26Å; Y400-E411 WeakPolarHBondContact CE1-OE2 3.48Å; Y400-E411 PolarHBondContact OH-OE2 2.79Å; Y400-F447 PolarHBondContact N-O 3.3Å; Y400-F447 VanDerWaalsContact N-O 3.15Å; Y400-R448 PolarHBondContact O-NH1 3.5Å
401S94.4Very high95.7Very high99 Ų9940.7 Ų40.769%0.69221%0.212SC*.SBendtrans-74.3-36.516656.30000110.6R448S401-R448 PolarHBondContact O-NH1 2.59Å
402N92.7Very high95.6Very high74 Ų7440.7 Ų40.740%0.39621%0.212SC..SBendtrans-115.4108.3167.7176.512.3000109.3M404 E405N402-M404 PolarHBondContact O-N 3.18Å; N402-M404 PolarHBondContact OD1-N 3.09Å; N402-M404 VanDerWaalsContact OD1-N 3.16Å; N402-E405 HydrophobicContact CB-CG 4.06Å; N402-E405 WeakPolarHBondContact O-CB 3.49Å; N402-E405 PolarHBondContact O-N 2.86Å
403P91.7Very high95.6Very high28 Ų2843.7 Ų43.718%0.18223%0.228CC..G310 helixtrans-57-20.2-179-26.736.1000114.4E405 Q406 R448P403-E405 VanDerWaalsContact C-N 3.25Å; P403-E405 PolarHBondContact O-N 2.63Å; P403-Q406 WeakPolarHBondContact O-CG 3.31Å; P403-Q406 PolarHBondContact O-N 2.9Å; P403-Q406 PolarHBondContact O-NE2 3.45Å; P403-R448 VanDerWaalsContact CD-NH2 3.3Å; P403-R448 HydrophobicContact CG-CB 4.16Å; P403-R448 VanDerWaalsContact CG-CZ 3.43Å; P403-R448 VanDerWaalsContact CG-NH2 3.28Å
404M91.1Very high95.6Very high47 Ų4744.9 Ų44.923%0.23223%0.232CC..G310 helixtrans-68.5-24.8177.3-61.8-57144.600113.1N402 Q406 Y407 M513 N515N402-M404 PolarHBondContact O-N 3.18Å; N402-M404 PolarHBondContact OD1-N 3.09Å; N402-M404 VanDerWaalsContact OD1-N 3.16Å; M404-Q406 PolarHBondContact O-N 2.83Å; M404-Y407 WeakPolarHBondContact O-CD2 3.47Å; M404-Y407 PolarHBondContact O-N 2.83Å; M404-Y407 HydrophobicContact SD-CD2 4.19Å; M404-Y407 HydrophobicContact SD-CE2 3.87Å; M404-M513 HydrophobicContact CB-CG 4.43Å; M404-M513 HydrophobicContact CB-SD 4.07Å; M404-N515 WeakPolarHBondContact CE-OD1 3.29Å
405E92.4Very high95.5Very high79 Ų7944.9 Ų44.937%0.36923%0.232SC..G310 helixtrans-61.2-26.7179.3-68.6169.917900112.3Y400 N402 P403 Y407 N408 E411Y400-E405 HydrophobicContact CD1-CB 3.93Å; Y400-E405 HydrophobicContact CE1-CB 4.32Å; N402-E405 HydrophobicContact CB-CG 4.06Å; N402-E405 WeakPolarHBondContact O-CB 3.49Å; N402-E405 PolarHBondContact O-N 2.86Å; P403-E405 VanDerWaalsContact C-N 3.25Å; P403-E405 PolarHBondContact O-N 2.63Å; E405-Y407 PolarHBondContact O-N 2.85Å; E405-Y407 VanDerWaalsContact O-N 3.14Å; E405-N408 VanDerWaalsContact O-CB 3.26Å; E405-N408 WeakPolarHBondContact O-CB 3.48Å; E405-N408 VanDerWaalsContact O-CG 3.22Å; E405-N408 PolarHBondContact O-N 3.39Å; E405-N408 PolarHBondContact O-ND2 2.71Å; E405-E411 WeakPolarHBondContact O-CG 3.42Å
406Q93.9Very high95.5Very high5 Ų544.9 Ų44.92%0.02323%0.232CC..G310 helixtrans-64.5-19.1-178.582.6-172.2-67.600114.1Y400 P403 M404 N408 M412 G449 L453Y400-Q406 HydrophobicContact CD1-CB 4.23Å; Y400-Q406 HydrophobicContact CD2-CB 3.77Å; Y400-Q406 HydrophobicContact CE1-CB 3.86Å; Y400-Q406 HydrophobicContact CE2-CB 3.34Å; Y400-Q406 HydrophobicContact CG-CB 4.2Å; P403-Q406 WeakPolarHBondContact O-CG 3.31Å; P403-Q406 PolarHBondContact O-N 2.9Å; P403-Q406 PolarHBondContact O-NE2 3.45Å; M404-Q406 PolarHBondContact O-N 2.83Å; Q406-N408 VanDerWaalsContact C-N 3.32Å; Q406-M412 VanDerWaalsContact O-CG 3.27Å; Q406-M412 WeakPolarHBondContact O-CG 3.05Å; Q406-G449 VanDerWaalsContact OE1-CA 3.28Å; Q406-L453 HydrophobicContact CG-CD2 3.93Å
407Y94.7Very high95.6Very high11 Ų1145.6 Ų45.64%0.04324%0.236CC..G310 helixtrans-84-10178.3-57.2-61.6000112.5M404 E405 M412 D450 L453 A508 L512 M513 V518M404-Y407 WeakPolarHBondContact O-CD2 3.47Å; M404-Y407 PolarHBondContact O-N 2.83Å; M404-Y407 HydrophobicContact SD-CD2 4.19Å; M404-Y407 HydrophobicContact SD-CE2 3.87Å; E405-Y407 PolarHBondContact O-N 2.85Å; E405-Y407 VanDerWaalsContact O-N 3.14Å; Y407-M412 VanDerWaalsContact O-CE 3.31Å; Y407-M412 WeakPolarHBondContact O-CE 3.23Å; Y407-D450 HydrophobicContact CE1-CB 4.45Å; Y407-D450 PolarHBondContact OH-OD2 3.29Å; Y407-L453 HydrophobicContact CD1-CD2 3.81Å; Y407-L453 HydrophobicContact CE1-CD2 3.92Å; Y407-A508 CarbonylContact C-O 3.54Å; Y407-A508 WeakPolarHBondContact CB-O 3.47Å; Y407-A508 CarbonylContact O-C 3.53Å; Y407-A508 VanDerWaalsContact O-CA 3.22Å; Y407-A508 WeakPolarHBondContact O-CA 3.43Å; Y407-A508 WeakPolarHBondContact O-CB 3.45Å; Y407-A508 VanDerWaalsContact O-O 3.07Å; Y407-L512 HydrophobicContact CD1-CB 3.66Å; Y407-L512 HydrophobicContact CD1-CD1 4.17Å; Y407-L512 HydrophobicContact CD1-CD2 4.34Å; Y407-L512 HydrophobicContact CD1-CG 4.28Å; Y407-L512 HydrophobicContact CD2-CB 4.41Å; Y407-L512 HydrophobicContact CE1-CB 4.22Å; Y407-L512 HydrophobicContact CE1-CD2 4.42Å; Y407-L512 WeakPolarHBondContact CE2-O 3.33Å; Y407-L512 HydrophobicContact CG-CB 3.77Å; Y407-M513 HydrophobicContact CD2-CG 4.21Å; Y407-V518 HydrophobicContact CE1-CG2 4.21Å
408N94.2Very high95.6Very high50 Ų5045.3 Ų45.327%0.26723%0.234SC..SBendtrans-59.3141.4172.1-64.4-20.5000109.8E405 Q406 E410 E411 M412E405-N408 VanDerWaalsContact O-CB 3.26Å; E405-N408 WeakPolarHBondContact O-CB 3.48Å; E405-N408 VanDerWaalsContact O-CG 3.22Å; E405-N408 PolarHBondContact O-N 3.39Å; E405-N408 PolarHBondContact O-ND2 2.71Å; Q406-N408 VanDerWaalsContact C-N 3.32Å; N408-E410 PolarHBondContact O-N 2.75Å; N408-E411 HydrophobicContact CB-CB 4.35Å; N408-E411 HydrophobicContact CB-CG 4.24Å; N408-E411 PolarHBondContact O-N 2.75Å; N408-M412 PolarHBondContact O-N 3.32Å
409V95.8Very high95.6Very high53 Ų5344 Ų4432%0.32123%0.226SC..Hα-helixtrans-56-40.8-177.3176.60000111.8E411 L413 W501 I505 A508V409-E411 VanDerWaalsContact C-N 3.34Å; V409-E411 PolarHBondContact O-N 3.15Å; V409-L413 WeakPolarHBondContact O-CB 3.5Å; V409-L413 PolarHBondContact O-N 3.2Å; V409-W501 HydrophobicContact CG1-CZ2 4.21Å; V409-I505 HydrophobicContact CB-CG2 4.47Å; V409-I505 HydrophobicContact CG1-CB 4.38Å; V409-I505 HydrophobicContact CG1-CG2 3.78Å; V409-I505 HydrophobicContact CG2-CB 3.93Å; V409-I505 HydrophobicContact CG2-CG2 4.05Å; V409-A508 HydrophobicContact CG2-CB 3.59Å
410E95.7Very high95.8Very high161 Ų16137.1 Ų37.175%0.75220%0.196SC*.Hα-helixtrans-63.6-39.8179.5-62.4-178.2175.600112.3N408 L413 R414N408-E410 PolarHBondContact O-N 2.75Å; E410-L413 PolarHBondContact O-N 3.23Å; E410-R414 WeakPolarHBondContact O-CB 3.16Å; E410-R414 PolarHBondContact O-N 3.37Å
411E96.1Very high96Very high52 Ų5236.9 Ų36.924%0.24320%0.195CC..Hα-helixtrans-70.5-46.7178.9-72-59.4141.600111.3T398 Y400 E405 N408 V409 L413 R414 E415T398-E411 WeakPolarHBondContact CG2-OE2 3.45Å; T398-E411 PolarHBondContact OG1-OE2 2.96Å; Y400-E411 HydrophobicContact CE1-CB 4.36Å; Y400-E411 HydrophobicContact CE1-CG 3.97Å; Y400-E411 VanDerWaalsContact CE1-OE2 3.26Å; Y400-E411 WeakPolarHBondContact CE1-OE2 3.48Å; Y400-E411 PolarHBondContact OH-OE2 2.79Å; E405-E411 WeakPolarHBondContact O-CG 3.42Å; N408-E411 HydrophobicContact CB-CB 4.35Å; N408-E411 HydrophobicContact CB-CG 4.24Å; N408-E411 PolarHBondContact O-N 2.75Å; V409-E411 VanDerWaalsContact C-N 3.34Å; V409-E411 PolarHBondContact O-N 3.15Å; E411-L413 VanDerWaalsContact C-N 3.3Å; E411-L413 PolarHBondContact O-N 3.14Å; E411-R414 PolarHBondContact O-N 3.1Å; E411-E415 VanDerWaalsContact O-CG 3.3Å; E411-E415 WeakPolarHBondContact O-CG 3.38Å; E411-E415 PolarHBondContact O-N 2.69Å
412M97.3Very high96.2Very high1 Ų132.2 Ų32.21%0.00516%0.162CC..Hα-helixtrans-59.9-41.7174.1-65.4-167.8-66.400111.7Q406 Y407 N408 E415 L416 L453 L457 W501 L504 I505 A508 L512Q406-M412 VanDerWaalsContact O-CG 3.27Å; Q406-M412 WeakPolarHBondContact O-CG 3.05Å; Y407-M412 VanDerWaalsContact O-CE 3.31Å; Y407-M412 WeakPolarHBondContact O-CE 3.23Å; N408-M412 PolarHBondContact O-N 3.32Å; M412-E415 PolarHBondContact O-N 3.05Å; M412-L416 VanDerWaalsContact O-CB 3.25Å; M412-L416 WeakPolarHBondContact O-CB 3.44Å; M412-L416 PolarHBondContact O-N 2.95Å; M412-L453 HydrophobicContact CG-CD1 4.28Å; M412-L453 HydrophobicContact CG-CD2 4.18Å; M412-L453 HydrophobicContact SD-CD1 3.79Å; M412-L453 HydrophobicContact SD-CD2 4.43Å; M412-L457 HydrophobicContact CB-CD1 4.48Å; M412-W501 HydrophobicContact CB-CH2 3.81Å; M412-W501 HydrophobicContact CB-CZ3 3.82Å; M412-L504 HydrophobicContact CE-CB 4.14Å; M412-L504 HydrophobicContact SD-CB 4.12Å; M412-I505 HydrophobicContact CE-CG2 4.43Å; M412-A508 HydrophobicContact CE-CB 3.79Å; M412-L512 HydrophobicContact SD-CD1 4.32Å
413L97.9Very high96.5Very high63 Ų6328.7 Ų28.733%0.3314%0.143SC..Hα-helixtrans-65.4-42.1178.9179.862000111.5V409 E410 E411 E415 L416 N417 W501V409-L413 WeakPolarHBondContact O-CB 3.5Å; V409-L413 PolarHBondContact O-N 3.2Å; E410-L413 PolarHBondContact O-N 3.23Å; E411-L413 VanDerWaalsContact C-N 3.3Å; E411-L413 PolarHBondContact O-N 3.14Å; L413-E415 VanDerWaalsContact C-N 3.34Å; L413-E415 PolarHBondContact O-N 2.79Å; L413-L416 PolarHBondContact O-N 2.7Å; L413-N417 VanDerWaalsContact O-CB 3.26Å; L413-N417 WeakPolarHBondContact O-CB 3.35Å; L413-N417 VanDerWaalsContact O-CG 3.29Å; L413-N417 PolarHBondContact O-N 2.9Å; L413-N417 PolarHBondContact O-ND2 3.22Å; L413-W501 HydrophobicContact CB-CH2 3.99Å; L413-W501 HydrophobicContact CB-CZ2 4.1Å; L413-W501 HydrophobicContact CD1-CZ2 4.14Å
414R97.7Very high96.8Very high24 Ų2427.5 Ų27.59%0.09114%0.135CC..Hα-helixtrans-58.3-48.5175.6-179.9-87.7-179.1-136.5-1.7110.6F345 D396 T398 E410 E411 N417 K418F345-R414 HydrophobicContact CB-CG 4.22Å; F345-R414 HydrophobicContact CD1-CG 4.36Å; D396-R414 VanDerWaalsContact CG-NH2 3.31Å; D396-R414 VanDerWaalsContact O-CZ 3.25Å; D396-R414 PolarHBondContact O-NH1 2.74Å; D396-R414 PolarHBondContact O-NH2 2.86Å; D396-R414 IonicContact OD1-NH2 3.51Å; D396-R414 PolarHBondContact OD1-NH2 2.83Å; D396-R414 IonicContact OD2-NH2 2.64Å; D396-R414 PolarHBondContact OD2-NH2 3.03Å; T398-R414 WeakPolarHBondContact OG1-CD 2.86Å; T398-R414 PolarHBondContact OG1-NE 3.42Å; E410-R414 WeakPolarHBondContact O-CB 3.16Å; E410-R414 PolarHBondContact O-N 3.37Å; E411-R414 PolarHBondContact O-N 3.1Å; R414-N417 PolarHBondContact O-N 3.15Å; R414-K418 VanDerWaalsContact O-CB 3.27Å; R414-K418 WeakPolarHBondContact O-CB 3.5Å; R414-K418 PolarHBondContact O-N 3.11Å
415E98.4Very high97Very high1 Ų126.9 Ų26.91%0.00513%0.133CC..Hα-helixtrans-67.4-40.2-177.8-65.5-67.4111.400112.2A397 T398 E411 M412 L413 K418 A419 W442 K454 L457A397-E415 WeakPolarHBondContact CB-OE2 3.08Å; T398-E415 PolarHBondContact N-OE1 3.32Å; T398-E415 PolarHBondContact OG1-OE1 3.15Å; E411-E415 VanDerWaalsContact O-CG 3.3Å; E411-E415 WeakPolarHBondContact O-CG 3.38Å; E411-E415 PolarHBondContact O-N 2.69Å; M412-E415 PolarHBondContact O-N 3.05Å; L413-E415 VanDerWaalsContact C-N 3.34Å; L413-E415 PolarHBondContact O-N 2.79Å; E415-K418 PolarHBondContact O-N 3.06Å; E415-A419 PolarHBondContact O-N 2.85Å; E415-W442 HydrophobicContact CB-CH2 4.2Å; E415-W442 HydrophobicContact CB-CZ3 4.15Å; E415-W442 WeakPolarHBondContact OE2-CH2 3.14Å; E415-W442 WeakPolarHBondContact OE2-CZ3 3.19Å; E415-K454 IonicContact OE2-NZ 3.32Å; E415-K454 PolarHBondContact OE2-NZ 2.67Å; E415-L457 HydrophobicContact CB-CD1 3.88Å
416L98.7Very high97.1Very high0 Ų028.1 Ų28.10%014%0.139CC..Hα-helixtrans-63.8-46.5175.9-176.455.3000112W274 M412 L413 A419 Y420 L457 M460 A461 W501W274-L416 HydrophobicContact CB-CD2 4.46Å; W274-L416 HydrophobicContact CD2-CD2 3.39Å; W274-L416 HydrophobicContact CD2-CG 3.86Å; W274-L416 HydrophobicContact CE3-CD1 4.3Å; W274-L416 HydrophobicContact CE3-CD2 3.73Å; W274-L416 HydrophobicContact CE3-CG 4.13Å; W274-L416 HydrophobicContact CG-CD2 3.7Å; W274-L416 HydrophobicContact CH2-CD1 3.76Å; W274-L416 HydrophobicContact CH2-CD2 4.36Å; W274-L416 HydrophobicContact CH2-CG 3.82Å; W274-L416 HydrophobicContact CZ2-CD1 4.02Å; W274-L416 HydrophobicContact CZ2-CD2 4.08Å; W274-L416 HydrophobicContact CZ2-CG 3.54Å; W274-L416 HydrophobicContact CZ3-CD1 3.9Å; W274-L416 HydrophobicContact CZ3-CD2 4.18Å; W274-L416 HydrophobicContact CZ3-CG 4.09Å; M412-L416 VanDerWaalsContact O-CB 3.25Å; M412-L416 WeakPolarHBondContact O-CB 3.44Å; M412-L416 PolarHBondContact O-N 2.95Å; L413-L416 PolarHBondContact O-N 2.7Å; L416-A419 PolarHBondContact O-N 3.22Å; L416-Y420 WeakPolarHBondContact O-CB 3.39Å; L416-Y420 PolarHBondContact O-N 3.47Å; L416-L457 HydrophobicContact CB-CD2 4.21Å; L416-L457 HydrophobicContact CD1-CB 4.31Å; L416-L457 HydrophobicContact CD1-CD2 4.39Å; L416-L457 VanDerWaalsContact CD1-O 3.25Å; L416-L457 WeakPolarHBondContact CD1-O 3.37Å; L416-L457 HydrophobicContact CD2-CD2 4.45Å; L416-M460 HydrophobicContact CD1-CB 3.74Å; L416-M460 HydrophobicContact CD1-CE 4.42Å; L416-M460 HydrophobicContact CD2-CE 3.76Å; L416-A461 HydrophobicContact CD1-CB 4.24Å; L416-W501 HydrophobicContact CD2-CD2 4.31Å; L416-W501 HydrophobicContact CD2-CE3 3.83Å; L416-W501 HydrophobicContact CD2-CZ3 4.01Å
