A0A5K4ER61_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4ER61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 570 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
1M48.1Very low69.1Low179 Ų17996.7 Ų96.788%0.88256%0.558SS**  0129.60-88176.5170.900108.2F63M1-F63 HydrophobicContact CE-CD1 4.1Å; M1-F63 HydrophobicContact CE-CD2 4.21Å; M1-F63 HydrophobicContact CE-CE1 3.41Å; M1-F63 VanDerWaalsContact CE-CE1 3.41Å; M1-F63 HydrophobicContact CE-CE2 3.56Å; M1-F63 HydrophobicContact CE-CG 4.46Å; M1-F63 HydrophobicContact CE-CZ 3.12Å
2G59.2Low71.3Confident17 Ų1791.3 Ų91.318%0.17553%0.533CS..EExtended strand (participates in β ladder)trans-99.1165.8167.600000110.6V11G2-V11 VanDerWaalsContact C-CG2 3.48Å; G2-V11 PolarHBondContact N-O 3.42Å; G2-V11 VanDerWaalsContact O-CG2 3.29Å; G2-V11 WeakPolarHBondContact O-CG2 3.38Å; G2-V11 PolarHBondContact O-N 3.43Å; G2-V11 VanDerWaalsContact O-N 3.09Å
3R56.7Low73.3Confident209 Ų20989.8 Ų89.879%0.78952%0.52SS*.EExtended strand (participates in β ladder)trans-118.7133.6163.4-67.6-178.2178.8176.9-0.7107.5S5R3-S5 PolarHBondContact O-N 2.96Å
4K58Low74.9Confident103 Ų10387.7 Ų87.745%0.44850%0.502SS..  trans-67.8130171.3-175174.5-178.8171.40108G6 S7K4-G6 PolarHBondContact O-N 3.04Å; K4-G6 VanDerWaalsContact O-N 3.17Å; K4-S7 PolarHBondContact O-N 3.43Å
5S59.1Low76.3Confident126 Ų12687 Ų8788%0.88150%0.503SS*.THydrogen-bonded Turntrans-52.8123.7176.9-167.10000109.9R3R3-S5 PolarHBondContact O-N 2.96Å
6G64.2Low77.5Confident89 Ų8983.3 Ų83.392%0.91848%0.481SS*.THydrogen-bonded Turntrans84.61.3-177.500000117K4K4-G6 PolarHBondContact O-N 3.04Å; K4-G6 VanDerWaalsContact O-N 3.17Å
7S67Low78.7Confident44 Ų4482.5 Ų82.531%0.30847%0.472SS..  trans-129.1132.7174.6106.60000111.9K4 K9K4-S7 PolarHBondContact O-N 3.43Å; S7-K9 PolarHBondContact O-N 3.49Å; S7-K9 PolarHBondContact OG-N 3.16Å
8S74.5Confident79.6Confident113 Ų11381.2 Ų81.279%0.7946%0.461SS*.  trans-69-10.1176-167.50000113.5
9K86.1Confident80.5Confident116 Ų11682.2 Ų82.250%0.50447%0.473SS..SBendtrans-74.4131-173.5-66.7-175.5178.8179.70111.5S7 Y385S7-K9 PolarHBondContact O-N 3.49Å; S7-K9 PolarHBondContact OG-N 3.16Å; K9-Y385 PolarHBondContact NZ-OH 3.49Å
10P91.8Very high81.1Confident64 Ų6486.6 Ų86.642%0.41649%0.486SS..EExtended strand (participates in β ladder)trans-65.8145.5175.527.9-34.1000111F63P10-F63 HydrophobicContact CB-CB 4.23Å; P10-F63 HydrophobicContact CB-CD1 4.16Å; P10-F63 HydrophobicContact CB-CG 4.28Å; P10-F63 HydrophobicContact CG-CB 4.32Å; P10-F63 HydrophobicContact CG-CD1 3.96Å; P10-F63 HydrophobicContact CG-CG 4.42Å; P10-F63 WeakPolarHBondContact O-CB 3.47Å