417N98.7Very high97Very high26 Ų2628.7 Ų28.714%0.13914%0.142CC..Hα-helixtrans-65.5-38.2176.7-77.2-18.1000112.1L267 W274 L413 R414 Y420 C421L267-N417 HydrophobicContact CD2-CB 3.83Å; L267-N417 WeakPolarHBondContact CD2-O 3.36Å; W274-N417 PolarHBondContact NE1-OD1 3.4Å; L413-N417 VanDerWaalsContact O-CB 3.26Å; L413-N417 WeakPolarHBondContact O-CB 3.35Å; L413-N417 VanDerWaalsContact O-CG 3.29Å; L413-N417 PolarHBondContact O-N 2.9Å; L413-N417 PolarHBondContact O-ND2 3.22Å; R414-N417 PolarHBondContact O-N 3.15Å; N417-Y420 PolarHBondContact O-N 2.97Å; N417-C421 WeakPolarHBondContact O-CB 3.47Å; N417-C421 PolarHBondContact O-N 3.39Å
418K98.6Very high96.8Very high0 Ų029.8 Ų29.80%015%0.147CC..Hα-helixtrans-59.3-50.5175.5176.666.453.4152.70111.5G344 F345 E347 T348 M395 D396 R414 E415 C421 G422 W442G344-K418 PolarHBondContact O-NZ 3.24Å; F345-K418 WeakPolarHBondContact O-CE 3.37Å; E347-K418 WeakPolarHBondContact O-CD 3.49Å; E347-K418 WeakPolarHBondContact O-CE 3.18Å; E347-K418 PolarHBondContact O-NZ 2.96Å; T348-K418 HydrophobicContact CG2-CD 3.8Å; M395-K418 HydrophobicContact CB-CD 3.98Å; M395-K418 HydrophobicContact CB-CG 4.02Å; D396-K418 IonicContact OD1-NZ 3.45Å; D396-K418 PolarHBondContact OD1-NZ 2.69Å; R414-K418 VanDerWaalsContact O-CB 3.27Å; R414-K418 WeakPolarHBondContact O-CB 3.5Å; R414-K418 PolarHBondContact O-N 3.11Å; E415-K418 PolarHBondContact O-N 3.06Å; K418-C421 WeakPolarHBondContact O-CB 3.43Å; K418-C421 PolarHBondContact O-N 3.05Å; K418-G422 PolarHBondContact O-N 2.9Å; K418-W442 HydrophobicContact CB-CH2 4.08Å; K418-W442 HydrophobicContact CB-CZ2 4.46Å; K418-W442 HydrophobicContact CG-CH2 3.86Å; K418-W442 HydrophobicContact CG-CZ2 3.74Å
419A98.8Very high96.5Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-60.2-47.2176.700000111M395 E415 L416 C421 G422 F423 A461M395-A419 HydrophobicContact SD-CB 4.37Å; E415-A419 PolarHBondContact O-N 2.85Å; L416-A419 PolarHBondContact O-N 3.22Å; A419-C421 PolarHBondContact O-N 2.88Å; A419-G422 PolarHBondContact O-N 3.39Å; A419-G422 VanDerWaalsContact O-N 3.12Å; A419-F423 HydrophobicContact CB-CD2 4.38Å; A419-F423 HydrophobicContact CB-CE2 3.73Å; A419-F423 HydrophobicContact CB-CZ 4.02Å; A419-F423 WeakPolarHBondContact O-CD1 3.4Å; A419-F423 VanDerWaalsContact O-CD2 3.23Å; A419-F423 WeakPolarHBondContact O-CD2 3.33Å; A419-F423 WeakPolarHBondContact O-CG 3.37Å; A419-F423 PolarHBondContact O-N 2.86Å; A419-F423 VanDerWaalsContact O-N 3.12Å; A419-A461 HydrophobicContact CB-CB 3.63Å
420Y98.8Very high96Very high1 Ų136.5 Ų36.50%0.00418%0.18CC..Hα-helixtrans-59.8-43178.4-177.4-107.2000113.4L267 P272 W274 L416 N417 G422 F423 T424 E426 Q464 A465L267-Y420 HydrophobicContact CD1-CD1 3.67Å; L267-Y420 HydrophobicContact CD1-CE1 3.85Å; L267-Y420 HydrophobicContact CD2-CD1 4.16Å; P272-Y420 VanDerWaalsContact CD-CD1 3.46Å; P272-Y420 VanDerWaalsContact CD-CE1 3.45Å; P272-Y420 HydrophobicContact CG-CD1 3.71Å; P272-Y420 HydrophobicContact CG-CD2 4.32Å; P272-Y420 HydrophobicContact CG-CE1 3.42Å; P272-Y420 VanDerWaalsContact CG-CE1 3.42Å; P272-Y420 HydrophobicContact CG-CE2 4.08Å; P272-Y420 HydrophobicContact CG-CG 4.15Å; W274-Y420 HydrophobicContact CH2-CD2 4.01Å; W274-Y420 AromaticContact CH2-CG 3.99Å; W274-Y420 HydrophobicContact CH2-CG 3.99Å; W274-Y420 HydrophobicContact CZ2-CD2 4.48Å; W274-Y420 HydrophobicContact CZ2-CG 4.03Å; L416-Y420 WeakPolarHBondContact O-CB 3.39Å; L416-Y420 PolarHBondContact O-N 3.47Å; N417-Y420 PolarHBondContact O-N 2.97Å; Y420-G422 PolarHBondContact O-N 3.4Å; Y420-F423 PolarHBondContact O-N 3.18Å; Y420-T424 HydrophobicContact CD1-CG2 4.34Å; Y420-T424 HydrophobicContact CE1-CG2 3.97Å; Y420-T424 WeakPolarHBondContact O-CB 3.38Å; Y420-T424 WeakPolarHBondContact O-CG2 3.33Å; Y420-T424 PolarHBondContact O-N 3.02Å; Y420-T424 PolarHBondContact OH-OG1 2.86Å; Y420-T424 VanDerWaalsContact OH-OG1 3.06Å; Y420-E426 VanDerWaalsContact OH-CD 3.22Å; Y420-E426 PolarHBondContact OH-OE2 3.26Å; Y420-Q464 HydrophobicContact CD2-CB 4.1Å; Y420-Q464 HydrophobicContact CD2-CG 3.96Å; Y420-Q464 HydrophobicContact CE2-CB 4.03Å; Y420-Q464 HydrophobicContact CE2-CG 3.58Å; Y420-A465 HydrophobicContact CD2-CB 4.15Å; Y420-A465 HydrophobicContact CE2-CB 4.06Å
421C98.5Very high95.8Very high0 Ų029.7 Ų29.70%015%0.148CC..Hα-helixtrans-53.9-42.8174.9-1790000112L267 D346 T348 N417 K418 A419L267-C421 HydrophobicContact CB-CB 3.93Å; L267-C421 HydrophobicContact CD2-CB 4.37Å; D346-C421 PolarHBondContact O-SG 3.46Å; T348-C421 HydrophobicContact CG2-CB 4.15Å; N417-C421 WeakPolarHBondContact O-CB 3.47Å; N417-C421 PolarHBondContact O-N 3.39Å; K418-C421 WeakPolarHBondContact O-CB 3.43Å; K418-C421 PolarHBondContact O-N 3.05Å; A419-C421 PolarHBondContact O-N 2.88Å
422G98.4Very high95.6Very high0 Ų032.8 Ų32.80%016%0.161CC..Hα-helixtrans-67.2-33.4177.200000113.9L302 K418 A419 Y420 L433L302-G422 WeakPolarHBondContact CD2-O 3.44Å; K418-G422 PolarHBondContact O-N 2.9Å; A419-G422 PolarHBondContact O-N 3.39Å; A419-G422 VanDerWaalsContact O-N 3.12Å; Y420-G422 PolarHBondContact O-N 3.4Å; G422-L433 WeakPolarHBondContact O-CD1 3.45Å
423F98.5Very high95.5Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-100.6-26.8-167.4-53.3-18.9000114.1L302 V304 V393 M395 A419 Y420 V437 A461 A465 K467L302-F423 HydrophobicContact CD2-CD1 3.89Å; V304-F423 HydrophobicContact CG2-CE1 4.03Å; V304-F423 HydrophobicContact CG2-CZ 4.34Å; V393-F423 HydrophobicContact CG1-CE1 4.19Å; M395-F423 HydrophobicContact CE-CE1 3.98Å; M395-F423 HydrophobicContact CE-CZ 3.63Å; M395-F423 HydrophobicContact SD-CE1 3.9Å; M395-F423 HydrophobicContact SD-CZ 3.96Å; A419-F423 HydrophobicContact CB-CD2 4.38Å; A419-F423 HydrophobicContact CB-CE2 3.73Å; A419-F423 HydrophobicContact CB-CZ 4.02Å; A419-F423 WeakPolarHBondContact O-CD1 3.4Å; A419-F423 VanDerWaalsContact O-CD2 3.23Å; A419-F423 WeakPolarHBondContact O-CD2 3.33Å; A419-F423 WeakPolarHBondContact O-CG 3.37Å; A419-F423 PolarHBondContact O-N 2.86Å; A419-F423 VanDerWaalsContact O-N 3.12Å; Y420-F423 PolarHBondContact O-N 3.18Å; F423-V437 HydrophobicContact CB-CG2 4.18Å; F423-V437 HydrophobicContact CD1-CG1 3.99Å; F423-V437 HydrophobicContact CD1-CG2 3.81Å; F423-V437 HydrophobicContact CD2-CG2 4.16Å; F423-V437 HydrophobicContact CE1-CG1 3.57Å; F423-V437 HydrophobicContact CE1-CG2 4.27Å; F423-V437 HydrophobicContact CE2-CG1 4.1Å; F423-V437 HydrophobicContact CG-CG1 4.47Å; F423-V437 HydrophobicContact CG-CG2 3.78Å; F423-V437 HydrophobicContact CZ-CG1 3.63Å; F423-A461 HydrophobicContact CD2-CB 3.79Å; F423-A461 HydrophobicContact CE2-CB 3.93Å; F423-A465 HydrophobicContact CB-CB 3.7Å; F423-K467 HydrophobicContact CB-CG 4.43Å; F423-K467 WeakPolarHBondContact O-CE 3.44Å
424T97.7Very high95.4Very high3 Ų330.4 Ų30.42%0.01815%0.149CC..  trans-70.9142-171-169.50000113.2R265 Y420 E426 L427R265-T424 PolarHBondContact NH1-O 3.18Å; Y420-T424 HydrophobicContact CD1-CG2 4.34Å; Y420-T424 HydrophobicContact CE1-CG2 3.97Å; Y420-T424 WeakPolarHBondContact O-CB 3.38Å; Y420-T424 WeakPolarHBondContact O-CG2 3.33Å; Y420-T424 PolarHBondContact O-N 3.02Å; Y420-T424 PolarHBondContact OH-OG1 2.86Å; Y420-T424 VanDerWaalsContact OH-OG1 3.06Å; T424-E426 WeakPolarHBondContact OG1-CB 3.18Å; T424-E426 PolarHBondContact OG1-N 3.25Å; T424-E426 VanDerWaalsContact OG1-N 3.11Å; T424-L427 HydrophobicContact CG2-CB 4.46Å; T424-L427 HydrophobicContact CG2-CD1 3.8Å; T424-L427 HydrophobicContact CG2-CG 3.86Å
425D95.5Very high95.4Very high34 Ų3430.6 Ų30.618%0.18215%0.153CC..SBendtrans-84.3-14168.3-67.3-27.6000111.9L427 F428 P429 K432 L433 K467D425-L427 PolarHBondContact O-N 2.81Å; D425-F428 CarbonylContact O-C 3.43Å; D425-F428 PolarHBondContact O-N 3.21Å; D425-P429 WeakPolarHBondContact O-CA 3.44Å; D425-K432 HydrophobicContact CB-CG 4.29Å; D425-K432 WeakPolarHBondContact OD1-CA 3.35Å; D425-L433 PolarHBondContact OD1-N 3.41Å; D425-K467 IonicContact OD1-NZ 2.74Å; D425-K467 PolarHBondContact OD1-NZ 3.49Å; D425-K467 IonicContact OD2-NZ 2.74Å; D425-K467 PolarHBondContact OD2-NZ 2.76Å
426E94.5Very high95.4Very high105 Ų10530.5 Ų30.549%0.49115%0.153SC..THydrogen-bonded Turntrans-63.8-27.4-173.7-67.1-175.5164.200113.4Y420 T424 F428 P429Y420-E426 VanDerWaalsContact OH-CD 3.22Å; Y420-E426 PolarHBondContact OH-OE2 3.26Å; T424-E426 WeakPolarHBondContact OG1-CB 3.18Å; T424-E426 PolarHBondContact OG1-N 3.25Å; T424-E426 VanDerWaalsContact OG1-N 3.11Å; E426-F428 VanDerWaalsContact C-N 3.31Å; E426-P429 WeakPolarHBondContact O-CD 3.33Å
427L92.5Very high95.4Very high17 Ų1730.5 Ų30.59%0.08915%0.153CC..THydrogen-bonded Turntrans-68.7-31.2174.9-71.5168.5000112.3R265 C266 L270 T424 D425R265-L427 HydrophobicContact CB-CD1 4.14Å; C266-L427 WeakPolarHBondContact O-CD2 3.46Å; L270-L427 HydrophobicContact CD1-CD2 3.56Å; L270-L427 HydrophobicContact CD1-CG 4.46Å; T424-L427 HydrophobicContact CG2-CB 4.46Å; T424-L427 HydrophobicContact CG2-CD1 3.8Å; T424-L427 HydrophobicContact CG2-CG 3.86Å; D425-L427 PolarHBondContact O-N 2.81Å
428F89.6Confident95.4Very high35 Ų3529.3 Ų29.315%0.15415%0.146CC..SBendtrans-14471.1-179.7-64-85.7000111.3E174 T263 R265 D425 E426 E430 R431E174-F428 HydrophobicContact CB-CZ 4.32Å; T263-F428 HydrophobicContact CG2-CD2 4.49Å; T263-F428 HydrophobicContact CG2-CE2 4.03Å; T263-F428 HydrophobicContact CG2-CZ 4.06Å; R265-F428 HydrophobicContact CG-CD2 4.41Å; R265-F428 HydrophobicContact CG-CE2 3.88Å; D425-F428 CarbonylContact O-C 3.43Å; D425-F428 PolarHBondContact O-N 3.21Å; E426-F428 VanDerWaalsContact C-N 3.31Å; F428-E430 PolarHBondContact O-N 3.31Å; F428-E430 VanDerWaalsContact O-N 3.12Å; F428-R431 CarbonylContact O-C 3.6Å; F428-R431 VanDerWaalsContact O-C 3.26Å; F428-R431 PolarHBondContact O-N 3.42Å
429P88Confident95.4Very high83 Ų8329.3 Ų29.354%0.53915%0.146SC..THydrogen-bonded Turntrans-60.2-30.4-171.3-2635.7000114.3D425 E426 R431D425-P429 WeakPolarHBondContact O-CA 3.44Å; E426-P429 WeakPolarHBondContact O-CD 3.33Å; P429-R431 PolarHBondContact O-N 2.91Å
430E86.9Confident95.3Very high160 Ų16029.3 Ų29.375%0.74815%0.146SC*.THydrogen-bonded Turntrans-73.1-14.6178-59.7-67178.800113.4P27 F428P27-E430 WeakPolarHBondContact CD-O 3.5Å; F428-E430 PolarHBondContact O-N 3.31Å; F428-E430 VanDerWaalsContact O-N 3.12Å
431R89.8Confident95.3Very high19 Ų1930.9 Ų30.97%0.07216%0.155CC..SBendtrans-136.173.5179.6-173.4163.658.1121.80.5109.6L26 S176 T261 T263 E352 W385 F428 P429L26-R431 HydrophobicContact CD2-CG 4.18Å; S176-R431 PolarHBondContact OG-NH2 3.45Å; T261-R431 VanDerWaalsContact CG2-NH1 3.26Å; T263-R431 PolarHBondContact OG1-NH1 2.98Å; T263-R431 PolarHBondContact OG1-NH2 3.07Å; E352-R431 IonicContact OE1-NH1 3.73Å; E352-R431 IonicContact OE2-CZ 3.17Å; E352-R431 IonicContact OE2-NH1 3.8Å; E352-R431 PolarHBondContact OE2-NH1 3.37Å; W385-R431 VanDerWaalsContact CH2-CD 3.46Å; F428-R431 CarbonylContact O-C 3.6Å; F428-R431 VanDerWaalsContact O-C 3.26Å; F428-R431 PolarHBondContact O-N 3.42Å; P429-R431 PolarHBondContact O-N 2.91Å
432K93.5Very high95.2Very high117 Ų11731 Ų3151%0.50916%0.155SC..PPolyproline II helixtrans-58.4138.2178.1-62.3-173.4-179.4-178.50111P24 D425P24-K432 HydrophobicContact CB-CB 4.03Å; D425-K432 HydrophobicContact CB-CG 4.29Å; D425-K432 WeakPolarHBondContact OD1-CA 3.35Å
433L95.5Very high95.1Very high4 Ų431.4 Ų31.42%0.02116%0.159CC..PPolyproline II helixtrans-72.2161.1171.4-67.5-177.2000111.1R265 L302 I350 G422 D425 K467R265-L433 VanDerWaalsContact NH2-CG 3.31Å; L302-L433 HydrophobicContact CD1-CD1 4.36Å; L302-L433 HydrophobicContact CD1-CD2 4.47Å; L302-L433 HydrophobicContact CD2-CD1 3.82Å; I350-L433 HydrophobicContact CD1-CD1 4.17Å; I350-L433 HydrophobicContact CG1-CD2 4.28Å; I350-L433 HydrophobicContact CG2-CD2 3.71Å; G422-L433 WeakPolarHBondContact O-CD1 3.45Å; D425-L433 PolarHBondContact OD1-N 3.41Å; L433-K467 PolarHBondContact O-NZ 3.48Å