11V95.2Very high81.7Confident4 Ų484.1 Ų84.12%0.02447%0.472CS..EExtended strand (participates in β ladder)trans-127.6153.5174.7-60.90000111.5G2 I13 L48 I60 M61G2-V11 VanDerWaalsContact C-CG2 3.48Å; G2-V11 PolarHBondContact N-O 3.42Å; G2-V11 VanDerWaalsContact O-CG2 3.29Å; G2-V11 WeakPolarHBondContact O-CG2 3.38Å; G2-V11 PolarHBondContact O-N 3.43Å; G2-V11 VanDerWaalsContact O-N 3.09Å; V11-I13 HydrophobicContact CG2-CD1 4.31Å; V11-I13 HydrophobicContact CG2-CG1 4.1Å; V11-L48 HydrophobicContact CB-CD1 4.47Å; V11-L48 HydrophobicContact CG1-CD1 3.58Å; V11-I60 HydrophobicContact CB-CG2 4.06Å; V11-I60 HydrophobicContact CG1-CG2 4.28Å; V11-I60 HydrophobicContact CG2-CG2 4.03Å; V11-M61 WeakPolarHBondContact CB-O 3.41Å
12A96.2Very high83.8Confident31 Ų3179.2 Ų79.226%0.25646%0.455SS..EExtended strand (participates in β ladder)trans-96.7135.1167.500000109.3M61 F63A12-M61 HydrophobicContact CB-CB 4.48Å; A12-M61 HydrophobicContact CB-CE 4.49Å; A12-M61 PolarHBondContact N-O 3.43Å; A12-M61 PolarHBondContact O-N 3.33Å; A12-F63 HydrophobicContact CB-CD2 4.48Å
13I96.4Very high85.2Confident72 Ų7284 Ų8437%0.36948%0.477SS..EExtended strand (participates in β ladder)trans-122.6114.4-180-54.8177.6000108.1V11 Y58 I59 I60V11-I13 HydrophobicContact CG2-CD1 4.31Å; V11-I13 HydrophobicContact CG2-CG1 4.1Å; I13-Y58 HydrophobicContact CG2-CD1 4.06Å; I13-I59 WeakPolarHBondContact CA-O 3.32Å; I13-I60 HydrophobicContact CG1-CG1 4.29Å; I13-I60 HydrophobicContact CG2-CG1 4.48Å
14K95.5Very high86.7Confident61 Ų6178 Ų7827%0.26546%0.457SS..EExtended strand (participates in β ladder)trans-85.8109.8172.4-178.8176.1177.6-177.50107.5I16 E32 Y58 I59 M61 D127K14-I16 HydrophobicContact CD-CD1 4.44Å; K14-I16 HydrophobicContact CG-CD1 4.27Å; K14-I16 HydrophobicContact CG-CG1 4.18Å; K14-E32 IonicContact NZ-OE1 2.76Å; K14-E32 PolarHBondContact NZ-OE1 3.4Å; K14-E32 IonicContact NZ-OE2 3.39Å; K14-E32 PolarHBondContact NZ-OE2 2.77Å; K14-Y58 WeakPolarHBondContact O-CA 3.44Å; K14-I59 HydrophobicContact CB-CB 4.27Å; K14-I59 HydrophobicContact CD-CD1 4.46Å; K14-I59 PolarHBondContact N-O 3.33Å; K14-I59 PolarHBondContact O-N 2.94Å; K14-M61 HydrophobicContact CB-CE 3.76Å; K14-D127 IonicContact NZ-OD1 2.9Å; K14-D127 PolarHBondContact NZ-OD1 3Å
15C96.6Very high88.1Confident77 Ų7773.9 Ų73.952%0.5244%0.444SS..EExtended strand (participates in β ladder)trans-97.9121.2-179.1-54.60000110.1Y58C15-Y58 HydrophobicContact CB-CD1 4.23Å; C15-Y58 HydrophobicContact CB-CE1 4.33Å
16I96Very high89.7Confident28 Ų2873.8 Ų73.814%0.14443%0.425CS..EExtended strand (participates in β ladder)trans-121121.1-174.5-56.6169.6000109K14 K18 L21 L29 F56 V57 I59K14-I16 HydrophobicContact CD-CD1 4.44Å; K14-I16 HydrophobicContact CG-CD1 4.27Å; K14-I16 HydrophobicContact CG-CG1 4.18Å; I16-K18 PolarHBondContact O-N 3.04Å; I16-L21 HydrophobicContact CG2-CD1 3.99Å; I16-L21 HydrophobicContact CG2-CD2 3.91Å; I16-L21 HydrophobicContact CG2-CG 4.17Å; I16-L29 HydrophobicContact CD1-CD1 3.46Å; I16-L29 VanDerWaalsContact CD1-CD1 3.46Å; I16-L29 HydrophobicContact CD1-CD2 4.3Å; I16-L29 HydrophobicContact CG2-CD2 4.32Å; I16-F56 CarbonylContact O-C 3.59Å; I16-F56 VanDerWaalsContact O-CA 3.25Å; I16-F56 WeakPolarHBondContact O-CA 3.45Å; I16-V57 HydrophobicContact CB-CB 4.5Å; I16-V57 PolarHBondContact N-O 3.37Å; I16-V57 PolarHBondContact O-N 3.18Å; I16-I59 HydrophobicContact CD1-CD1 4.11Å
17M96.9Very high91Very high69 Ų6974.2 Ų74.234%0.3441%0.406SS..EExtended strand (participates in β ladder)trans-78.6119.1-179.1-174.6179.5-79.500110.8S19 K20 F56M17-S19 VanDerWaalsContact C-N 3.29Å; M17-S19 VanDerWaalsContact CG-OG 3.27Å; M17-S19 WeakPolarHBondContact CG-OG 3.33Å; M17-S19 PolarHBondContact O-N 3.32Å; M17-S19 PolarHBondContact SD-OG 2.92Å; M17-S19 VanDerWaalsContact SD-OG 3.4Å; M17-K20 HydrophobicContact CB-CD 4.38Å; M17-K20 HydrophobicContact CB-CG 4.34Å; M17-K20 HydrophobicContact CG-CG 4.3Å; M17-K20 PolarHBondContact O-N 2.7Å; M17-K20 VanDerWaalsContact O-N 3.16Å; M17-K20 HydrophobicContact SD-CD 4.01Å; M17-K20 HydrophobicContact SD-CG 3.91Å; M17-F56 HydrophobicContact CB-CD1 4.09Å; M17-F56 HydrophobicContact CB-CE1 3.78Å; M17-F56 HydrophobicContact CE-CE1 3.84Å; M17-F56 HydrophobicContact CE-CZ 3.66Å; M17-F56 HydrophobicContact CG-CE1 4.14Å
18K95.9Very high92Very high60 Ų6074 Ų7426%0.26140%0.402SS..G310 helixtrans-60.6-35.8-175.8-69.4179.2174-175.90113.3I16 K20 L21 D53 S55 F56 V57I16-K18 PolarHBondContact O-N 3.04Å; K18-K20 PolarHBondContact O-N 2.9Å; K18-L21 PolarHBondContact O-N 3.48Å; K18-D53 WeakPolarHBondContact CE-O 3.18Å; K18-D53 PolarHBondContact NZ-O 3.47Å; K18-S55 WeakPolarHBondContact CB-O 3.41Å; K18-S55 PolarHBondContact N-O 3.14Å; K18-F56 WeakPolarHBondContact CE-O 3.4Å; K18-V57 HydrophobicContact CG-CG2 4.12Å
19S95.3Very high92.9Very high100 Ų10069.3 Ų69.370%0.69937%0.368SS*.G310 helixtrans-67.8-19.9-179.558.50000113.8M17M17-S19 VanDerWaalsContact C-N 3.29Å; M17-S19 VanDerWaalsContact CG-OG 3.27Å; M17-S19 WeakPolarHBondContact CG-OG 3.33Å; M17-S19 PolarHBondContact O-N 3.32Å; M17-S19 PolarHBondContact SD-OG 2.92Å; M17-S19 VanDerWaalsContact SD-OG 3.4Å
20K94.3Very high93.3Very high170 Ų17068.2 Ų68.274%0.73937%0.37SS*.G310 helixtrans-89.9-6.7177.6-66.1-172.7176.7-176.40113.5M17 K18M17-K20 HydrophobicContact CB-CD 4.38Å; M17-K20 HydrophobicContact CB-CG 4.34Å; M17-K20 HydrophobicContact CG-CG 4.3Å; M17-K20 PolarHBondContact O-N 2.7Å; M17-K20 VanDerWaalsContact O-N 3.16Å; M17-K20 HydrophobicContact SD-CD 4.01Å; M17-K20 HydrophobicContact SD-CG 3.91Å; K18-K20 PolarHBondContact O-N 2.9Å
21L91.8Very high93.4Very high35 Ų3567.4 Ų67.418%0.18337%0.366CS..  trans-87.2120-178.7-62.9173.8000110.4I16 K18 R26 L29I16-L21 HydrophobicContact CG2-CD1 3.99Å; I16-L21 HydrophobicContact CG2-CD2 3.91Å; I16-L21 HydrophobicContact CG2-CG 4.17Å; K18-L21 PolarHBondContact O-N 3.48Å; L21-R26 HydrophobicContact CB-CG 3.72Å; L21-R26 HydrophobicContact CD1-CG 4.16Å; L21-L29 HydrophobicContact CD1-CD2 3.67Å