434P95.9Very high95Very high10 Ų1032.4 Ų32.47%0.06517%0.166CC..PPolyproline II helixtrans-50.3145.8171.2-25.133.8000112.7N300 T301 L302 A391 V436 K467N300-P434 VanDerWaalsContact C-CB 3.42Å; N300-P434 WeakPolarHBondContact O-CB 3.39Å; T301-P434 VanDerWaalsContact C-CB 3.4Å; T301-P434 WeakPolarHBondContact O-CG 3.23Å; L302-P434 HydrophobicContact CB-CB 4.35Å; L302-P434 HydrophobicContact CB-CG 4.47Å; A391-P434 HydrophobicContact CB-CG 3.99Å; P434-V436 VanDerWaalsContact C-N 3.31Å; P434-V436 PolarHBondContact O-N 2.94Å; P434-K467 PolarHBondContact O-NZ 2.88Å
435P96.2Very high94.7Very high27 Ų2734.9 Ų34.918%0.17519%0.193CC..SBendtrans-71.9-20.8-171.927.3-36000114.3N300 K467 S468N300-P435 HydrophobicContact CB-CG 4.47Å; N300-P435 WeakPolarHBondContact O-CD 3.41Å; P435-K467 WeakPolarHBondContact O-CA 3.27Å; P435-K467 WeakPolarHBondContact O-CB 3.33Å; P435-S468 PolarHBondContact O-N 2.89Å
436V98.1Very high94.4Very high0 Ų037 Ų370%022%0.215CC..EExtended strand (participates in β ladder)trans-112.3122.4-175.5-171.10000110.5L16 L19 T20 T301 L302 P434 S468 A470L16-V436 HydrophobicContact CD1-CG1 4.21Å; L19-V436 HydrophobicContact CB-CG2 3.57Å; L19-V436 WeakPolarHBondContact O-CG2 3.35Å; T20-V436 HydrophobicContact CG2-CB 4.47Å; T20-V436 HydrophobicContact CG2-CG2 3.9Å; T301-V436 CarbonylContact C-O 3.55Å; T301-V436 WeakPolarHBondContact CA-O 3.38Å; T301-V436 HydrophobicContact CG2-CB 4.27Å; L302-V436 PolarHBondContact N-O 3.16Å; P434-V436 VanDerWaalsContact C-N 3.31Å; P434-V436 PolarHBondContact O-N 2.94Å; V436-S468 WeakPolarHBondContact CA-O 3.22Å; V436-A470 HydrophobicContact CG1-CB 3.76Å
437V98.8Very high94.4Very high0 Ų034.2 Ų34.20%020%0.201CC..EExtended strand (participates in β ladder)trans-84.9113.5169.31790000108.6L302 V304 F423 T439 K467 S468 A470L302-V437 HydrophobicContact CD2-CG2 4.21Å; L302-V437 CarbonylContact O-C 3.58Å; L302-V437 WeakPolarHBondContact O-CA 3.45Å; V304-V437 HydrophobicContact CG2-CG1 3.76Å; F423-V437 HydrophobicContact CB-CG2 4.18Å; F423-V437 HydrophobicContact CD1-CG1 3.99Å; F423-V437 HydrophobicContact CD1-CG2 3.81Å; F423-V437 HydrophobicContact CD2-CG2 4.16Å; F423-V437 HydrophobicContact CE1-CG1 3.57Å; F423-V437 HydrophobicContact CE1-CG2 4.27Å; F423-V437 HydrophobicContact CE2-CG1 4.1Å; F423-V437 HydrophobicContact CG-CG1 4.47Å; F423-V437 HydrophobicContact CG-CG2 3.78Å; F423-V437 HydrophobicContact CZ-CG1 3.63Å; V437-T439 HydrophobicContact CG1-CG2 4.48Å; V437-K467 HydrophobicContact CG2-CB 3.83Å; V437-K467 HydrophobicContact CG2-CG 4.11Å; V437-S468 PolarHBondContact N-O 3.2Å; V437-A470 PolarHBondContact O-N 3.01Å
438A98.7Very high94.6Very high0 Ų039.3 Ų39.30%022%0.219CC..EExtended strand (participates in β ladder)trans-96111.5174.800000109.5I294 A297 L302 Q303 V304 A470 F472I294-A438 HydrophobicContact CG2-CB 4.23Å; I294-A438 WeakPolarHBondContact CG2-O 3.3Å; A297-A438 HydrophobicContact CB-CB 3.42Å; A297-A438 VanDerWaalsContact CB-CB 3.42Å; L302-A438 PolarHBondContact O-N 3.27Å; Q303-A438 HydrophobicContact CG-CB 4.3Å; V304-A438 WeakPolarHBondContact CG2-O 3.4Å; V304-A438 PolarHBondContact N-O 3.19Å; A438-A470 CarbonylContact C-O 3.5Å; A438-A470 WeakPolarHBondContact CA-O 3.11Å; A438-F472 HydrophobicContact CB-CE2 4.12Å
439T98.7Very high94.9Very high0 Ų038.1 Ų38.10%022%0.216CC..EExtended strand (participates in β ladder)trans-144.7-169.4-171.3-164.30000111.9V304 V437 Q458 L469 A470 Y471 F472V304-T439 VanDerWaalsContact CG2-CB 3.49Å; V304-T439 WeakPolarHBondContact CG2-OG1 3.45Å; V437-T439 HydrophobicContact CG1-CG2 4.48Å; T439-Q458 PolarHBondContact OG1-OE1 2.95Å; T439-L469 HydrophobicContact CG2-CD1 3.42Å; T439-L469 VanDerWaalsContact CG2-CD1 3.42Å; T439-A470 PolarHBondContact N-O 3.36Å; T439-Y471 HydrophobicContact CG2-CD2 3.95Å; T439-Y471 HydrophobicContact CG2-CE2 4.45Å; T439-F472 WeakPolarHBondContact O-CD2 3.39Å; T439-F472 PolarHBondContact O-N 3.07Å
440G97.9Very high95.3Very high0 Ų036 Ų360%020%0.2CC..EExtended strand (participates in β ladder)trans-168.8-136.8173.500000110.4W442 Q458 Y471 F472G440-W442 PolarHBondContact O-N 3.45Å; G440-Q458 PolarHBondContact O-NE2 3.49Å; G440-Q458 VanDerWaalsContact O-NE2 3.09Å; G440-Y471 VanDerWaalsContact C-OH 3.23Å; G440-Y471 WeakPolarHBondContact O-CE2 3.45Å; G440-Y471 VanDerWaalsContact O-CZ 3.3Å; G440-Y471 PolarHBondContact O-OH 3.5Å; G440-F472 VanDerWaalsContact CA-O 3.27Å; G440-F472 WeakPolarHBondContact CA-O 3.13Å
441N97.2Very high95.7Very high35 Ų3530.9 Ų30.919%0.18718%0.178CC..SBendtrans-71.354.3-176.5-59.6-20.4000113.9G443 C444 I451 Y471 F474N441-G443 PolarHBondContact O-N 3.48Å; N441-C444 HydrophobicContact CB-CB 4.05Å; N441-C444 WeakPolarHBondContact O-CB 3.46Å; N441-C444 PolarHBondContact O-N 2.92Å; N441-C444 VanDerWaalsContact O-N 3.14Å; N441-I451 HydrophobicContact CB-CG2 4.41Å; N441-Y471 WeakPolarHBondContact CA-OH 3.47Å; N441-Y471 PolarHBondContact N-OH 3.4Å; N441-Y471 WeakPolarHBondContact OD1-CE1 3.38Å; N441-Y471 PolarHBondContact OD1-OH 2.88Å; N441-F474 HydrophobicContact CB-CE2 4.46Å
442W98.1Very high96.1Very high1 Ų130.6 Ų30.60%0.00418%0.177CC..THydrogen-bonded Turntrans-55.5123-179.4173.859.7000111.4F306 M395 D396 A397 E415 K418 G440 C444 K454 Q458F306-W442 HydrophobicContact CD1-CB 3.81Å; F306-W442 AromaticContact CD1-CD1 3.61Å; F306-W442 HydrophobicContact CD1-CG 4.1Å; F306-W442 HydrophobicContact CE1-CB 3.7Å; F306-W442 HydrophobicContact CE1-CG 4.42Å; F306-W442 HydrophobicContact CG-CB 4.45Å; F306-W442 HydrophobicContact CZ-CB 4.23Å; M395-W442 HydrophobicContact CE-CD2 3.78Å; M395-W442 HydrophobicContact CE-CE3 4.2Å; M395-W442 HydrophobicContact CE-CG 3.96Å; M395-W442 HydrophobicContact CE-CZ2 4.41Å; M395-W442 HydrophobicContact CG-CZ2 4.23Å; M395-W442 PolarHBondContact O-NE1 3.19Å; M395-W442 HydrophobicContact SD-CZ2 4.33Å; D396-W442 WeakPolarHBondContact O-CZ2 3.44Å; A397-W442 HydrophobicContact CB-CD2 4.34Å; A397-W442 HydrophobicContact CB-CZ2 3.93Å; E415-W442 HydrophobicContact CB-CH2 4.2Å; E415-W442 HydrophobicContact CB-CZ3 4.15Å; E415-W442 WeakPolarHBondContact OE2-CH2 3.14Å; E415-W442 WeakPolarHBondContact OE2-CZ3 3.19Å; K418-W442 HydrophobicContact CB-CH2 4.08Å; K418-W442 HydrophobicContact CB-CZ2 4.46Å; K418-W442 HydrophobicContact CG-CH2 3.86Å; K418-W442 HydrophobicContact CG-CZ2 3.74Å; G440-W442 PolarHBondContact O-N 3.45Å; W442-C444 PolarHBondContact O-N 3.36Å; W442-C444 PolarHBondContact O-SG 3.48Å; W442-K454 HydrophobicContact CE3-CD 4.14Å; W442-K454 HydrophobicContact CZ3-CD 4.32Å; W442-K454 WeakPolarHBondContact O-CG 3.27Å; W442-Q458 HydrophobicContact CE3-CG 4.25Å
443G96.4Very high96.3Very high9 Ų925.1 Ų25.19%0.09315%0.153CC..THydrogen-bonded Turntrans71.17.1179.100000115.8N441 F447 G449N441-G443 PolarHBondContact O-N 3.48Å; G443-F447 CarbonylContact O-C 3.46Å; G443-F447 WeakPolarHBondContact O-CB 3.26Å; G443-G449 WeakPolarHBondContact O-CA 3.43Å; G443-G449 PolarHBondContact O-N 3.29Å
444C96.1Very high96.4Very high21 Ų2125 Ų2514%0.14215%0.153CC..  trans-96.9-14.3-171-55.90000114.7N441 W442 G449 I451N441-C444 HydrophobicContact CB-CB 4.05Å; N441-C444 WeakPolarHBondContact O-CB 3.46Å; N441-C444 PolarHBondContact O-N 2.92Å; N441-C444 VanDerWaalsContact O-N 3.14Å; W442-C444 PolarHBondContact O-N 3.36Å; W442-C444 PolarHBondContact O-SG 3.48Å; C444-G449 WeakPolarHBondContact CA-O 3.38Å; C444-G449 WeakPolarHBondContact CB-O 3.49Å; C444-I451 HydrophobicContact CB-CG2 3.48Å; C444-I451 VanDerWaalsContact CB-CG2 3.48Å
445G91.2Very high96.6Very high56 Ų5624.5 Ų24.558%0.57715%0.15SC*.SBendtrans-81.5-109.4176.500000112.1F447 R448G445-F447 PolarHBondContact O-N 3.03Å; G445-R448 PolarHBondContact O-N 2.98Å
446A89Confident96.7Very high78 Ų7823.2 Ų23.265%0.64514%0.141SC*.THydrogen-bonded Turntrans-60.2-13.5-179.200000114.8
447F94.7Very high96.7Very high47 Ų4723.2 Ų23.221%0.20614%0.141CC..THydrogen-bonded Turntrans-96.9-7.9-177.8-79.4-132.1000112.9A397 K399 Y400 G443 G445 G449A397-F447 HydrophobicContact CB-CD1 4.08Å; A397-F447 VanDerWaalsContact O-CD1 3.23Å; A397-F447 WeakPolarHBondContact O-CD1 3.4Å; A397-F447 WeakPolarHBondContact O-CE1 3.36Å; K399-F447 HydrophobicContact CB-CB 4.43Å; K399-F447 HydrophobicContact CB-CD1 3.67Å; K399-F447 HydrophobicContact CB-CE1 4.04Å; K399-F447 HydrophobicContact CB-CG 3.99Å; K399-F447 HydrophobicContact CG-CG 4.39Å; Y400-F447 PolarHBondContact N-O 3.3Å; Y400-F447 VanDerWaalsContact N-O 3.15Å; G443-F447 CarbonylContact O-C 3.46Å; G443-F447 WeakPolarHBondContact O-CB 3.26Å; G445-F447 PolarHBondContact O-N 3.03Å; F447-G449 PolarHBondContact O-N 3.23Å
448R95.7Very high96.7Very high124 Ų12423.2 Ų23.247%0.46814%0.141SC..  trans61.825.9172-53.6174.266.2-160.94.9114.8Y400 S401 P403 G445Y400-R448 PolarHBondContact O-NH1 3.5Å; S401-R448 PolarHBondContact O-NH1 2.59Å; P403-R448 VanDerWaalsContact CD-NH2 3.3Å; P403-R448 HydrophobicContact CG-CB 4.16Å; P403-R448 VanDerWaalsContact CG-CZ 3.43Å; P403-R448 VanDerWaalsContact CG-NH2 3.28Å; G445-R448 PolarHBondContact O-N 2.98Å
449G96.2Very high96.8Very high9 Ų923.2 Ų23.29%0.09314%0.141CC..  trans-67.7151.4168.400000112.3Q406 G443 C444 F447Q406-G449 VanDerWaalsContact OE1-CA 3.28Å; G443-G449 WeakPolarHBondContact O-CA 3.43Å; G443-G449 PolarHBondContact O-N 3.29Å; C444-G449 WeakPolarHBondContact CA-O 3.38Å; C444-G449 WeakPolarHBondContact CB-O 3.49Å; F447-G449 PolarHBondContact O-N 3.23Å
450D96Very high96.8Very high38 Ų3823.2 Ų23.220%0.20314%0.141CC..  trans-79.1123.9173.7179.7-83.7000110Y407 E452 L453 K454Y407-D450 HydrophobicContact CE1-CB 4.45Å; Y407-D450 PolarHBondContact OH-OD2 3.29Å; D450-E452 VanDerWaalsContact C-N 3.28Å; D450-E452 PolarHBondContact O-N 2.86Å; D450-E452 WeakPolarHBondContact OD1-CA 3.41Å; D450-E452 WeakPolarHBondContact OD1-CB 3.29Å; D450-E452 PolarHBondContact OD1-N 3.2Å; D450-L453 HydrophobicContact CB-CB 4.05Å; D450-L453 PolarHBondContact O-N 2.74Å; D450-L453 PolarHBondContact OD1-N 2.95Å; D450-K454 WeakPolarHBondContact O-CB 3.46Å; D450-K454 WeakPolarHBondContact O-CG 3.39Å; D450-K454 PolarHBondContact O-N 3.34Å
451I96.9Very high96.8Very high53 Ų5323.2 Ų23.227%0.27214%0.141SC..Hα-helixtrans-63.3-34-174.358.1174.9000112.6N441 C444 C455 F479N441-I451 HydrophobicContact CB-CG2 4.41Å; C444-I451 HydrophobicContact CB-CG2 3.48Å; C444-I451 VanDerWaalsContact CB-CG2 3.48Å; I451-C455 WeakPolarHBondContact O-CB 3.25Å; I451-C455 PolarHBondContact O-N 3.45Å; I451-F479 HydrophobicContact CB-CE1 3.99Å; I451-F479 HydrophobicContact CB-CZ 3.82Å; I451-F479 HydrophobicContact CD1-CD1 4.14Å; I451-F479 HydrophobicContact CD1-CD2 4Å; I451-F479 HydrophobicContact CD1-CE1 4.04Å; I451-F479 HydrophobicContact CD1-CE2 3.93Å; I451-F479 HydrophobicContact CD1-CG 4.12Å; I451-F479 HydrophobicContact CD1-CZ 3.96Å; I451-F479 HydrophobicContact CG1-CE1 4.27Å; I451-F479 HydrophobicContact CG1-CE2 4.06Å; I451-F479 HydrophobicContact CG1-CZ 3.87Å
452E97.8Very high96.9Very high14 Ų1421.5 Ų21.57%0.06513%0.132CC..Hα-helixtrans-75.2-47.7-177.5-65.3177.2-172.200110.2D450 K454 C455 I456 F479 R482 S517 V518 F519D450-E452 VanDerWaalsContact C-N 3.28Å; D450-E452 PolarHBondContact O-N 2.86Å; D450-E452 WeakPolarHBondContact OD1-CA 3.41Å; D450-E452 WeakPolarHBondContact OD1-CB 3.29Å; D450-E452 PolarHBondContact OD1-N 3.2Å; E452-K454 PolarHBondContact O-N 3.49Å; E452-C455 WeakPolarHBondContact O-CB 3.26Å; E452-C455 PolarHBondContact O-N 2.74Å; E452-I456 WeakPolarHBondContact O-CG1 3.34Å; E452-I456 PolarHBondContact O-N 3.15Å; E452-F479 HydrophobicContact CG-CE2 3.99Å; E452-R482 IonicContact OE1-CZ 3.07Å; E452-R482 IonicContact OE1-NH1 3.71Å; E452-R482 PolarHBondContact OE1-NH1 3.4Å; E452-R482 IonicContact OE1-NH2 2.72Å; E452-R482 PolarHBondContact OE1-NH2 3.25Å; E452-R482 IonicContact OE2-NH2 2.69Å; E452-S517 VanDerWaalsContact CD-OG 3.26Å; E452-S517 PolarHBondContact OE1-OG 3.41Å; E452-S517 WeakPolarHBondContact OE2-CA 3.3Å; E452-S517 WeakPolarHBondContact OE2-CB 3.5Å; E452-S517 PolarHBondContact OE2-OG 2.94Å; E452-V518 HydrophobicContact CB-CB 3.89Å; E452-V518 HydrophobicContact CB-CG2 4.24Å; E452-V518 PolarHBondContact OE2-N 3.37Å; E452-F519 HydrophobicContact CB-CD1 3.73Å; E452-F519 HydrophobicContact CB-CE1 3.7Å; E452-F519 HydrophobicContact CB-CG 4.2Å; E452-F519 HydrophobicContact CB-CZ 4.15Å; E452-F519 HydrophobicContact CG-CD1 4.08Å; E452-F519 HydrophobicContact CG-CD2 4.05Å; E452-F519 HydrophobicContact CG-CE1 4.14Å; E452-F519 HydrophobicContact CG-CE2 4.12Å; E452-F519 HydrophobicContact CG-CG 4.04Å; E452-F519 HydrophobicContact CG-CZ 4.16Å; E452-F519 PolarHBondContact OE2-N 3.17Å
453L97.4Very high96.9Very high1 Ų121.8 Ų21.81%0.00513%0.134CC..Hα-helixtrans-57-52.2174.8-179.961000110.8Q406 Y407 M412 D450 C455 I456 L457 L504 V518Q406-L453 HydrophobicContact CG-CD2 3.93Å; Y407-L453 HydrophobicContact CD1-CD2 3.81Å; Y407-L453 HydrophobicContact CE1-CD2 3.92Å; M412-L453 HydrophobicContact CG-CD1 4.28Å; M412-L453 HydrophobicContact CG-CD2 4.18Å; M412-L453 HydrophobicContact SD-CD1 3.79Å; M412-L453 HydrophobicContact SD-CD2 4.43Å; D450-L453 HydrophobicContact CB-CB 4.05Å; D450-L453 PolarHBondContact O-N 2.74Å; D450-L453 PolarHBondContact OD1-N 2.95Å; L453-C455 PolarHBondContact O-N 3.38Å; L453-I456 PolarHBondContact O-N 3.41Å; L453-I456 VanDerWaalsContact O-N 3.15Å; L453-L457 HydrophobicContact CD1-CD1 4.2Å; L453-L457 HydrophobicContact CD1-CD2 4.43Å; L453-L457 HydrophobicContact CD1-CG 4.17Å; L453-L457 HydrophobicContact CG-CD1 4.09Å; L453-L457 HydrophobicContact CG-CG 4.4Å; L453-L457 WeakPolarHBondContact O-CG 3.29Å; L453-L457 PolarHBondContact O-N 2.94Å; L453-L504 HydrophobicContact CD1-CD2 4.26Å; L453-V518 HydrophobicContact CB-CG2 4.21Å
454K98.4Very high97Very high1 Ų122.9 Ų22.90%0.00414%0.136CC..Hα-helixtrans-62.1-34.3-179.7-65-68.1-174.9-169.60111.9E415 W442 D450 E452 Q458E415-K454 IonicContact OE2-NZ 3.32Å; E415-K454 PolarHBondContact OE2-NZ 2.67Å; W442-K454 HydrophobicContact CE3-CD 4.14Å; W442-K454 HydrophobicContact CZ3-CD 4.32Å; W442-K454 WeakPolarHBondContact O-CG 3.27Å; D450-K454 WeakPolarHBondContact O-CB 3.46Å; D450-K454 WeakPolarHBondContact O-CG 3.39Å; D450-K454 PolarHBondContact O-N 3.34Å; E452-K454 PolarHBondContact O-N 3.49Å; K454-Q458 WeakPolarHBondContact O-CB 3.4Å; K454-Q458 VanDerWaalsContact O-CG 3.22Å; K454-Q458 WeakPolarHBondContact O-CG 3.32Å; K454-Q458 PolarHBondContact O-N 2.84Å; K454-Q458 PolarHBondContact O-NE2 3.47Å
455C98.8Very high97.1Very high0 Ų022.1 Ų22.10%013%0.132CC..Hα-helixtrans-64.1-49174-1760000111.3I451 E452 L453 L457 Q458 M459 Y471 F479 F519I451-C455 WeakPolarHBondContact O-CB 3.25Å; I451-C455 PolarHBondContact O-N 3.45Å; E452-C455 WeakPolarHBondContact O-CB 3.26Å; E452-C455 PolarHBondContact O-N 2.74Å; L453-C455 PolarHBondContact O-N 3.38Å; C455-L457 PolarHBondContact O-N 3.01Å; C455-Q458 PolarHBondContact O-N 3.07Å; C455-M459 WeakPolarHBondContact O-CG 3.33Å; C455-M459 PolarHBondContact O-N 3.45Å; C455-Y471 HydrophobicContact CB-CE2 3.98Å; C455-F479 HydrophobicContact CB-CZ 4.23Å; C455-F519 HydrophobicContact CB-CZ 4.34Å
456I98.8Very high97.4Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-57.7-49.2176.4-67.9-55.6000111.7E452 L453 Q458 M459 M460 M486 L490 L500 L504 F519 I522E452-I456 WeakPolarHBondContact O-CG1 3.34Å; E452-I456 PolarHBondContact O-N 3.15Å; L453-I456 PolarHBondContact O-N 3.41Å; L453-I456 VanDerWaalsContact O-N 3.15Å; I456-Q458 VanDerWaalsContact C-N 3.29Å; I456-Q458 PolarHBondContact O-N 3.36Å; I456-M459 PolarHBondContact O-N 2.91Å; I456-M459 VanDerWaalsContact O-N 3.16Å; I456-M460 HydrophobicContact CG2-CG 4.28Å; I456-M460 HydrophobicContact CG2-SD 3.74Å; I456-M460 WeakPolarHBondContact O-CG 3.25Å; I456-M460 PolarHBondContact O-N 3.43Å; I456-M486 HydrophobicContact CD1-CG 3.89Å; I456-L490 HydrophobicContact CD1-CD1 4.25Å; I456-L500 HydrophobicContact CG2-CD2 3.65Å; I456-L500 HydrophobicContact CG2-CG 4.1Å; I456-L504 HydrophobicContact CG2-CD1 3.99Å; I456-F519 HydrophobicContact CD1-CD1 4.18Å; I456-F519 HydrophobicContact CD1-CE1 3.77Å; I456-F519 HydrophobicContact CG1-CD1 4.21Å; I456-F519 HydrophobicContact CG1-CE1 3.82Å; I456-I522 HydrophobicContact CD1-CD1 4.03Å; I456-I522 HydrophobicContact CG1-CD1 3.86Å
457L98.8Very high97.8Very high0 Ų024.5 Ų24.50%011%0.112CC..Hα-helixtrans-62.2-38.8-178.5-61.5179.5000111.4M412 E415 L416 L453 C455 M460 A461 W501 L504M412-L457 HydrophobicContact CB-CD1 4.48Å; E415-L457 HydrophobicContact CB-CD1 3.88Å; L416-L457 HydrophobicContact CB-CD2 4.21Å; L416-L457 HydrophobicContact CD1-CB 4.31Å; L416-L457 HydrophobicContact CD1-CD2 4.39Å; L416-L457 VanDerWaalsContact CD1-O 3.25Å; L416-L457 WeakPolarHBondContact CD1-O 3.37Å; L416-L457 HydrophobicContact CD2-CD2 4.45Å; L453-L457 HydrophobicContact CD1-CD1 4.2Å; L453-L457 HydrophobicContact CD1-CD2 4.43Å; L453-L457 HydrophobicContact CD1-CG 4.17Å; L453-L457 HydrophobicContact CG-CD1 4.09Å; L453-L457 HydrophobicContact CG-CG 4.4Å; L453-L457 WeakPolarHBondContact O-CG 3.29Å; L453-L457 PolarHBondContact O-N 2.94Å; C455-L457 PolarHBondContact O-N 3.01Å; L457-M460 HydrophobicContact CD2-SD 4.29Å; L457-M460 PolarHBondContact O-N 2.9Å; L457-A461 WeakPolarHBondContact O-CB 3.36Å; L457-A461 PolarHBondContact O-N 3.48Å; L457-W501 HydrophobicContact CD2-CZ3 4.35Å; L457-L504 HydrophobicContact CD2-CD1 3.9Å
458Q98.9Very high98Very high0 Ų023.2 Ų23.20%011%0.109CC..Hα-helixtrans-67.5-38.8175-73.8179.895.800112.7T439 G440 W442 K454 C455 I456 A461 C462T439-Q458 PolarHBondContact OG1-OE1 2.95Å; G440-Q458 PolarHBondContact O-NE2 3.49Å; G440-Q458 VanDerWaalsContact O-NE2 3.09Å; W442-Q458 HydrophobicContact CE3-CG 4.25Å; K454-Q458 WeakPolarHBondContact O-CB 3.4Å; K454-Q458 VanDerWaalsContact O-CG 3.22Å; K454-Q458 WeakPolarHBondContact O-CG 3.32Å; K454-Q458 PolarHBondContact O-N 2.84Å; K454-Q458 PolarHBondContact O-NE2 3.47Å; C455-Q458 PolarHBondContact O-N 3.07Å; I456-Q458 VanDerWaalsContact C-N 3.29Å; I456-Q458 PolarHBondContact O-N 3.36Å; Q458-A461 PolarHBondContact O-N 2.92Å; Q458-C462 WeakPolarHBondContact O-CB 3.38Å; Q458-C462 PolarHBondContact O-N 2.75Å; Q458-C462 PolarHBondContact O-SG 3.4Å
459M98.9Very high98.2Very high0 Ų017.3 Ų17.30%09%0.086CC..Hα-helixtrans-62.3-45.8173.3-69.9179.8174.700111.8F281 L284 L286 C455 I456 A461 C462 L463 L469 I483F281-M459 HydrophobicContact CE1-CB 3.78Å; F281-M459 HydrophobicContact CE1-SD 4.28Å; F281-M459 HydrophobicContact CZ-CB 4.4Å; L284-M459 HydrophobicContact CD2-CB 3.99Å; L284-M459 HydrophobicContact CD2-CG 4.18Å; L286-M459 HydrophobicContact CD1-CE 4.3Å; L286-M459 HydrophobicContact CD2-CE 4.03Å; C455-M459 WeakPolarHBondContact O-CG 3.33Å; C455-M459 PolarHBondContact O-N 3.45Å; I456-M459 PolarHBondContact O-N 2.91Å; I456-M459 VanDerWaalsContact O-N 3.16Å; M459-A461 VanDerWaalsContact C-N 3.34Å; M459-A461 PolarHBondContact O-N 2.82Å; M459-C462 PolarHBondContact O-N 3.36Å; M459-L463 WeakPolarHBondContact O-CB 3.43Å; M459-L463 PolarHBondContact O-N 3.49Å; M459-L469 HydrophobicContact CB-CD2 4.34Å; M459-L469 HydrophobicContact CG-CD2 3.53Å; M459-I483 HydrophobicContact CE-CG2 3.36Å
460M98.9Very high98.3Very high0 Ų016.9 Ų16.90%08%0.082CC..Hα-helixtrans-59-46176.6-7017165.800111.3F281 L416 I456 L457 L463 Q464 V497 L500 W501 L504F281-M460 HydrophobicContact CE2-CG 4.49Å; F281-M460 HydrophobicContact CZ-CG 3.91Å; L416-M460 HydrophobicContact CD1-CB 3.74Å; L416-M460 HydrophobicContact CD1-CE 4.42Å; L416-M460 HydrophobicContact CD2-CE 3.76Å; I456-M460 HydrophobicContact CG2-CG 4.28Å; I456-M460 HydrophobicContact CG2-SD 3.74Å; I456-M460 WeakPolarHBondContact O-CG 3.25Å; I456-M460 PolarHBondContact O-N 3.43Å; L457-M460 HydrophobicContact CD2-SD 4.29Å; L457-M460 PolarHBondContact O-N 2.9Å; M460-L463 PolarHBondContact O-N 2.95Å; M460-Q464 VanDerWaalsContact O-CB 3.3Å; M460-Q464 WeakPolarHBondContact O-CB 3.46Å; M460-Q464 PolarHBondContact O-N 3.39Å; M460-V497 HydrophobicContact CB-CG1 4.27Å; M460-V497 HydrophobicContact CE-CG1 3.93Å; M460-V497 HydrophobicContact CG-CG1 4.46Å; M460-L500 HydrophobicContact CG-CD2 3.95Å; M460-L500 HydrophobicContact SD-CD2 4.04Å; M460-L500 HydrophobicContact SD-CG 4.11Å; M460-W501 HydrophobicContact CE-CB 3.67Å; M460-W501 HydrophobicContact CE-CD2 4.47Å; M460-W501 HydrophobicContact CE-CE3 4.06Å; M460-W501 HydrophobicContact CE-CG 4.37Å; M460-L504 HydrophobicContact SD-CD1 4.04Å
461A98.9Very high98.4Very high0 Ų015.1 Ų15.10%07%0.072CC..Hα-helixtrans-63-43.4177.300000112.4L416 A419 F423 L457 Q458 M459 Q464 A465L416-A461 HydrophobicContact CD1-CB 4.24Å; A419-A461 HydrophobicContact CB-CB 3.63Å; F423-A461 HydrophobicContact CD2-CB 3.79Å; F423-A461 HydrophobicContact CE2-CB 3.93Å; L457-A461 WeakPolarHBondContact O-CB 3.36Å; L457-A461 PolarHBondContact O-N 3.48Å; Q458-A461 PolarHBondContact O-N 2.92Å; M459-A461 VanDerWaalsContact C-N 3.34Å; M459-A461 PolarHBondContact O-N 2.82Å; A461-Q464 PolarHBondContact O-N 3.46Å; A461-A465 WeakPolarHBondContact O-CB 3.27Å; A461-A465 PolarHBondContact O-N 3.5Å
462C98.9Very high98.5Very high0 Ų012.7 Ų12.70%06%0.06CC..Hα-helixtrans-63.2-47.2177.3-71.50000111.7L284 Q458 M459 Q464 A465 K466 K467 L469L284-C462 HydrophobicContact CD1-CB 3.98Å; Q458-C462 WeakPolarHBondContact O-CB 3.38Å; Q458-C462 PolarHBondContact O-N 2.75Å; Q458-C462 PolarHBondContact O-SG 3.4Å; M459-C462 PolarHBondContact O-N 3.36Å; C462-Q464 PolarHBondContact O-N 3.32Å; C462-A465 CarbonylContact O-C 3.58Å; C462-A465 PolarHBondContact O-N 2.89Å; C462-K466 PolarHBondContact O-N 2.93Å; C462-K467 HydrophobicContact CB-CB 4.48Å; C462-K467 PolarHBondContact O-N 2.89Å; C462-L469 HydrophobicContact CB-CB 4.29Å
463L98.8Very high98.4Very high6 Ų612.1 Ų12.13%0.0316%0.057CC..Hα-helixtrans-59.7-47.4177.5176.552.1000111.1L279 F281 Q283 L284 M459 M460 A465 K466 V497L279-L463 HydrophobicContact CB-CD1 4.16Å; L279-L463 HydrophobicContact CB-CD2 4.38Å; L279-L463 HydrophobicContact CB-CG 4.02Å; F281-L463 HydrophobicContact CD1-CD2 4.42Å; F281-L463 HydrophobicContact CD2-CD2 3.83Å; F281-L463 HydrophobicContact CE2-CD2 4.08Å; F281-L463 HydrophobicContact CG-CD2 4.01Å; F281-L463 HydrophobicContact CZ-CD2 4.49Å; Q283-L463 HydrophobicContact CB-CD1 3.95Å; L284-L463 HydrophobicContact CB-CB 4.39Å; L284-L463 HydrophobicContact CB-CD1 4.23Å; L284-L463 HydrophobicContact CD1-CB 4.41Å; M459-L463 WeakPolarHBondContact O-CB 3.43Å; M459-L463 PolarHBondContact O-N 3.49Å; M460-L463 PolarHBondContact O-N 2.95Å; L463-A465 VanDerWaalsContact C-N 3.32Å; L463-A465 PolarHBondContact O-N 2.93Å; L463-K466 PolarHBondContact O-N 2.91Å; L463-V497 HydrophobicContact CB-CG2 4.22Å; L463-V497 HydrophobicContact CD2-CG2 3.48Å; L463-V497 VanDerWaalsContact CD2-CG2 3.48Å; L463-V497 HydrophobicContact CG-CG2 3.79Å
464Q98.7Very high98.2Very high32 Ų3216.8 Ų16.815%0.158%0.078CC..Hα-helixtrans-63-37.6177.6-171.66145.700112.6P272 W274 S277 Y420 M460 A461 C462 K466P272-Q464 HydrophobicContact CB-CG 4.22Å; P272-Q464 HydrophobicContact CG-CG 3.83Å; W274-Q464 HydrophobicContact CE3-CG 4.5Å; W274-Q464 HydrophobicContact CH2-CB 3.89Å; W274-Q464 HydrophobicContact CH2-CG 3.9Å; W274-Q464 HydrophobicContact CZ3-CB 3.58Å; W274-Q464 HydrophobicContact CZ3-CG 3.72Å; S277-Q464 VanDerWaalsContact CB-OE1 3.32Å; S277-Q464 PolarHBondContact OG-OE1 3.05Å; Y420-Q464 HydrophobicContact CD2-CB 4.1Å; Y420-Q464 HydrophobicContact CD2-CG 3.96Å; Y420-Q464 HydrophobicContact CE2-CB 4.03Å; Y420-Q464 HydrophobicContact CE2-CG 3.58Å; M460-Q464 VanDerWaalsContact O-CB 3.3Å; M460-Q464 WeakPolarHBondContact O-CB 3.46Å; M460-Q464 PolarHBondContact O-N 3.39Å; A461-Q464 PolarHBondContact O-N 3.46Å; C462-Q464 PolarHBondContact O-N 3.32Å; Q464-K466 PolarHBondContact O-N 3.39Å
465A98.3Very high98Very high6 Ų619.3 Ų19.35%0.0510%0.104CC..THydrogen-bonded Turntrans-78.7-1.1175.700000113.9Y420 F423 A461 C462 L463 K467Y420-A465 HydrophobicContact CD2-CB 4.15Å; Y420-A465 HydrophobicContact CE2-CB 4.06Å; F423-A465 HydrophobicContact CB-CB 3.7Å; A461-A465 WeakPolarHBondContact O-CB 3.27Å; A461-A465 PolarHBondContact O-N 3.5Å; C462-A465 CarbonylContact O-C 3.58Å; C462-A465 PolarHBondContact O-N 2.89Å; L463-A465 VanDerWaalsContact C-N 3.32Å; L463-A465 PolarHBondContact O-N 2.93Å; A465-K467 VanDerWaalsContact C-N 3.27Å; A465-K467 HydrophobicContact CB-CG 3.94Å; A465-K467 PolarHBondContact O-N 3.29Å