22S92.4Very high93.4Very high76 Ų7667.8 Ų67.853%0.53137%0.368SS..  trans-63.7167.716166.20000110.4Q24 G25 R26S22-Q24 VanDerWaalsContact C-N 3.29Å; S22-Q24 PolarHBondContact O-N 3.11Å; S22-G25 CarbonylContact O-C 3.54Å; S22-G25 WeakPolarHBondContact O-CA 3.47Å; S22-G25 PolarHBondContact O-N 3.4Å; S22-G25 PolarHBondContact OG-N 3.44Å; S22-R26 WeakPolarHBondContact O-CG 3.47Å; S22-R26 PolarHBondContact O-N 2.99Å
23N90.3Very high93.4Very high117 Ų11767 Ų6763%0.62636%0.359SS*.Hα-helixtrans-54.9-47.7175.2-67.9-17.2000111.2G25 R26 D27N23-G25 VanDerWaalsContact C-N 3.29Å; N23-G25 PolarHBondContact O-N 3.37Å; N23-R26 WeakPolarHBondContact O-CB 3.36Å; N23-R26 PolarHBondContact O-N 2.96Å; N23-R26 VanDerWaalsContact O-N 3.08Å; N23-D27 PolarHBondContact O-N 3.12Å
24Q86.9Confident93.4Very high82 Ų8267 Ų6738%0.38337%0.365SS..Hα-helixtrans-60.1-38174.3-172.159.454.600112.7S22 R26 D27 N28S22-Q24 VanDerWaalsContact C-N 3.29Å; S22-Q24 PolarHBondContact O-N 3.11Å; Q24-R26 VanDerWaalsContact C-N 3.32Å; Q24-R26 PolarHBondContact O-N 3.48Å; Q24-D27 PolarHBondContact O-N 3.49Å; Q24-N28 PolarHBondContact NE2-OD1 3.2Å; Q24-N28 WeakPolarHBondContact O-CB 3.26Å; Q24-N28 PolarHBondContact O-N 2.94Å; Q24-N28 PolarHBondContact O-ND2 2.89Å
25G88.5Confident93.5Very high17 Ų1764.5 Ų64.518%0.17536%0.355CS..Hα-helixtrans-63.9-35.5175.400000113S22 N23 L29S22-G25 CarbonylContact O-C 3.54Å; S22-G25 WeakPolarHBondContact O-CA 3.47Å; S22-G25 PolarHBondContact O-N 3.4Å; S22-G25 PolarHBondContact OG-N 3.44Å; N23-G25 VanDerWaalsContact C-N 3.29Å; N23-G25 PolarHBondContact O-N 3.37Å; G25-L29 WeakPolarHBondContact O-CB 3.39Å; G25-L29 PolarHBondContact O-N 3.19Å
26R92.3Very high93.5Very high124 Ų12461.3 Ų61.347%0.46833%0.332SS..Hα-helixtrans-68.8-44.1174.2-65.1177-170.6156.22.4111.3L21 S22 N23 Q24 N28 L29 V30L21-R26 HydrophobicContact CB-CG 3.72Å; L21-R26 HydrophobicContact CD1-CG 4.16Å; S22-R26 WeakPolarHBondContact O-CG 3.47Å; S22-R26 PolarHBondContact O-N 2.99Å; N23-R26 WeakPolarHBondContact O-CB 3.36Å; N23-R26 PolarHBondContact O-N 2.96Å; N23-R26 VanDerWaalsContact O-N 3.08Å; Q24-R26 VanDerWaalsContact C-N 3.32Å; Q24-R26 PolarHBondContact O-N 3.48Å; R26-N28 VanDerWaalsContact C-N 3.35Å; R26-N28 PolarHBondContact O-N 3.38Å; R26-L29 WeakPolarHBondContact O-CB 3.47Å; R26-L29 PolarHBondContact O-N 2.81Å; R26-V30 WeakPolarHBondContact O-CG2 3.48Å; R26-V30 PolarHBondContact O-N 2.82Å
27D90.7Very high93.5Very high99 Ų9965.6 Ų65.653%0.52935%0.35SS..Hα-helixtrans-63.7-42.3178.3-63.6-22.9000111.3N23 Q24 L29 V30 S31N23-D27 PolarHBondContact O-N 3.12Å; Q24-D27 PolarHBondContact O-N 3.49Å; D27-L29 VanDerWaalsContact C-N 3.34Å; D27-L29 PolarHBondContact O-N 3.41Å; D27-V30 PolarHBondContact O-N 3.04Å; D27-S31 WeakPolarHBondContact O-CB 3.25Å; D27-S31 PolarHBondContact O-N 2.75Å