466K97.3Very high97.9Very high174 Ų17422.4 Ų22.476%0.75712%0.121SC*.THydrogen-bonded Turntrans55.741-175.2-55.3176-178.2172.30112.5C462 L463 Q464C462-K466 PolarHBondContact O-N 2.93Å; L463-K466 PolarHBondContact O-N 2.91Å; Q464-K466 PolarHBondContact O-N 3.39Å
467K97.8Very high97.8Very high10 Ų1027.6 Ų27.64%0.04314%0.143CC..  trans-109.2147.2175.5-57-59.3-174.7-177.40110.3L284 F423 D425 L433 P434 P435 V437 C462 A465L284-K467 WeakPolarHBondContact CD1-O 3.36Å; F423-K467 HydrophobicContact CB-CG 4.43Å; F423-K467 WeakPolarHBondContact O-CE 3.44Å; D425-K467 IonicContact OD1-NZ 2.74Å; D425-K467 PolarHBondContact OD1-NZ 3.49Å; D425-K467 IonicContact OD2-NZ 2.74Å; D425-K467 PolarHBondContact OD2-NZ 2.76Å; L433-K467 PolarHBondContact O-NZ 3.48Å; P434-K467 PolarHBondContact O-NZ 2.88Å; P435-K467 WeakPolarHBondContact O-CA 3.27Å; P435-K467 WeakPolarHBondContact O-CB 3.33Å; V437-K467 HydrophobicContact CG2-CB 3.83Å; V437-K467 HydrophobicContact CG2-CG 4.11Å; C462-K467 HydrophobicContact CB-CB 4.48Å; C462-K467 PolarHBondContact O-N 2.89Å; A465-K467 VanDerWaalsContact C-N 3.27Å; A465-K467 HydrophobicContact CB-CG 3.94Å; A465-K467 PolarHBondContact O-N 3.29Å
468S98.3Very high97.7Very high20 Ų2034.2 Ų34.214%0.1417%0.174CC..EExtended strand (participates in β ladder)trans-75.3151.3165.1-49.90000109.7R285 P435 V436 V437R285-S468 CarbonylContact O-C 3.53Å; R285-S468 WeakPolarHBondContact O-CA 3.39Å; P435-S468 PolarHBondContact O-N 2.89Å; V436-S468 WeakPolarHBondContact CA-O 3.22Å; V437-S468 PolarHBondContact N-O 3.2Å
469L98.8Very high97.7Very high0 Ų034.4 Ų34.40%018%0.175CC..EExtended strand (participates in β ladder)trans-110.5125.2178.6177.462.7000110.1L284 R285 L286 H287 T439 M459 C462 Y471L284-L469 HydrophobicContact CD1-CB 4.33Å; R285-L469 PolarHBondContact O-N 3.35Å; L286-L469 CarbonylContact C-O 3.54Å; L286-L469 WeakPolarHBondContact CA-O 3.39Å; L286-L469 HydrophobicContact CD1-CB 3.83Å; L286-L469 HydrophobicContact CD1-CD2 3.68Å; L286-L469 HydrophobicContact CD1-CG 3.78Å; H287-L469 PolarHBondContact N-O 2.96Å; T439-L469 HydrophobicContact CG2-CD1 3.42Å; T439-L469 VanDerWaalsContact CG2-CD1 3.42Å; M459-L469 HydrophobicContact CB-CD2 4.34Å; M459-L469 HydrophobicContact CG-CD2 3.53Å; C462-L469 HydrophobicContact CB-CB 4.29Å; L469-Y471 HydrophobicContact CD2-CD2 4.43Å
470A98.5Very high97.7Very high0 Ų034.4 Ų34.40%018%0.175CC..EExtended strand (participates in β ladder)trans-110103.716600000108.8L16 H287 V436 V437 A438 T439 F472L16-A470 HydrophobicContact CD1-CB 3.71Å; H287-A470 HydrophobicContact CB-CB 4.27Å; H287-A470 CarbonylContact O-C 3.28Å; H287-A470 VanDerWaalsContact O-CA 3.29Å; H287-A470 WeakPolarHBondContact O-CA 3.49Å; V436-A470 HydrophobicContact CG1-CB 3.76Å; V437-A470 PolarHBondContact O-N 3.01Å; A438-A470 CarbonylContact C-O 3.5Å; A438-A470 WeakPolarHBondContact CA-O 3.11Å; T439-A470 PolarHBondContact N-O 3.36Å; A470-F472 HydrophobicContact CB-CE2 4.32Å
471Y98.7Very high97.6Very high0 Ų037.2 Ų37.20%019%0.19CC..EExtended strand (participates in β ladder)trans-102.9120.8-175.2-163-73.4000111.2H287 V288 N289 T439 G440 N441 C455 L469 T473 F479 I483H287-Y471 PolarHBondContact O-N 3.1Å; V288-Y471 CarbonylContact C-O 3.49Å; V288-Y471 VanDerWaalsContact CA-O 3.31Å; V288-Y471 WeakPolarHBondContact CA-O 3.4Å; N289-Y471 PolarHBondContact N-O 3.34Å; T439-Y471 HydrophobicContact CG2-CD2 3.95Å; T439-Y471 HydrophobicContact CG2-CE2 4.45Å; G440-Y471 VanDerWaalsContact C-OH 3.23Å; G440-Y471 WeakPolarHBondContact O-CE2 3.45Å; G440-Y471 VanDerWaalsContact O-CZ 3.3Å; G440-Y471 PolarHBondContact O-OH 3.5Å; N441-Y471 WeakPolarHBondContact CA-OH 3.47Å; N441-Y471 PolarHBondContact N-OH 3.4Å; N441-Y471 WeakPolarHBondContact OD1-CE1 3.38Å; N441-Y471 PolarHBondContact OD1-OH 2.88Å; C455-Y471 HydrophobicContact CB-CE2 3.98Å; L469-Y471 HydrophobicContact CD2-CD2 4.43Å; Y471-T473 HydrophobicContact CD1-CG2 3.83Å; Y471-T473 HydrophobicContact CE1-CG2 3.94Å; Y471-F479 AromaticContact CE1-CE1 3.95Å; Y471-F479 HydrophobicContact CE1-CE1 3.95Å; Y471-I483 HydrophobicContact CD1-CD1 3.47Å; Y471-I483 VanDerWaalsContact CD1-CD1 3.47Å; Y471-I483 HydrophobicContact CE1-CD1 3.54Å; Y471-I483 HydrophobicContact CG-CD1 4.05Å
472F98Very high97.6Very high3 Ų340.6 Ų40.61%0.01320%0.203CC..EExtended strand (participates in β ladder)trans-99.9125.4177.7-63.2-86.1000110.9L16 N289 G292 S293 I294 A297 A438 T439 G440 A470 F474L16-F472 HydrophobicContact CD2-CZ 4.37Å; N289-F472 HydrophobicContact CB-CD1 3.87Å; N289-F472 HydrophobicContact CB-CE1 3.98Å; N289-F472 VanDerWaalsContact O-CA 3.31Å; N289-F472 WeakPolarHBondContact O-CA 3.25Å; G292-F472 WeakPolarHBondContact O-CD1 3.21Å; S293-F472 WeakPolarHBondContact O-CE1 3.29Å; S293-F472 WeakPolarHBondContact O-CZ 3.44Å; I294-F472 HydrophobicContact CB-CD2 4.48Å; I294-F472 HydrophobicContact CG1-CD2 3.85Å; A297-F472 HydrophobicContact CB-CE2 4.09Å; A297-F472 HydrophobicContact CB-CZ 4.06Å; A438-F472 HydrophobicContact CB-CE2 4.12Å; T439-F472 WeakPolarHBondContact O-CD2 3.39Å; T439-F472 PolarHBondContact O-N 3.07Å; G440-F472 VanDerWaalsContact CA-O 3.27Å; G440-F472 WeakPolarHBondContact CA-O 3.13Å; A470-F472 HydrophobicContact CB-CE2 4.32Å; F472-F474 HydrophobicContact CB-CE1 4.25Å; F472-F474 HydrophobicContact CB-CZ 4.36Å; F472-F474 WeakPolarHBondContact O-CE2 3.4Å
473T97.2Very high97.6Very high2 Ų240.6 Ų40.61%0.01220%0.203CC..  trans-101.46.4-177.9640000114V288 N289 A290 Y471 G475 D476 F479 C480 I483V288-T473 HydrophobicContact CG1-CG2 4.08Å; N289-T473 PolarHBondContact O-N 2.92Å; A290-T473 VanDerWaalsContact CA-OG1 3.29Å; A290-T473 WeakPolarHBondContact CA-OG1 3.4Å; A290-T473 WeakPolarHBondContact CB-OG1 3.13Å; Y471-T473 HydrophobicContact CD1-CG2 3.83Å; Y471-T473 HydrophobicContact CE1-CG2 3.94Å; T473-G475 PolarHBondContact O-N 3.15Å; T473-D476 WeakPolarHBondContact CB-O 2.9Å; T473-D476 WeakPolarHBondContact O-CB 3.44Å; T473-D476 PolarHBondContact O-N 2.99Å; T473-D476 VanDerWaalsContact O-N 3.16Å; T473-D476 PolarHBondContact OG1-O 3.05Å; T473-F479 HydrophobicContact CG2-CD1 3.79Å; T473-F479 HydrophobicContact CG2-CE1 4.49Å; T473-F479 HydrophobicContact CG2-CG 4.49Å; T473-C480 HydrophobicContact CG2-CB 4.16Å; T473-I483 HydrophobicContact CG2-CD1 3.79Å
474F93.3Very high97.6Very high98 Ų9844.3 Ų44.343%0.4322%0.217SC..THydrogen-bonded Turntrans52.747.7170-50.3-69.2000114.8I294 F306 N441 F472I294-F474 HydrophobicContact CD1-CZ 4.09Å; I294-F474 HydrophobicContact CG1-CZ 4.38Å; F306-F474 HydrophobicContact CE2-CE2 4.24Å; F306-F474 HydrophobicContact CE2-CZ 4.31Å; F306-F474 HydrophobicContact CZ-CE2 4.5Å; F306-F474 HydrophobicContact CZ-CZ 4.45Å; N441-F474 HydrophobicContact CB-CE2 4.46Å; F472-F474 HydrophobicContact CB-CE1 4.25Å; F472-F474 HydrophobicContact CB-CZ 4.36Å; F472-F474 WeakPolarHBondContact O-CE2 3.4Å
475G92.7Very high97.6Very high54 Ų5445.6 Ų45.656%0.55723%0.233SC*.THydrogen-bonded Turntrans100.2-16.2178.900000114.2A290 T473 K477A290-G475 WeakPolarHBondContact O-CA 3.08Å; A290-G475 PolarHBondContact O-N 2.85Å; T473-G475 PolarHBondContact O-N 3.15Å; G475-K477 PolarHBondContact O-N 2.95Å; G475-K477 VanDerWaalsContact O-N 3.1Å
476D96.4Very high97.6Very high66 Ų6645.6 Ų45.635%0.35323%0.232SC..  trans-81.692.1-178.1-167.4-19000111.7T473 E478 F479 C480T473-D476 WeakPolarHBondContact CB-O 2.9Å; T473-D476 WeakPolarHBondContact O-CB 3.44Å; T473-D476 PolarHBondContact O-N 2.99Å; T473-D476 VanDerWaalsContact O-N 3.16Å; T473-D476 PolarHBondContact OG1-O 3.05Å; D476-E478 PolarHBondContact OD1-N 2.84Å; D476-E478 VanDerWaalsContact OD1-N 3.15Å; D476-F479 HydrophobicContact CB-CB 4.08Å; D476-F479 WeakPolarHBondContact OD1-CB 3.44Å; D476-F479 PolarHBondContact OD1-N 2.94Å; D476-F479 WeakPolarHBondContact OD2-CB 3.46Å; D476-C480 WeakPolarHBondContact O-CB 3Å; D476-C480 PolarHBondContact O-N 2.57Å; D476-C480 VanDerWaalsContact O-N 3.1Å
477K97.2Very high97.7Very high108 Ų10838.7 Ų38.747%0.4720%0.202SC..Hα-helixtrans-69.5-34177.7-64.3-178.9-178.2176.80112.4Y10 A290 G475 C480 D481Y10-K477 HydrophobicContact CD1-CB 4.08Å; Y10-K477 HydrophobicContact CD1-CD 4.33Å; Y10-K477 HydrophobicContact CD1-CG 3.81Å; Y10-K477 HydrophobicContact CD2-CD 4.13Å; Y10-K477 HydrophobicContact CD2-CG 4.49Å; Y10-K477 HydrophobicContact CE1-CB 3.88Å; Y10-K477 HydrophobicContact CE1-CG 4.12Å; Y10-K477 HydrophobicContact CE2-CD 4.42Å; Y10-K477 HydrophobicContact CG-CD 4.08Å; Y10-K477 HydrophobicContact CG-CG 4.01Å; A290-K477 HydrophobicContact CB-CB 4.49Å; A290-K477 HydrophobicContact CB-CG 3.85Å; G475-K477 PolarHBondContact O-N 2.95Å; G475-K477 VanDerWaalsContact O-N 3.1Å; K477-C480 WeakPolarHBondContact O-CB 3.38Å; K477-C480 PolarHBondContact O-N 3.41Å; K477-D481 PolarHBondContact O-N 2.81Å
478E97.7Very high97.7Very high140 Ų14041.2 Ų41.265%0.65422%0.218SC*.Hα-helixtrans-66.1-48179.4-176.8-176.5160.300109.8D476 C480 D481 R482D476-E478 PolarHBondContact OD1-N 2.84Å; D476-E478 VanDerWaalsContact OD1-N 3.15Å; E478-C480 VanDerWaalsContact C-N 3.31Å; E478-C480 PolarHBondContact O-N 3.24Å; E478-D481 PolarHBondContact O-N 3.14Å; E478-D481 VanDerWaalsContact O-N 3.17Å; E478-R482 WeakPolarHBondContact O-CG 3.17Å; E478-R482 PolarHBondContact O-N 3.18Å
479F98Very high97.8Very high3 Ų341.7 Ų41.71%0.01322%0.218CC..Hα-helixtrans-64.7-37176.3-170.8-132.7000111.9I451 E452 C455 Y471 T473 D476 D481 R482 I483 F519I451-F479 HydrophobicContact CB-CE1 3.99Å; I451-F479 HydrophobicContact CB-CZ 3.82Å; I451-F479 HydrophobicContact CD1-CD1 4.14Å; I451-F479 HydrophobicContact CD1-CD2 4Å; I451-F479 HydrophobicContact CD1-CE1 4.04Å; I451-F479 HydrophobicContact CD1-CE2 3.93Å; I451-F479 HydrophobicContact CD1-CG 4.12Å; I451-F479 HydrophobicContact CD1-CZ 3.96Å; I451-F479 HydrophobicContact CG1-CE1 4.27Å; I451-F479 HydrophobicContact CG1-CE2 4.06Å; I451-F479 HydrophobicContact CG1-CZ 3.87Å; E452-F479 HydrophobicContact CG-CE2 3.99Å; C455-F479 HydrophobicContact CB-CZ 4.23Å; Y471-F479 AromaticContact CE1-CE1 3.95Å; Y471-F479 HydrophobicContact CE1-CE1 3.95Å; T473-F479 HydrophobicContact CG2-CD1 3.79Å; T473-F479 HydrophobicContact CG2-CE1 4.49Å; T473-F479 HydrophobicContact CG2-CG 4.49Å; D476-F479 HydrophobicContact CB-CB 4.08Å; D476-F479 WeakPolarHBondContact OD1-CB 3.44Å; D476-F479 PolarHBondContact OD1-N 2.94Å; D476-F479 WeakPolarHBondContact OD2-CB 3.46Å; F479-D481 VanDerWaalsContact C-N 3.3Å; F479-D481 PolarHBondContact O-N 2.78Å; F479-R482 PolarHBondContact O-N 3.45Å; F479-I483 HydrophobicContact CD1-CD1 3.84Å; F479-I483 HydrophobicContact CD1-CG1 4.35Å; F479-I483 HydrophobicContact CD2-CG1 4.14Å; F479-I483 HydrophobicContact CE1-CD1 3.58Å; F479-I483 HydrophobicContact CE1-CG1 4.1Å; F479-I483 HydrophobicContact CE2-CD1 4.27Å; F479-I483 HydrophobicContact CE2-CG1 3.85Å; F479-I483 HydrophobicContact CG-CD1 4.3Å; F479-I483 HydrophobicContact CG-CG1 4.37Å; F479-I483 HydrophobicContact CZ-CD1 3.79Å; F479-I483 HydrophobicContact CZ-CG1 3.83Å; F479-I483 VanDerWaalsContact O-CG1 3.27Å; F479-I483 WeakPolarHBondContact O-CG1 3.4Å; F479-I483 PolarHBondContact O-N 3.02Å; F479-F519 HydrophobicContact CD2-CE2 4.45Å; F479-F519 AromaticContact CE2-CE2 3.8Å; F479-F519 HydrophobicContact CE2-CE2 3.8Å; F479-F519 HydrophobicContact CE2-CZ 4.03Å
480C98.4Very high97.8Very high0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-54.6-46.4172177.10000111.8Y10 V288 A290 T473 D476 K477 E478 Y484Y10-C480 HydrophobicContact CD1-CB 4.47Å; Y10-C480 HydrophobicContact CE1-CB 4.27Å; V288-C480 HydrophobicContact CG1-CB 4.12Å; A290-C480 HydrophobicContact CB-CB 4.13Å; T473-C480 HydrophobicContact CG2-CB 4.16Å; D476-C480 WeakPolarHBondContact O-CB 3Å; D476-C480 PolarHBondContact O-N 2.57Å; D476-C480 VanDerWaalsContact O-N 3.1Å; K477-C480 WeakPolarHBondContact O-CB 3.38Å; K477-C480 PolarHBondContact O-N 3.41Å; E478-C480 VanDerWaalsContact C-N 3.31Å; E478-C480 PolarHBondContact O-N 3.24Å; C480-Y484 PolarHBondContact O-N 2.99Å