28N88.5Confident93.4Very high40 Ų4064.8 Ų64.821%0.21435%0.354CS..Hα-helixtrans-61.1-41.7174-70.4-16.4000111.6Q24 R26 S31 E32 R144Q24-N28 PolarHBondContact NE2-OD1 3.2Å; Q24-N28 WeakPolarHBondContact O-CB 3.26Å; Q24-N28 PolarHBondContact O-N 2.94Å; Q24-N28 PolarHBondContact O-ND2 2.89Å; R26-N28 VanDerWaalsContact C-N 3.35Å; R26-N28 PolarHBondContact O-N 3.38Å; N28-S31 WeakPolarHBondContact O-CB 3.4Å; N28-S31 PolarHBondContact O-N 3.3Å; N28-E32 WeakPolarHBondContact O-CB 3.41Å; N28-E32 PolarHBondContact O-N 3.26Å; N28-R144 PolarHBondContact OD1-NH2 3.13Å
29L93.8Very high93.5Very high14 Ų1462.3 Ų62.37%0.07334%0.344CS..Hα-helixtrans-64.5-42.8176.9176.958.6000112.5I16 L21 G25 R26 D27 S31 E32 I33 V57 I59I16-L29 HydrophobicContact CD1-CD1 3.46Å; I16-L29 VanDerWaalsContact CD1-CD1 3.46Å; I16-L29 HydrophobicContact CD1-CD2 4.3Å; I16-L29 HydrophobicContact CG2-CD2 4.32Å; L21-L29 HydrophobicContact CD1-CD2 3.67Å; G25-L29 WeakPolarHBondContact O-CB 3.39Å; G25-L29 PolarHBondContact O-N 3.19Å; R26-L29 WeakPolarHBondContact O-CB 3.47Å; R26-L29 PolarHBondContact O-N 2.81Å; D27-L29 VanDerWaalsContact C-N 3.34Å; D27-L29 PolarHBondContact O-N 3.41Å; L29-S31 VanDerWaalsContact C-N 3.31Å; L29-S31 PolarHBondContact O-N 3.41Å; L29-E32 PolarHBondContact O-N 3.05Å; L29-I33 HydrophobicContact CD1-CD1 3.94Å; L29-I33 HydrophobicContact CD1-CG1 4.24Å; L29-I33 HydrophobicContact CG-CD1 4.09Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 2.99Å; L29-V57 HydrophobicContact CD2-CB 4.12Å; L29-V57 HydrophobicContact CD2-CG1 4.19Å; L29-V57 HydrophobicContact CD2-CG2 4.01Å; L29-I59 HydrophobicContact CD1-CD1 3.95Å
30V94.5Very high93.6Very high92 Ų9263 Ų6356%0.55834%0.336SS*.Hα-helixtrans-63.7-39.6175.8172.30000110.9R26 D27 S34R26-V30 WeakPolarHBondContact O-CG2 3.48Å; R26-V30 PolarHBondContact O-N 2.82Å; D27-V30 PolarHBondContact O-N 3.04Å; V30-S34 WeakPolarHBondContact O-CB 3.49Å; V30-S34 PolarHBondContact O-N 3.28Å; V30-S34 PolarHBondContact O-OG 2.65Å
31S93.4Very high93.8Very high47 Ų4756.6 Ų56.633%0.32931%0.309SS..Hα-helixtrans-63.6-47.2174.1-173.60000111.5D27 N28 L29 I33 S34 I35D27-S31 WeakPolarHBondContact O-CB 3.25Å; D27-S31 PolarHBondContact O-N 2.75Å; N28-S31 WeakPolarHBondContact O-CB 3.4Å; N28-S31 PolarHBondContact O-N 3.3Å; L29-S31 VanDerWaalsContact C-N 3.31Å; L29-S31 PolarHBondContact O-N 3.41Å; S31-I33 PolarHBondContact O-N 3.33Å; S31-S34 PolarHBondContact O-N 2.93Å; S31-I35 WeakPolarHBondContact O-CG1 3.48Å; S31-I35 PolarHBondContact O-N 3.34Å
32E95.2Very high93.9Very high13 Ų1359.2 Ų59.26%0.06133%0.328CS..Hα-helixtrans-56.6-50.6177.2-179.2-178.4-176.900110.8K14 N28 L29 S34 I35 L36 F128K14-E32 IonicContact NZ-OE1 2.76Å; K14-E32 PolarHBondContact NZ-OE1 3.4Å; K14-E32 IonicContact NZ-OE2 3.39Å; K14-E32 PolarHBondContact NZ-OE2 2.77Å; N28-E32 WeakPolarHBondContact O-CB 3.41Å; N28-E32 PolarHBondContact O-N 3.26Å; L29-E32 PolarHBondContact O-N 3.05Å; E32-S34 VanDerWaalsContact C-N 3.33Å; E32-S34 PolarHBondContact O-N 2.92Å; E32-I35 PolarHBondContact O-N 3.21Å; E32-L36 HydrophobicContact CG-CD1 3.83Å; E32-L36 HydrophobicContact CG-CG 4.35Å; E32-L36 WeakPolarHBondContact O-CB 3.42Å; E32-L36 VanDerWaalsContact O-CG 3.3Å; E32-L36 WeakPolarHBondContact O-CG 3.17Å; E32-L36 PolarHBondContact O-N 3.01Å; E32-F128 HydrophobicContact CG-CB 4.43Å
33I96.4Very high94.2Very high15 Ų1556.8 Ų56.88%0.07731%0.308CS..Hα-helixtrans-61.9-42.4178.9-67.9167.3000110.9L29 S31 L36 K37 M47 F50 V57 I59L29-I33 HydrophobicContact CD1-CD1 3.94Å; L29-I33 HydrophobicContact CD1-CG1 4.24Å; L29-I33 HydrophobicContact CG-CD1 4.09Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 2.99Å; S31-I33 PolarHBondContact O-N 3.33Å; I33-L36 PolarHBondContact O-N 3.05Å; I33-K37 HydrophobicContact CG2-CD 4.29Å; I33-K37 HydrophobicContact CG2-CG 4.48Å; I33-K37 WeakPolarHBondContact O-CB 3.34Å; I33-K37 VanDerWaalsContact O-CG 3.27Å; I33-K37 WeakPolarHBondContact O-CG 3.44Å; I33-K37 PolarHBondContact O-N 3.43Å; I33-M47 HydrophobicContact CG2-SD 4.49Å; I33-F50 HydrophobicContact CD1-CD2 4.09Å; I33-F50 HydrophobicContact CG2-CD1 4.26Å; I33-F50 HydrophobicContact CG2-CD2 3.98Å; I33-F50 HydrophobicContact CG2-CE2 4.24Å; I33-F50 HydrophobicContact CG2-CG 4Å; I33-V57 HydrophobicContact CD1-CG1 4.17Å; I33-I59 HydrophobicContact CG1-CD1 4.02Å; I33-I59 HydrophobicContact CG1-CG1 4.31Å
34S96.4Very high94.6Very high70 Ų7051.3 Ų51.349%0.4928%0.278SS..Hα-helixtrans-62.6-42.8178.6-61.60000112.3V30 S31 E32V30-S34 WeakPolarHBondContact O-CB 3.49Å; V30-S34 PolarHBondContact O-N 3.28Å; V30-S34 PolarHBondContact O-OG 2.65Å; S31-S34 PolarHBondContact O-N 2.93Å; E32-S34 VanDerWaalsContact C-N 3.33Å; E32-S34 PolarHBondContact O-N 2.92Å
35I96.8Very high95.1Very high10 Ų1047.8 Ų47.85%0.05126%0.262CS..Hα-helixtrans-63.5-54.5174.6-72.7170.4000109.7S31 E32 K37 A38 L39 I103 F128 A131S31-I35 WeakPolarHBondContact O-CG1 3.48Å; S31-I35 PolarHBondContact O-N 3.34Å; E32-I35 PolarHBondContact O-N 3.21Å; I35-K37 VanDerWaalsContact C-N 3.26Å; I35-K37 PolarHBondContact O-N 3.23Å; I35-A38 WeakPolarHBondContact O-CB 3.36Å; I35-A38 PolarHBondContact O-N 3.29Å; I35-L39 HydrophobicContact CG2-CD1 3.74Å; I35-L39 HydrophobicContact CG2-CG 4.29Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.32Å; I35-I103 HydrophobicContact CG2-CD1 4.14Å; I35-I103 HydrophobicContact CG2-CG2 4.44Å; I35-F128 HydrophobicContact CG2-CB 4.44Å; I35-F128 HydrophobicContact CG2-CD1 3.93Å; I35-F128 HydrophobicContact CG2-CG 4.42Å; I35-A131 HydrophobicContact CD1-CB 4.03Å; I35-A131 VanDerWaalsContact CD1-O 3.32Å; I35-A131 WeakPolarHBondContact CD1-O 3.38Å