481D98.6Very high97.8Very high59 Ų5942.6 Ų42.632%0.31623%0.225SC..Hα-helixtrans-67.4-40.1177.8-69-24.1000112.2Y10 K12 K477 E478 F479 Y484 A485Y10-D481 PolarHBondContact OH-OD1 2.89Å; Y10-D481 PolarHBondContact OH-OD2 2.91Å; K12-D481 WeakPolarHBondContact CE-OD1 3.37Å; K12-D481 IonicContact NZ-OD1 3.71Å; K477-D481 PolarHBondContact O-N 2.81Å; E478-D481 PolarHBondContact O-N 3.14Å; E478-D481 VanDerWaalsContact O-N 3.17Å; F479-D481 VanDerWaalsContact C-N 3.3Å; F479-D481 PolarHBondContact O-N 2.78Å; D481-Y484 PolarHBondContact O-N 3.19Å; D481-A485 WeakPolarHBondContact O-CB 3.32Å; D481-A485 PolarHBondContact O-N 2.69Å
482R98.6Very high97.7Very high72 Ų7246.1 Ų46.127%0.27225%0.25SC..Hα-helixtrans-66.2-41.4178.5-69.8-177.470.6-137.6-5.7112.6E452 E478 F479 Y484 A485 M486 S517 F519E452-R482 IonicContact OE1-CZ 3.07Å; E452-R482 IonicContact OE1-NH1 3.71Å; E452-R482 PolarHBondContact OE1-NH1 3.4Å; E452-R482 IonicContact OE1-NH2 2.72Å; E452-R482 PolarHBondContact OE1-NH2 3.25Å; E452-R482 IonicContact OE2-NH2 2.69Å; E478-R482 WeakPolarHBondContact O-CG 3.17Å; E478-R482 PolarHBondContact O-N 3.18Å; F479-R482 PolarHBondContact O-N 3.45Å; R482-Y484 VanDerWaalsContact C-N 3.32Å; R482-Y484 PolarHBondContact O-N 2.68Å; R482-A485 PolarHBondContact O-N 3.16Å; R482-M486 WeakPolarHBondContact O-CB 3.39Å; R482-M486 PolarHBondContact O-N 2.55Å; R482-S517 PolarHBondContact NH2-OG 3Å; R482-F519 HydrophobicContact CB-CD2 4.19Å; R482-F519 HydrophobicContact CB-CE2 4.21Å
483I98.8Very high97.7Very high0 Ų051.2 Ų51.20%027%0.273CS..Hα-helixtrans-57.8-48.3172.4-69.1175000109.8L286 V288 M459 Y471 T473 F479 A485 M486 Y487 F519L286-I483 HydrophobicContact CD2-CG2 4.3Å; V288-I483 HydrophobicContact CG1-CB 4.15Å; V288-I483 HydrophobicContact CG1-CD1 3.99Å; V288-I483 HydrophobicContact CG1-CG2 4.08Å; V288-I483 HydrophobicContact CG2-CB 4.35Å; V288-I483 HydrophobicContact CG2-CG2 3.59Å; M459-I483 HydrophobicContact CE-CG2 3.36Å; Y471-I483 HydrophobicContact CD1-CD1 3.47Å; Y471-I483 VanDerWaalsContact CD1-CD1 3.47Å; Y471-I483 HydrophobicContact CE1-CD1 3.54Å; Y471-I483 HydrophobicContact CG-CD1 4.05Å; T473-I483 HydrophobicContact CG2-CD1 3.79Å; F479-I483 HydrophobicContact CD1-CD1 3.84Å; F479-I483 HydrophobicContact CD1-CG1 4.35Å; F479-I483 HydrophobicContact CD2-CG1 4.14Å; F479-I483 HydrophobicContact CE1-CD1 3.58Å; F479-I483 HydrophobicContact CE1-CG1 4.1Å; F479-I483 HydrophobicContact CE2-CD1 4.27Å; F479-I483 HydrophobicContact CE2-CG1 3.85Å; F479-I483 HydrophobicContact CG-CD1 4.3Å; F479-I483 HydrophobicContact CG-CG1 4.37Å; F479-I483 HydrophobicContact CZ-CD1 3.79Å; F479-I483 HydrophobicContact CZ-CG1 3.83Å; F479-I483 VanDerWaalsContact O-CG1 3.27Å; F479-I483 WeakPolarHBondContact O-CG1 3.4Å; F479-I483 PolarHBondContact O-N 3.02Å; I483-A485 PolarHBondContact O-N 3Å; I483-M486 PolarHBondContact O-N 2.66Å; I483-Y487 WeakPolarHBondContact O-CB 3.35Å; I483-Y487 PolarHBondContact O-N 3.49Å; I483-F519 HydrophobicContact CG1-CE2 4.2Å; I483-F519 HydrophobicContact CG1-CZ 4.17Å
484Y98.8Very high97.7Very high84 Ų8457.7 Ų57.733%0.32930%0.301SS..Hα-helixtrans-66.1-39.1-178.1-174.1-109.1000112.6K12 G13 C480 D481 R482 Y487 T488K12-Y484 HydrophobicContact CB-CD1 4.01Å; K12-Y484 HydrophobicContact CB-CD2 3.64Å; K12-Y484 HydrophobicContact CB-CE2 4.25Å; K12-Y484 HydrophobicContact CB-CG 3.5Å; K12-Y484 HydrophobicContact CD-CD1 4.4Å; K12-Y484 HydrophobicContact CG-CD1 4.28Å; K12-Y484 HydrophobicContact CG-CG 4.09Å; G13-Y484 VanDerWaalsContact CA-CE2 3.49Å; C480-Y484 PolarHBondContact O-N 2.99Å; D481-Y484 PolarHBondContact O-N 3.19Å; R482-Y484 VanDerWaalsContact C-N 3.32Å; R482-Y484 PolarHBondContact O-N 2.68Å; Y484-Y487 HydrophobicContact CD2-CD1 4.19Å; Y484-Y487 HydrophobicContact CE2-CD1 4.21Å; Y484-Y487 HydrophobicContact CE2-CE1 4.43Å; Y484-Y487 PolarHBondContact O-N 3.14Å; Y484-T488 WeakPolarHBondContact O-CB 3.06Å; Y484-T488 PolarHBondContact O-N 2.9Å; Y484-T488 PolarHBondContact O-OG1 3.34Å
485A98.6Very high98Very high59 Ų5953.3 Ų53.349%0.48828%0.283SS..Hα-helixtrans-62.5-45.4174.800000111.7D481 R482 I483 T488 L489D481-A485 WeakPolarHBondContact O-CB 3.32Å; D481-A485 PolarHBondContact O-N 2.69Å; R482-A485 PolarHBondContact O-N 3.16Å; I483-A485 PolarHBondContact O-N 3Å; A485-T488 PolarHBondContact O-N 3.21Å; A485-L489 PolarHBondContact O-N 3.06Å
486M98.7Very high98.3Very high5 Ų552.1 Ų52.13%0.02527%0.265CS..Hα-helixtrans-62.2-48175.8176.950.45700111.7I456 R482 I483 T488 L489 L490 F519 I522 S523I456-M486 HydrophobicContact CD1-CG 3.89Å; R482-M486 WeakPolarHBondContact O-CB 3.39Å; R482-M486 PolarHBondContact O-N 2.55Å; I483-M486 PolarHBondContact O-N 2.66Å; M486-T488 VanDerWaalsContact C-N 3.29Å; M486-T488 PolarHBondContact O-N 3.11Å; M486-L489 PolarHBondContact O-N 3.01Å; M486-L490 HydrophobicContact CG-CD1 4.08Å; M486-L490 HydrophobicContact CG-CG 4.46Å; M486-L490 WeakPolarHBondContact O-CG 3.29Å; M486-L490 PolarHBondContact O-N 3.3Å; M486-L490 HydrophobicContact SD-CD1 3.99Å; M486-L490 HydrophobicContact SD-CD2 4.27Å; M486-L490 HydrophobicContact SD-CG 3.85Å; M486-F519 HydrophobicContact CB-CD1 4.41Å; M486-F519 HydrophobicContact CB-CD2 4.2Å; M486-F519 HydrophobicContact CB-CE1 4.5Å; M486-F519 HydrophobicContact CB-CE2 4.29Å; M486-F519 HydrophobicContact CB-CG 4.27Å; M486-F519 HydrophobicContact CB-CZ 4.44Å; M486-F519 HydrophobicContact CE-CB 3.7Å; M486-F519 HydrophobicContact CE-CD1 4.29Å; M486-F519 HydrophobicContact CE-CG 4.05Å; M486-F519 WeakPolarHBondContact CE-O 3.45Å; M486-F519 HydrophobicContact CG-CD1 3.97Å; M486-F519 HydrophobicContact CG-CE1 4.11Å; M486-F519 HydrophobicContact CG-CG 4.25Å; M486-F519 HydrophobicContact CG-CZ 4.5Å; M486-I522 HydrophobicContact CE-CB 4.18Å; M486-I522 HydrophobicContact CE-CG2 4.16Å; M486-I522 HydrophobicContact SD-CB 4.38Å; M486-I522 HydrophobicContact SD-CG2 3.82Å; M486-S523 VanDerWaalsContact CE-OG 3.25Å; M486-S523 WeakPolarHBondContact CE-OG 3.45Å
487Y98.8Very high98.4Very high30 Ų3049 Ų4912%0.11825%0.248CC..Hα-helixtrans-57.1-42.5174.9163.5-102000112.4L284 L286 I483 Y484 L489 L490 S491L284-Y487 HydrophobicContact CB-CE2 4.25Å; L284-Y487 HydrophobicContact CD2-CD2 4.4Å; L284-Y487 HydrophobicContact CD2-CE2 4.41Å; L284-Y487 HydrophobicContact CG-CE2 4.4Å; L284-Y487 PolarHBondContact O-OH 3.38Å; L286-Y487 HydrophobicContact CB-CD1 4.25Å; L286-Y487 HydrophobicContact CB-CD2 4.07Å; L286-Y487 HydrophobicContact CB-CE1 4.12Å; L286-Y487 HydrophobicContact CB-CE2 3.93Å; L286-Y487 HydrophobicContact CB-CG 4.23Å; L286-Y487 VanDerWaalsContact CD2-CB 3.41Å; L286-Y487 HydrophobicContact CD2-CD1 3.63Å; L286-Y487 HydrophobicContact CD2-CD2 3.75Å; L286-Y487 HydrophobicContact CD2-CE1 4.33Å; L286-Y487 HydrophobicContact CD2-CE2 4.43Å; L286-Y487 HydrophobicContact CD2-CG 3.28Å; L286-Y487 HydrophobicContact CG-CG 4.38Å; I483-Y487 WeakPolarHBondContact O-CB 3.35Å; I483-Y487 PolarHBondContact O-N 3.49Å; Y484-Y487 HydrophobicContact CD2-CD1 4.19Å; Y484-Y487 HydrophobicContact CE2-CD1 4.21Å; Y484-Y487 HydrophobicContact CE2-CE1 4.43Å; Y484-Y487 PolarHBondContact O-N 3.14Å; Y487-L489 PolarHBondContact O-N 3.23Å; Y487-L490 PolarHBondContact O-N 3.02Å; Y487-S491 WeakPolarHBondContact CE2-OG 3.31Å; Y487-S491 VanDerWaalsContact O-CB 3.29Å; Y487-S491 WeakPolarHBondContact O-CB 3.19Å; Y487-S491 PolarHBondContact O-N 2.92Å; Y487-S491 PolarHBondContact O-OG 3.21Å
488T98.6Very high98.5Very high62 Ų6244 Ų4438%0.3823%0.227SC..Hα-helixtrans-62.1-44.1178.1-59.10000111Y484 A485 M486 S491 S492Y484-T488 WeakPolarHBondContact O-CB 3.06Å; Y484-T488 PolarHBondContact O-N 2.9Å; Y484-T488 PolarHBondContact O-OG1 3.34Å; A485-T488 PolarHBondContact O-N 3.21Å; M486-T488 VanDerWaalsContact C-N 3.29Å; M486-T488 PolarHBondContact O-N 3.11Å; T488-S491 PolarHBondContact O-N 2.85Å; T488-S492 WeakPolarHBondContact O-CB 3.1Å; T488-S492 PolarHBondContact O-N 3.05Å; T488-S492 PolarHBondContact O-OG 2.92Å
489L98.7Very high98.5Very high30 Ų3041.9 Ų41.916%0.15721%0.213CC..Hα-helixtrans-62-49.9176.2177.565.1000111.8A485 M486 Y487 S491 S492 E493 L526A485-L489 PolarHBondContact O-N 3.06Å; M486-L489 PolarHBondContact O-N 3.01Å; Y487-L489 PolarHBondContact O-N 3.23Å; L489-S491 PolarHBondContact O-N 2.93Å; L489-S492 PolarHBondContact O-N 2.76Å; L489-S492 PolarHBondContact O-OG 3.41Å; L489-S492 VanDerWaalsContact O-OG 3.11Å; L489-E493 HydrophobicContact CD1-CG 3.91Å; L489-E493 WeakPolarHBondContact O-CB 3.25Å; L489-E493 WeakPolarHBondContact O-CG 3.45Å; L489-E493 PolarHBondContact O-N 3.39Å; L489-L526 HydrophobicContact CD2-CD1 4.14Å; L489-L526 HydrophobicContact CG-CD1 4.2Å
490L98.8Very high98.5Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-59.2-38.5178.9-67172.8000111.7F281 I456 M486 Y487 K494 V495 L500 I522 L526F281-L490 HydrophobicContact CB-CB 3.73Å; F281-L490 HydrophobicContact CD1-CB 3.92Å; F281-L490 HydrophobicContact CD1-CD1 3.77Å; F281-L490 HydrophobicContact CD1-CG 4.48Å; F281-L490 HydrophobicContact CD2-CB 4.31Å; F281-L490 HydrophobicContact CE1-CD1 3.66Å; F281-L490 HydrophobicContact CG-CB 3.74Å; F281-L490 HydrophobicContact CG-CD1 4.24Å; F281-L490 HydrophobicContact CZ-CD1 4.09Å; I456-L490 HydrophobicContact CD1-CD1 4.25Å; M486-L490 HydrophobicContact CG-CD1 4.08Å; M486-L490 HydrophobicContact CG-CG 4.46Å; M486-L490 WeakPolarHBondContact O-CG 3.29Å; M486-L490 PolarHBondContact O-N 3.3Å; M486-L490 HydrophobicContact SD-CD1 3.99Å; M486-L490 HydrophobicContact SD-CD2 4.27Å; M486-L490 HydrophobicContact SD-CG 3.85Å; Y487-L490 PolarHBondContact O-N 3.02Å; L490-K494 PolarHBondContact O-N 3.28Å; L490-V495 HydrophobicContact CB-CB 4.46Å; L490-V495 HydrophobicContact CD2-CB 3.93Å; L490-V495 HydrophobicContact CD2-CG1 4Å; L490-V495 HydrophobicContact CD2-CG2 3.92Å; L490-V495 PolarHBondContact O-N 2.93Å; L490-L500 HydrophobicContact CD1-CD2 4.05Å; L490-L500 HydrophobicContact CD2-CD1 4.16Å; L490-L500 HydrophobicContact CD2-CD2 4.2Å; L490-I522 HydrophobicContact CD2-CG2 4.14Å; L490-L526 HydrophobicContact CD2-CD1 3.78Å
491S98.4Very high98.5Very high19 Ų1942.3 Ų42.313%0.13321%0.214CC..Hα-helixtrans-71.9-45.6179-57.80000112.2F281 Y487 T488 L489 E493 K494F281-S491 PolarHBondContact O-OG 2.88Å; Y487-S491 WeakPolarHBondContact CE2-OG 3.31Å; Y487-S491 VanDerWaalsContact O-CB 3.29Å; Y487-S491 WeakPolarHBondContact O-CB 3.19Å; Y487-S491 PolarHBondContact O-N 2.92Å; Y487-S491 PolarHBondContact O-OG 3.21Å; T488-S491 PolarHBondContact O-N 2.85Å; L489-S491 PolarHBondContact O-N 2.93Å; S491-E493 PolarHBondContact O-N 3.03Å; S491-K494 PolarHBondContact O-N 3.48Å; S491-K494 VanDerWaalsContact O-N 3.14Å
492S97.9Very high98.5Very high75 Ų7542.8 Ų42.852%0.52422%0.215SC..Hα-helixtrans-65.4-40-178.8650000112.1T488 L489 K494T488-S492 WeakPolarHBondContact O-CB 3.1Å; T488-S492 PolarHBondContact O-N 3.05Å; T488-S492 PolarHBondContact O-OG 2.92Å; L489-S492 PolarHBondContact O-N 2.76Å; L489-S492 PolarHBondContact O-OG 3.41Å; L489-S492 VanDerWaalsContact O-OG 3.11Å; S492-K494 PolarHBondContact O-N 3.01Å
493E97.9Very high98.4Very high109 Ų10939.4 Ų39.451%0.50920%0.202SC..THydrogen-bonded Turntrans-81.22.4177.2-61.1-50.7130.100113.2L489 S491 V495L489-E493 HydrophobicContact CD1-CG 3.91Å; L489-E493 WeakPolarHBondContact O-CB 3.25Å; L489-E493 WeakPolarHBondContact O-CG 3.45Å; L489-E493 PolarHBondContact O-N 3.39Å; S491-E493 PolarHBondContact O-N 3.03Å; E493-V495 HydrophobicContact CB-CG2 3.87Å; E493-V495 PolarHBondContact O-N 3.12Å; E493-V495 VanDerWaalsContact O-N 3.14Å
494K97.6Very high98.3Very high138 Ų13839.4 Ų39.460%0.620%0.202SC*.THydrogen-bonded Turntrans47.941.9-177-60.1-169.8176-168.80112.6T280 L490 S491 S492 T496T280-K494 HydrophobicContact CG2-CB 4.33Å; T280-K494 WeakPolarHBondContact CG2-O 3.16Å; L490-K494 PolarHBondContact O-N 3.28Å; S491-K494 PolarHBondContact O-N 3.48Å; S491-K494 VanDerWaalsContact O-N 3.14Å; S492-K494 PolarHBondContact O-N 3.01Å; K494-T496 PolarHBondContact O-N 3.44Å