36L97.2Very high95.5Very high9 Ų952 Ų525%0.04727%0.273CS..Hα-helixtrans-57.5-36.2-177-75.5175.2000113.1E32 I33 A38 L39 M47 I59 F128E32-L36 HydrophobicContact CG-CD1 3.83Å; E32-L36 HydrophobicContact CG-CG 4.35Å; E32-L36 WeakPolarHBondContact O-CB 3.42Å; E32-L36 VanDerWaalsContact O-CG 3.3Å; E32-L36 WeakPolarHBondContact O-CG 3.17Å; E32-L36 PolarHBondContact O-N 3.01Å; I33-L36 PolarHBondContact O-N 3.05Å; L36-A38 PolarHBondContact O-N 3.26Å; L36-L39 PolarHBondContact O-N 3.49Å; L36-M47 HydrophobicContact CB-CB 3.92Å; L36-M47 HydrophobicContact CB-CG 4.46Å; L36-M47 HydrophobicContact CB-SD 3.89Å; L36-M47 HydrophobicContact CD1-SD 4.37Å; L36-I59 HydrophobicContact CD1-CG2 4.27Å; L36-F128 HydrophobicContact CD2-CB 4.19Å; L36-F128 HydrophobicContact CD2-CD2 3.68Å; L36-F128 HydrophobicContact CD2-CE2 4.39Å; L36-F128 HydrophobicContact CD2-CG 4.09Å; L36-F128 HydrophobicContact CG-CB 4.4Å
37K96.3Very high95.8Very high119 Ų11947.1 Ų47.152%0.51726%0.256SS..Hα-helixtrans-59.5-32.8173.5-79.3178.5178.4177.30113.5I33 I35 L39 M47I33-K37 HydrophobicContact CG2-CD 4.29Å; I33-K37 HydrophobicContact CG2-CG 4.48Å; I33-K37 WeakPolarHBondContact O-CB 3.34Å; I33-K37 VanDerWaalsContact O-CG 3.27Å; I33-K37 WeakPolarHBondContact O-CG 3.44Å; I33-K37 PolarHBondContact O-N 3.43Å; I35-K37 VanDerWaalsContact C-N 3.26Å; I35-K37 PolarHBondContact O-N 3.23Å; K37-L39 VanDerWaalsContact C-N 3.35Å; K37-M47 HydrophobicContact CB-CE 4.24Å; K37-M47 HydrophobicContact CD-CE 4.38Å; K37-M47 HydrophobicContact CG-CE 3.26Å
38A95.6Very high96Very high52 Ų5245.4 Ų45.443%0.4325%0.247SC..THydrogen-bonded Turntrans-89.9-0.1-175.700000113.5I35 L36 K101I35-A38 WeakPolarHBondContact O-CB 3.36Å; I35-A38 PolarHBondContact O-N 3.29Å; L36-A38 PolarHBondContact O-N 3.26Å; A38-K101 VanDerWaalsContact O-CE 3.31Å; A38-K101 WeakPolarHBondContact O-CE 3.48Å; A38-K101 PolarHBondContact O-NZ 3Å
39L97.7Very high96.3Very high8 Ų847.2 Ų47.24%0.04226%0.256CS..  trans-106.6121.4-176.4-61.8178.8000111.5I35 L36 K37 I44 Y97 L98 K101 I103 F128I35-L39 HydrophobicContact CG2-CD1 3.74Å; I35-L39 HydrophobicContact CG2-CG 4.29Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.32Å; L36-L39 PolarHBondContact O-N 3.49Å; K37-L39 VanDerWaalsContact C-N 3.35Å; L39-I44 HydrophobicContact CB-CG2 4.41Å; L39-I44 HydrophobicContact CD1-CG2 4.22Å; L39-Y97 HydrophobicContact CB-CE1 4.42Å; L39-Y97 HydrophobicContact CD2-CD1 4.22Å; L39-Y97 HydrophobicContact CD2-CE1 3.6Å; L39-L98 HydrophobicContact CD1-CD2 4.1Å; L39-L98 HydrophobicContact CD2-CD2 3.66Å; L39-K101 HydrophobicContact CD2-CD 3.85Å; L39-I103 HydrophobicContact CD2-CD1 3.76Å; L39-F128 HydrophobicContact CD1-CD1 3.9Å; L39-F128 HydrophobicContact CD1-CD2 4.49Å; L39-F128 HydrophobicContact CD1-CE1 3.53Å; L39-F128 HydrophobicContact CD1-CE2 4.18Å; L39-F128 HydrophobicContact CD1-CG 4.37Å; L39-F128 HydrophobicContact CD1-CZ 3.69Å