495V98.7Very high98.1Very high7 Ų737.8 Ų37.84%0.04220%0.199CC..  trans-61.1133.9179.7-177.40000108.1T280 F281 L490 E493 R499 L500 L526T280-V495 VanDerWaalsContact CA-O 3.32Å; T280-V495 WeakPolarHBondContact CA-O 3.22Å; F281-V495 WeakPolarHBondContact CD2-O 3.26Å; F281-V495 PolarHBondContact N-O 2.69Å; L490-V495 HydrophobicContact CB-CB 4.46Å; L490-V495 HydrophobicContact CD2-CB 3.93Å; L490-V495 HydrophobicContact CD2-CG1 4Å; L490-V495 HydrophobicContact CD2-CG2 3.92Å; L490-V495 PolarHBondContact O-N 2.93Å; E493-V495 HydrophobicContact CB-CG2 3.87Å; E493-V495 PolarHBondContact O-N 3.12Å; E493-V495 VanDerWaalsContact O-N 3.14Å; V495-R499 HydrophobicContact CG1-CB 4.25Å; V495-R499 HydrophobicContact CG1-CG 4.33Å; V495-L500 HydrophobicContact CG1-CB 4.06Å; V495-L526 HydrophobicContact CG2-CD1 3.8Å; V495-L526 HydrophobicContact CG2-CD2 3.65Å; V495-L526 HydrophobicContact CG2-CG 4.39Å
496T98.8Very high97.9Very high29 Ų2940.4 Ų40.418%0.17820%0.201CC..BIsolated β-bridgetrans-86.5152.7174.4590000110.7L279 T280 K494 G498 R499 L500L279-T496 CarbonylContact O-C 3.45Å; L279-T496 WeakPolarHBondContact O-CA 3.39Å; T280-T496 HydrophobicContact CG2-CG2 3.74Å; K494-T496 PolarHBondContact O-N 3.44Å; T496-G498 PolarHBondContact O-N 3.18Å; T496-R499 PolarHBondContact O-N 3.3Å; T496-R499 VanDerWaalsContact O-N 3.07Å; T496-R499 VanDerWaalsContact OG1-CB 3.28Å; T496-R499 WeakPolarHBondContact OG1-CB 3.32Å; T496-R499 PolarHBondContact OG1-N 3.31Å; T496-L500 PolarHBondContact O-N 3.42Å
497V98.8Very high97.5Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-51.3-42.6169.7173.40000110.9W274 L279 F281 M460 L463 L500 W501W274-V497 HydrophobicContact CE3-CG1 3.58Å; W274-V497 HydrophobicContact CZ3-CG1 3.91Å; L279-V497 HydrophobicContact CB-CG2 4.34Å; L279-V497 PolarHBondContact O-N 3.27Å; F281-V497 HydrophobicContact CE2-CG2 4.32Å; M460-V497 HydrophobicContact CB-CG1 4.27Å; M460-V497 HydrophobicContact CE-CG1 3.93Å; M460-V497 HydrophobicContact CG-CG1 4.46Å; L463-V497 HydrophobicContact CB-CG2 4.22Å; L463-V497 HydrophobicContact CD2-CG2 3.48Å; L463-V497 VanDerWaalsContact CD2-CG2 3.48Å; L463-V497 HydrophobicContact CG-CG2 3.79Å; V497-L500 PolarHBondContact O-N 3.26Å; V497-W501 WeakPolarHBondContact O-CB 3.17Å; V497-W501 PolarHBondContact O-N 3.35Å
498G98.8Very high96.8Very high2 Ų239.7 Ų39.72%0.02120%0.199CC..Hα-helixtrans-66.6-37.917800000114.1W274 S277 T496 W501 Q502W274-G498 WeakPolarHBondContact O-CA 3.45Å; S277-G498 PolarHBondContact O-N 3.16Å; S277-G498 VanDerWaalsContact O-N 3.14Å; T496-G498 PolarHBondContact O-N 3.18Å; G498-W501 PolarHBondContact O-N 3.09Å; G498-Q502 VanDerWaalsContact O-CG 3.3Å; G498-Q502 WeakPolarHBondContact O-CG 3.12Å; G498-Q502 PolarHBondContact O-N 3.36Å
499R98.4Very high95.6Very high96 Ų9642.8 Ų42.836%0.36221%0.21SC..Hα-helixtrans-66.7-42.4174.3-18056.6-179.61594.3111.5V495 T496 W501 Q502 I503V495-R499 HydrophobicContact CG1-CB 4.25Å; V495-R499 HydrophobicContact CG1-CG 4.33Å; T496-R499 PolarHBondContact O-N 3.3Å; T496-R499 VanDerWaalsContact O-N 3.07Å; T496-R499 VanDerWaalsContact OG1-CB 3.28Å; T496-R499 WeakPolarHBondContact OG1-CB 3.32Å; T496-R499 PolarHBondContact OG1-N 3.31Å; R499-W501 VanDerWaalsContact C-N 3.34Å; R499-Q502 WeakPolarHBondContact O-CB 3.3Å; R499-Q502 PolarHBondContact O-N 3.34Å; R499-I503 HydrophobicContact CG-CD1 4.29Å; R499-I503 WeakPolarHBondContact O-CG1 3.46Å; R499-I503 PolarHBondContact O-N 3.14Å
500L98.6Very high94.3Very high0 Ų050.1 Ų50.10%024%0.235CC..Hα-helixtrans-65.1-40.7178.1-172.455.8000111.5F281 I456 M460 L490 V495 T496 V497 Q502 I503 L504 I522F281-L500 HydrophobicContact CE1-CD2 4.34Å; F281-L500 HydrophobicContact CE2-CB 4.38Å; F281-L500 HydrophobicContact CE2-CD2 3.59Å; F281-L500 HydrophobicContact CZ-CD2 3.39Å; I456-L500 HydrophobicContact CG2-CD2 3.65Å; I456-L500 HydrophobicContact CG2-CG 4.1Å; M460-L500 HydrophobicContact CG-CD2 3.95Å; M460-L500 HydrophobicContact SD-CD2 4.04Å; M460-L500 HydrophobicContact SD-CG 4.11Å; L490-L500 HydrophobicContact CD1-CD2 4.05Å; L490-L500 HydrophobicContact CD2-CD1 4.16Å; L490-L500 HydrophobicContact CD2-CD2 4.2Å; V495-L500 HydrophobicContact CG1-CB 4.06Å; T496-L500 PolarHBondContact O-N 3.42Å; V497-L500 PolarHBondContact O-N 3.26Å; L500-Q502 PolarHBondContact O-N 3.14Å; L500-I503 WeakPolarHBondContact O-CB 3.09Å; L500-I503 PolarHBondContact O-N 2.93Å; L500-L504 WeakPolarHBondContact O-CG 3.28Å; L500-L504 PolarHBondContact O-N 3.06Å; L500-I522 HydrophobicContact CD1-CD1 3.9Å; L500-I522 HydrophobicContact CD1-CG1 4.09Å; L500-I522 HydrophobicContact CD1-CG2 4.04Å
501W98.6Very high93.1Very high12 Ų1252.1 Ų52.15%0.04525%0.246CC..Hα-helixtrans-59.8-44.7173.3-176.7-120.9000112.2W274 V409 M412 L413 L416 L457 M460 V497 G498 R499 I503 L504 I505W274-W501 HydrophobicContact CB-CB 4.21Å; W274-W501 HydrophobicContact CB-CD2 4.21Å; W274-W501 HydrophobicContact CB-CG 3.7Å; V409-W501 HydrophobicContact CG1-CZ2 4.21Å; M412-W501 HydrophobicContact CB-CH2 3.81Å; M412-W501 HydrophobicContact CB-CZ3 3.82Å; L413-W501 HydrophobicContact CB-CH2 3.99Å; L413-W501 HydrophobicContact CB-CZ2 4.1Å; L413-W501 HydrophobicContact CD1-CZ2 4.14Å; L416-W501 HydrophobicContact CD2-CD2 4.31Å; L416-W501 HydrophobicContact CD2-CE3 3.83Å; L416-W501 HydrophobicContact CD2-CZ3 4.01Å; L457-W501 HydrophobicContact CD2-CZ3 4.35Å; M460-W501 HydrophobicContact CE-CB 3.67Å; M460-W501 HydrophobicContact CE-CD2 4.47Å; M460-W501 HydrophobicContact CE-CE3 4.06Å; M460-W501 HydrophobicContact CE-CG 4.37Å; V497-W501 WeakPolarHBondContact O-CB 3.17Å; V497-W501 PolarHBondContact O-N 3.35Å; G498-W501 PolarHBondContact O-N 3.09Å; R499-W501 VanDerWaalsContact C-N 3.34Å; W501-I503 VanDerWaalsContact C-N 3.33Å; W501-I503 PolarHBondContact O-N 3.35Å; W501-L504 HydrophobicContact CE3-CB 4.42Å; W501-L504 HydrophobicContact CE3-CD1 4.21Å; W501-L504 HydrophobicContact CZ3-CD1 4.5Å; W501-L504 PolarHBondContact O-N 3.41Å; W501-I505 HydrophobicContact CD2-CG2 3.87Å; W501-I505 VanDerWaalsContact CE2-CG2 3.43Å; W501-I505 HydrophobicContact CE3-CG2 4.2Å; W501-I505 HydrophobicContact CH2-CG2 3.75Å; W501-I505 HydrophobicContact CZ2-CG2 3.38Å; W501-I505 HydrophobicContact CZ3-CG2 4.15Å; W501-I505 WeakPolarHBondContact O-CG1 3.49Å; W501-I505 PolarHBondContact O-N 2.94Å
502Q97.6Very high92Very high70 Ų7051.2 Ų51.233%0.32724%0.239SC..Hα-helixtrans-57.2-45.3174.6-76.5173.3-11.400112.1G498 R499 L500 L504 I505 E506G498-Q502 VanDerWaalsContact O-CG 3.3Å; G498-Q502 WeakPolarHBondContact O-CG 3.12Å; G498-Q502 PolarHBondContact O-N 3.36Å; R499-Q502 WeakPolarHBondContact O-CB 3.3Å; R499-Q502 PolarHBondContact O-N 3.34Å; L500-Q502 PolarHBondContact O-N 3.14Å; Q502-L504 VanDerWaalsContact C-N 3.32Å; Q502-L504 PolarHBondContact O-N 3.13Å; Q502-I505 WeakPolarHBondContact O-CG1 3.46Å; Q502-I505 PolarHBondContact O-N 3.24Å; Q502-E506 WeakPolarHBondContact O-CB 3.01Å; Q502-E506 VanDerWaalsContact O-CG 3.24Å; Q502-E506 WeakPolarHBondContact O-CG 3.45Å; Q502-E506 PolarHBondContact O-N 2.69Å
503I96.5Very high90.5Very high1 Ų151.1 Ų51.11%0.00523%0.231CC..Hα-helixtrans-58-45.6176.2-69169.1000110.6R499 L500 W501 N507 I522 I525 L526R499-I503 HydrophobicContact CG-CD1 4.29Å; R499-I503 WeakPolarHBondContact O-CG1 3.46Å; R499-I503 PolarHBondContact O-N 3.14Å; L500-I503 WeakPolarHBondContact O-CB 3.09Å; L500-I503 PolarHBondContact O-N 2.93Å; W501-I503 VanDerWaalsContact C-N 3.33Å; W501-I503 PolarHBondContact O-N 3.35Å; I503-N507 PolarHBondContact O-N 3.31Å; I503-N507 PolarHBondContact O-ND2 3.49Å; I503-I522 HydrophobicContact CG2-CG1 4.31Å; I503-I525 HydrophobicContact CD1-CG2 3.92Å; I503-I525 HydrophobicContact CG1-CG2 3.98Å; I503-I525 HydrophobicContact CG2-CD1 3.72Å; I503-I525 HydrophobicContact CG2-CG2 4.45Å; I503-L526 HydrophobicContact CD1-CD2 3.96Å; I503-L526 HydrophobicContact CD1-CG 4.49Å
504L96.5Very high89.1Confident0 Ų052.5 Ų52.50%024%0.236CC..Hα-helixtrans-63.4-48.5179.5-66.7175.1000112.1M412 L453 I456 L457 M460 L500 W501 Q502 N507 A508 L512 V518 I522M412-L504 HydrophobicContact CE-CB 4.14Å; M412-L504 HydrophobicContact SD-CB 4.12Å; L453-L504 HydrophobicContact CD1-CD2 4.26Å; I456-L504 HydrophobicContact CG2-CD1 3.99Å; L457-L504 HydrophobicContact CD2-CD1 3.9Å; M460-L504 HydrophobicContact SD-CD1 4.04Å; L500-L504 WeakPolarHBondContact O-CG 3.28Å; L500-L504 PolarHBondContact O-N 3.06Å; W501-L504 HydrophobicContact CE3-CB 4.42Å; W501-L504 HydrophobicContact CE3-CD1 4.21Å; W501-L504 HydrophobicContact CZ3-CD1 4.5Å; W501-L504 PolarHBondContact O-N 3.41Å; Q502-L504 VanDerWaalsContact C-N 3.32Å; Q502-L504 PolarHBondContact O-N 3.13Å; L504-N507 CarbonylContact O-C 3.45Å; L504-N507 PolarHBondContact O-N 3.35Å; L504-A508 PolarHBondContact O-N 3.25Å; L504-L512 HydrophobicContact CD2-CD1 4.47Å; L504-V518 HydrophobicContact CD2-CG1 4.18Å; L504-I522 HydrophobicContact CD2-CD1 4.46Å
505I95.3Very high87.6Confident50 Ų5052 Ų5226%0.25624%0.24SC..Hα-helixtrans-71.7-32.1-175.566.9-178.9000113.4V409 M412 W501 Q502 N507 A508V409-I505 HydrophobicContact CB-CG2 4.47Å; V409-I505 HydrophobicContact CG1-CB 4.38Å; V409-I505 HydrophobicContact CG1-CG2 3.78Å; V409-I505 HydrophobicContact CG2-CB 3.93Å; V409-I505 HydrophobicContact CG2-CG2 4.05Å; M412-I505 HydrophobicContact CE-CG2 4.43Å; W501-I505 HydrophobicContact CD2-CG2 3.87Å; W501-I505 VanDerWaalsContact CE2-CG2 3.43Å; W501-I505 HydrophobicContact CE3-CG2 4.2Å; W501-I505 HydrophobicContact CH2-CG2 3.75Å; W501-I505 HydrophobicContact CZ2-CG2 3.38Å; W501-I505 HydrophobicContact CZ3-CG2 4.15Å; W501-I505 WeakPolarHBondContact O-CG1 3.49Å; W501-I505 PolarHBondContact O-N 2.94Å; Q502-I505 WeakPolarHBondContact O-CG1 3.46Å; Q502-I505 PolarHBondContact O-N 3.24Å; I505-N507 PolarHBondContact O-N 3.02Å; I505-A508 WeakPolarHBondContact O-CB 3.36Å
506E93.2Very high86.6Confident114 Ų11454.1 Ų54.153%0.53325%0.249SC..Hα-helixtrans-67-20.6175.5-73.4171-179.500111.9Q502Q502-E506 WeakPolarHBondContact O-CB 3.01Å; Q502-E506 VanDerWaalsContact O-CG 3.24Å; Q502-E506 WeakPolarHBondContact O-CG 3.45Å; Q502-E506 PolarHBondContact O-N 2.69Å
507N91.1Very high86.2Confident18 Ų1853.9 Ų53.910%0.09625%0.249CC..Hα-helixtrans-114.9-2-176.3-65.4-76.6000114.6I503 L504 I505 E509 R510 D511 L512 L521 I525I503-N507 PolarHBondContact O-N 3.31Å; I503-N507 PolarHBondContact O-ND2 3.49Å; L504-N507 CarbonylContact O-C 3.45Å; L504-N507 PolarHBondContact O-N 3.35Å; I505-N507 PolarHBondContact O-N 3.02Å; N507-E509 PolarHBondContact O-N 2.92Å; N507-R510 PolarHBondContact O-N 3.07Å; N507-D511 HydrophobicContact CB-CB 4.48Å; N507-D511 PolarHBondContact O-N 3.24Å; N507-D511 PolarHBondContact OD1-OD2 2.99Å; N507-D511 VanDerWaalsContact OD1-OD2 3.13Å; N507-L512 HydrophobicContact CB-CD1 4.44Å; N507-L512 HydrophobicContact CB-CG 4.3Å; N507-L512 PolarHBondContact O-N 3.43Å; N507-L521 HydrophobicContact CB-CD2 3.8Å; N507-I525 WeakPolarHBondContact ND2-CD1 3.37Å
508A84.2Confident86.1Confident2 Ų253.9 Ų53.92%0.01725%0.249CC..THydrogen-bonded Turntrans-43.6-36-176.900000114.9Y407 V409 M412 L504 I505Y407-A508 CarbonylContact C-O 3.54Å; Y407-A508 WeakPolarHBondContact CB-O 3.47Å; Y407-A508 CarbonylContact O-C 3.53Å; Y407-A508 VanDerWaalsContact O-CA 3.22Å; Y407-A508 WeakPolarHBondContact O-CA 3.43Å; Y407-A508 WeakPolarHBondContact O-CB 3.45Å; Y407-A508 VanDerWaalsContact O-O 3.07Å; V409-A508 HydrophobicContact CG2-CB 3.59Å; M412-A508 HydrophobicContact CE-CB 3.79Å; L504-A508 PolarHBondContact O-N 3.25Å; I505-A508 WeakPolarHBondContact O-CB 3.36Å
509E72.6Confident86Confident127 Ų12754 Ų5459%0.59325%0.249SC*.THydrogen-bonded Turntrans-125.93.1-172.8-60.4177.2-179.700113.6N507 M513N507-E509 PolarHBondContact O-N 2.92Å; E509-M513 VanDerWaalsContact CA-CE 3.44Å; E509-M513 HydrophobicContact CB-CE 3.59Å; E509-M513 HydrophobicContact CG-CE 3.83Å
510R72.2Confident85.8Confident184 Ų18453.4 Ų53.469%0.69425%0.252SS*.THydrogen-bonded Turntrans-110.9-65.6-174.4-68-178.7179.9-1762.1111.5N507 K514N507-R510 PolarHBondContact O-N 3.07Å; R510-K514 WeakPolarHBondContact O-CD 3.32Å; R510-K514 WeakPolarHBondContact O-CE 3.48Å; R510-K514 WeakPolarHBondContact O-CG 3.33Å
511D74.3Confident85.6Confident41 Ų4153.7 Ų53.722%0.21925%0.254CS..THydrogen-bonded Turntrans-102.9-34-169.4-62.5-47.3000111.4N507 M513 K514 L521N507-D511 HydrophobicContact CB-CB 4.48Å; N507-D511 PolarHBondContact O-N 3.24Å; N507-D511 PolarHBondContact OD1-OD2 2.99Å; N507-D511 VanDerWaalsContact OD1-OD2 3.13Å; D511-M513 VanDerWaalsContact C-N 3.29Å; D511-M513 PolarHBondContact O-N 3.04Å; D511-K514 WeakPolarHBondContact O-CB 3.24Å; D511-K514 PolarHBondContact O-N 3.48Å; D511-K514 VanDerWaalsContact O-N 3.09Å; D511-K514 IonicContact OD1-NZ 2.72Å; D511-K514 PolarHBondContact OD1-NZ 3.01Å; D511-L521 HydrophobicContact CB-CD1 3.84Å; D511-L521 HydrophobicContact CB-CD2 4.31Å
512L73.8Confident85.5Confident0 Ų053.1 Ų53.10%025%0.252CS..G310 helixtrans-62.8-35.6174-70.8173.6000112.4Y407 M412 L504 N507 K514 V518 L521Y407-L512 HydrophobicContact CD1-CB 3.66Å; Y407-L512 HydrophobicContact CD1-CD1 4.17Å; Y407-L512 HydrophobicContact CD1-CD2 4.34Å; Y407-L512 HydrophobicContact CD1-CG 4.28Å; Y407-L512 HydrophobicContact CD2-CB 4.41Å; Y407-L512 HydrophobicContact CE1-CB 4.22Å; Y407-L512 HydrophobicContact CE1-CD2 4.42Å; Y407-L512 WeakPolarHBondContact CE2-O 3.33Å; Y407-L512 HydrophobicContact CG-CB 3.77Å; M412-L512 HydrophobicContact SD-CD1 4.32Å; L504-L512 HydrophobicContact CD2-CD1 4.47Å; N507-L512 HydrophobicContact CB-CD1 4.44Å; N507-L512 HydrophobicContact CB-CG 4.3Å; N507-L512 PolarHBondContact O-N 3.43Å; L512-K514 VanDerWaalsContact C-N 3.28Å; L512-K514 PolarHBondContact O-N 3.29Å; L512-V518 HydrophobicContact CD2-CB 4.24Å; L512-V518 HydrophobicContact CD2-CG1 4.05Å; L512-V518 HydrophobicContact CD2-CG2 3.78Å; L512-L521 HydrophobicContact CD2-CD2 3.52Å; L512-L521 HydrophobicContact CG-CD2 3.73Å
513M66.7Low85.4Confident73 Ų7350.9 Ų50.936%0.3624%0.244SC..G310 helixtrans-75.1-8.9176.2-74.1-149.2-10700114.5M404 Y407 E509 D511 N515M404-M513 HydrophobicContact CB-CG 4.43Å; M404-M513 HydrophobicContact CB-SD 4.07Å; Y407-M513 HydrophobicContact CD2-CG 4.21Å; E509-M513 VanDerWaalsContact CA-CE 3.44Å; E509-M513 HydrophobicContact CB-CE 3.59Å; E509-M513 HydrophobicContact CG-CE 3.83Å; D511-M513 VanDerWaalsContact C-N 3.29Å; D511-M513 PolarHBondContact O-N 3.04Å; M513-N515 PolarHBondContact O-N 2.96Å
514K69.2Low85.3Confident139 Ų13956.5 Ų56.560%0.60427%0.27SS*.G310 helixtrans-83.114.7179.6-71.3172.3-171.8160.10113.7R510 D511 L512 Q516R510-K514 WeakPolarHBondContact O-CD 3.32Å; R510-K514 WeakPolarHBondContact O-CE 3.48Å; R510-K514 WeakPolarHBondContact O-CG 3.33Å; D511-K514 WeakPolarHBondContact O-CB 3.24Å; D511-K514 PolarHBondContact O-N 3.48Å; D511-K514 VanDerWaalsContact O-N 3.09Å; D511-K514 IonicContact OD1-NZ 2.72Å; D511-K514 PolarHBondContact OD1-NZ 3.01Å; L512-K514 VanDerWaalsContact C-N 3.28Å; L512-K514 PolarHBondContact O-N 3.29Å; K514-Q516 PolarHBondContact O-N 3.37Å
515N66.5Low85.2Confident127 Ų12759.4 Ų59.468%0.67929%0.285SS*.THydrogen-bonded Turntrans57.226.9-172.6-63.6-45.2000113.6M404 M513M404-N515 WeakPolarHBondContact CE-OD1 3.29Å; M513-N515 PolarHBondContact O-N 2.96Å
516Q76.8Confident85.2Confident51 Ų5158.8 Ų58.824%0.23828%0.282CS..  trans-78.3142.8169.9-173.5173.4-7.200109K514 V518 Q524K514-Q516 PolarHBondContact O-N 3.37Å; Q516-V518 PolarHBondContact O-N 3.17Å; Q516-Q524 VanDerWaalsContact NE2-CD 3.32Å; Q516-Q524 VanDerWaalsContact NE2-NE2 3.19Å
517S91.3Very high84.8Confident24 Ų2463.4 Ų63.417%0.16830%0.3CS..  trans-55129.8169.7159.80000110E452 R482 F519 D520 L521E452-S517 VanDerWaalsContact CD-OG 3.26Å; E452-S517 PolarHBondContact OE1-OG 3.41Å; E452-S517 WeakPolarHBondContact OE2-CA 3.3Å; E452-S517 WeakPolarHBondContact OE2-CB 3.5Å; E452-S517 PolarHBondContact OE2-OG 2.94Å; R482-S517 PolarHBondContact NH2-OG 3Å; S517-F519 PolarHBondContact O-N 3.22Å; S517-F519 PolarHBondContact OG-N 3.07Å; S517-D520 WeakPolarHBondContact CB-OD2 3.49Å; S517-D520 PolarHBondContact O-N 3.21Å; S517-D520 PolarHBondContact OG-N 3.37Å; S517-D520 VanDerWaalsContact OG-N 3.12Å; S517-L521 PolarHBondContact O-N 2.92Å
518V95.1Very high84.5Confident0 Ų065.7 Ų65.70%031%0.311CS..Hα-helixtrans-60.4-40.5175.9-176.50000109.9Y407 E452 L453 L504 L512 Q516 L521 I522Y407-V518 HydrophobicContact CE1-CG2 4.21Å; E452-V518 HydrophobicContact CB-CB 3.89Å; E452-V518 HydrophobicContact CB-CG2 4.24Å; E452-V518 PolarHBondContact OE2-N 3.37Å; L453-V518 HydrophobicContact CB-CG2 4.21Å; L504-V518 HydrophobicContact CD2-CG1 4.18Å; L512-V518 HydrophobicContact CD2-CB 4.24Å; L512-V518 HydrophobicContact CD2-CG1 4.05Å; L512-V518 HydrophobicContact CD2-CG2 3.78Å; Q516-V518 PolarHBondContact O-N 3.17Å; V518-L521 PolarHBondContact O-N 2.74Å; V518-I522 HydrophobicContact CG1-CD1 3.9Å; V518-I522 WeakPolarHBondContact O-CD1 3.41Å; V518-I522 VanDerWaalsContact O-CG1 3.29Å; V518-I522 WeakPolarHBondContact O-CG1 3.46Å; V518-I522 PolarHBondContact O-N 3.22Å
519F97.3Very high84.5Confident5 Ų569 Ų692%0.02233%0.326CS..Hα-helixtrans-63.4-42175.6-73.20.9000112.2E452 C455 I456 F479 R482 I483 M486 S517 S523E452-F519 HydrophobicContact CB-CD1 3.73Å; E452-F519 HydrophobicContact CB-CE1 3.7Å; E452-F519 HydrophobicContact CB-CG 4.2Å; E452-F519 HydrophobicContact CB-CZ 4.15Å; E452-F519 HydrophobicContact CG-CD1 4.08Å; E452-F519 HydrophobicContact CG-CD2 4.05Å; E452-F519 HydrophobicContact CG-CE1 4.14Å; E452-F519 HydrophobicContact CG-CE2 4.12Å; E452-F519 HydrophobicContact CG-CG 4.04Å; E452-F519 HydrophobicContact CG-CZ 4.16Å; E452-F519 PolarHBondContact OE2-N 3.17Å; C455-F519 HydrophobicContact CB-CZ 4.34Å; I456-F519 HydrophobicContact CD1-CD1 4.18Å; I456-F519 HydrophobicContact CD1-CE1 3.77Å; I456-F519 HydrophobicContact CG1-CD1 4.21Å; I456-F519 HydrophobicContact CG1-CE1 3.82Å; F479-F519 HydrophobicContact CD2-CE2 4.45Å; F479-F519 AromaticContact CE2-CE2 3.8Å; F479-F519 HydrophobicContact CE2-CE2 3.8Å; F479-F519 HydrophobicContact CE2-CZ 4.03Å; R482-F519 HydrophobicContact CB-CD2 4.19Å; R482-F519 HydrophobicContact CB-CE2 4.21Å; I483-F519 HydrophobicContact CG1-CE2 4.2Å; I483-F519 HydrophobicContact CG1-CZ 4.17Å; M486-F519 HydrophobicContact CB-CD1 4.41Å; M486-F519 HydrophobicContact CB-CD2 4.2Å; M486-F519 HydrophobicContact CB-CE1 4.5Å; M486-F519 HydrophobicContact CB-CE2 4.29Å; M486-F519 HydrophobicContact CB-CG 4.27Å; M486-F519 HydrophobicContact CB-CZ 4.44Å; M486-F519 HydrophobicContact CE-CB 3.7Å; M486-F519 HydrophobicContact CE-CD1 4.29Å; M486-F519 HydrophobicContact CE-CG 4.05Å; M486-F519 WeakPolarHBondContact CE-O 3.45Å; M486-F519 HydrophobicContact CG-CD1 3.97Å; M486-F519 HydrophobicContact CG-CE1 4.11Å; M486-F519 HydrophobicContact CG-CG 4.25Å; M486-F519 HydrophobicContact CG-CZ 4.5Å; S517-F519 PolarHBondContact O-N 3.22Å; S517-F519 PolarHBondContact OG-N 3.07Å; F519-S523 WeakPolarHBondContact O-CB 3.25Å; F519-S523 PolarHBondContact O-N 3.15Å; F519-S523 PolarHBondContact O-OG 3.26Å
520D94.9Very high85.1Confident83 Ų8365.8 Ų65.844%0.44431%0.311SS..Hα-helixtrans-67.6-40.9178.5-69.2-17000111.6S517 S523 Q524S517-D520 WeakPolarHBondContact CB-OD2 3.49Å; S517-D520 PolarHBondContact O-N 3.21Å; S517-D520 PolarHBondContact OG-N 3.37Å; S517-D520 VanDerWaalsContact OG-N 3.12Å; D520-S523 PolarHBondContact O-N 3.25Å; D520-Q524 WeakPolarHBondContact O-CB 3.15Å; D520-Q524 VanDerWaalsContact O-CG 3.25Å; D520-Q524 WeakPolarHBondContact O-CG 3.26Å; D520-Q524 PolarHBondContact O-N 3.13Å
521L94.4Very high85.9Confident7 Ų758.8 Ų58.84%0.03729%0.289CS..Hα-helixtrans-58.5-50.7174.9176.668.1000111.4N507 D511 L512 S517 V518 S523 Q524 I525N507-L521 HydrophobicContact CB-CD2 3.8Å; D511-L521 HydrophobicContact CB-CD1 3.84Å; D511-L521 HydrophobicContact CB-CD2 4.31Å; L512-L521 HydrophobicContact CD2-CD2 3.52Å; L512-L521 HydrophobicContact CG-CD2 3.73Å; S517-L521 PolarHBondContact O-N 2.92Å; V518-L521 PolarHBondContact O-N 2.74Å; L521-S523 VanDerWaalsContact C-N 3.29Å; L521-S523 PolarHBondContact O-N 2.89Å; L521-Q524 PolarHBondContact O-N 3.31Å; L521-I525 HydrophobicContact CD1-CD1 3.91Å; L521-I525 HydrophobicContact CG-CD1 4.05Å; L521-I525 WeakPolarHBondContact O-CG1 3.44Å; L521-I525 PolarHBondContact O-N 3.18Å; L521-I525 VanDerWaalsContact O-N 3.15Å
522I96.4Very high86.6Confident0 Ų059.9 Ų59.90%029%0.293CS..Hα-helixtrans-59.3-45.2177.2-68.6162.2000109.9I456 M486 L490 L500 I503 L504 V518 Q524 I525 L526I456-I522 HydrophobicContact CD1-CD1 4.03Å; I456-I522 HydrophobicContact CG1-CD1 3.86Å; M486-I522 HydrophobicContact CE-CB 4.18Å; M486-I522 HydrophobicContact CE-CG2 4.16Å; M486-I522 HydrophobicContact SD-CB 4.38Å; M486-I522 HydrophobicContact SD-CG2 3.82Å; L490-I522 HydrophobicContact CD2-CG2 4.14Å; L500-I522 HydrophobicContact CD1-CD1 3.9Å; L500-I522 HydrophobicContact CD1-CG1 4.09Å; L500-I522 HydrophobicContact CD1-CG2 4.04Å; I503-I522 HydrophobicContact CG2-CG1 4.31Å; L504-I522 HydrophobicContact CD2-CD1 4.46Å; V518-I522 HydrophobicContact CG1-CD1 3.9Å; V518-I522 WeakPolarHBondContact O-CD1 3.41Å; V518-I522 VanDerWaalsContact O-CG1 3.29Å; V518-I522 WeakPolarHBondContact O-CG1 3.46Å; V518-I522 PolarHBondContact O-N 3.22Å; I522-Q524 VanDerWaalsContact C-N 3.31Å; I522-Q524 PolarHBondContact O-N 3.47Å; I522-I525 PolarHBondContact O-N 3.29Å; I522-L526 HydrophobicContact CG2-CD1 3.62Å; I522-L526 HydrophobicContact CG2-CG 4.25Å; I522-L526 VanDerWaalsContact O-CG 3.32Å; I522-L526 WeakPolarHBondContact O-CG 3.42Å; I522-L526 PolarHBondContact O-N 3Å
523S95.8Very high87.5Confident23 Ų2363.9 Ų63.916%0.16131%0.312CS..Hα-helixtrans-62.3-36.5180-60.30000113M486 F519 D520 L521 K527M486-S523 VanDerWaalsContact CE-OG 3.25Å; M486-S523 WeakPolarHBondContact CE-OG 3.45Å; F519-S523 WeakPolarHBondContact O-CB 3.25Å; F519-S523 PolarHBondContact O-N 3.15Å; F519-S523 PolarHBondContact O-OG 3.26Å; D520-S523 PolarHBondContact O-N 3.25Å; L521-S523 VanDerWaalsContact C-N 3.29Å; L521-S523 PolarHBondContact O-N 2.89Å; S523-K527 WeakPolarHBondContact O-CB 3.32Å; S523-K527 VanDerWaalsContact O-CG 3.26Å; S523-K527 WeakPolarHBondContact O-CG 3.49Å; S523-K527 PolarHBondContact O-N 2.72Å
524Q93.7Very high88.9Confident119 Ų11963.3 Ų63.356%0.55631%0.309SS*.Hα-helixtrans-71.3-30.3177.6-75.1170.712.300113Q516 D520 L521 I522Q516-Q524 VanDerWaalsContact NE2-CD 3.32Å; Q516-Q524 VanDerWaalsContact NE2-NE2 3.19Å; D520-Q524 WeakPolarHBondContact O-CB 3.15Å; D520-Q524 VanDerWaalsContact O-CG 3.25Å; D520-Q524 WeakPolarHBondContact O-CG 3.26Å; D520-Q524 PolarHBondContact O-N 3.13Å; L521-Q524 PolarHBondContact O-N 3.31Å; I522-Q524 VanDerWaalsContact C-N 3.31Å; I522-Q524 PolarHBondContact O-N 3.47Å
525I94.2Very high90.5Very high61 Ų6157.5 Ų57.531%0.31329%0.286SS..Hα-helixtrans-82.2-28.1179.7-67.5168000111.7I503 N507 L521 I522I503-I525 HydrophobicContact CD1-CG2 3.92Å; I503-I525 HydrophobicContact CG1-CG2 3.98Å; I503-I525 HydrophobicContact CG2-CD1 3.72Å; I503-I525 HydrophobicContact CG2-CG2 4.45Å; N507-I525 WeakPolarHBondContact ND2-CD1 3.37Å; L521-I525 HydrophobicContact CD1-CD1 3.91Å; L521-I525 HydrophobicContact CG-CD1 4.05Å; L521-I525 WeakPolarHBondContact O-CG1 3.44Å; L521-I525 PolarHBondContact O-N 3.18Å; L521-I525 VanDerWaalsContact O-N 3.15Å; I522-I525 PolarHBondContact O-N 3.29Å
526L94.7Very high92.5Very high36 Ų3651.7 Ų51.719%0.18825%0.254CS..Hα-helixtrans-85.5-24179.6-66.9176.5000113.8L489 L490 V495 I503 I522L489-L526 HydrophobicContact CD2-CD1 4.14Å; L489-L526 HydrophobicContact CG-CD1 4.2Å; L490-L526 HydrophobicContact CD2-CD1 3.78Å; V495-L526 HydrophobicContact CG2-CD1 3.8Å; V495-L526 HydrophobicContact CG2-CD2 3.65Å; V495-L526 HydrophobicContact CG2-CG 4.39Å; I503-L526 HydrophobicContact CD1-CD2 3.96Å; I503-L526 HydrophobicContact CD1-CG 4.49Å; I522-L526 HydrophobicContact CG2-CD1 3.62Å; I522-L526 HydrophobicContact CG2-CG 4.25Å; I522-L526 VanDerWaalsContact O-CG 3.32Å; I522-L526 WeakPolarHBondContact O-CG 3.42Å; I522-L526 PolarHBondContact O-N 3Å
527K85.3Confident93.9Very high211 Ų21151.7 Ų51.792%0.91726%0.255SS*.  trans-86.10172.5-71.3174.6-178.31770110.4S523S523-K527 WeakPolarHBondContact O-CB 3.32Å; S523-K527 VanDerWaalsContact O-CG 3.26Å; S523-K527 WeakPolarHBondContact O-CG 3.49Å; S523-K527 PolarHBondContact O-N 2.72Å

Retrieved 527 of 527 residues in 1204.1 ms (Link to these results)

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