40E96.9Very high96.4Very high113 Ų11349 Ų4953%0.52826%0.263SS..  trans-140.6104.2169.7-176164.8-160.400108.2R46 Y97E40-R46 IonicContact OE1-CZ 3.31Å; E40-R46 IonicContact OE1-NH1 2.72Å; E40-R46 PolarHBondContact OE1-NH1 3.05Å; E40-R46 IonicContact OE1-NH2 3.46Å; E40-R46 PolarHBondContact OE1-NH2 3.24Å; E40-R46 VanDerWaalsContact OE1-NH2 3.14Å; E40-R46 IonicContact OE2-NH2 2.69Å; E40-Y97 PolarHBondContact N-OH 3.39Å; E40-Y97 PolarHBondContact O-OH 3.17Å; E40-Y97 VanDerWaalsContact O-OH 3.1Å
41H97.6Very high96.6Very high37 Ų3748 Ų4817%0.17126%0.257CS..  trans-153.3142.8-176.7-173.9-98.1000110.9H43 I44 A94 Y97H41-H43 AromaticContact CE1-CD2 3.84Å; H41-H43 PolarHBondContact ND1-N 2.85Å; H41-H43 VanDerWaalsContact ND1-N 3.16Å; H41-H43 PolarHBondContact O-N 3.29Å; H41-H43 VanDerWaalsContact O-N 3.13Å; H41-I44 HydrophobicContact CB-CB 4.13Å; H41-I44 HydrophobicContact CB-CD1 3.89Å; H41-I44 HydrophobicContact CB-CG1 3.98Å; H41-I44 PolarHBondContact O-N 2.95Å; H41-I44 VanDerWaalsContact O-N 3.15Å; H41-I44 VanDerWaalsContact O-O 3.1Å; H41-A94 PolarHBondContact CE1-N 3.26Å; H41-Y97 HydrophobicContact CB-CD1 3.88Å; H41-Y97 HydrophobicContact CB-CD2 4.47Å; H41-Y97 HydrophobicContact CB-CE1 3.99Å; H41-Y97 HydrophobicContact CB-CG 4.11Å; H41-Y97 AromaticContact CD2-CD2 3.92Å; H41-Y97 AromaticContact CD2-CG 3.77Å
42P95.2Very high96.7Very high89 Ų8953.1 Ų53.158%0.57827%0.27SS*.THydrogen-bonded Turntrans-57.9-28.8-177.6-27.535.9000115.1K124P42-K124 WeakPolarHBondContact O-CE 3.4Å; P42-K124 PolarHBondContact O-NZ 3.2Å
43H97.8Very high96.8Very high25 Ų2555.5 Ų55.512%0.11628%0.283CS..THydrogen-bonded Turntrans-107.722.5-178.2-58.1-59.4000113.7H41 Q90 A94 S122 L123 K124 L125H41-H43 AromaticContact CE1-CD2 3.84Å; H41-H43 PolarHBondContact ND1-N 2.85Å; H41-H43 VanDerWaalsContact ND1-N 3.16Å; H41-H43 PolarHBondContact O-N 3.29Å; H41-H43 VanDerWaalsContact O-N 3.13Å; H43-Q90 WeakPolarHBondContact CB-O 3.39Å; H43-Q90 WeakPolarHBondContact CE1-CG 2.75Å; H43-A94 HydrophobicContact CB-CB 3.95Å; H43-S122 PolarHBondContact CE1-OG 3.26Å; H43-L123 WeakPolarHBondContact CA-O 3.4Å; H43-L123 PolarHBondContact ND1-O 3.31Å; H43-K124 CarbonylContact O-C 3.55Å; H43-K124 WeakPolarHBondContact O-CA 3.16Å; H43-L125 PolarHBondContact O-N 3.44Å
44I98.4Very high96.9Very high2 Ų259.6 Ų59.61%0.0132%0.319CS..BIsolated β-bridgetrans-128.5135.8170.8-60.9178000107.6L39 H41 R46 A94 Y97 L98 L125 F128L39-I44 HydrophobicContact CB-CG2 4.41Å; L39-I44 HydrophobicContact CD1-CG2 4.22Å; H41-I44 HydrophobicContact CB-CB 4.13Å; H41-I44 HydrophobicContact CB-CD1 3.89Å; H41-I44 HydrophobicContact CB-CG1 3.98Å; H41-I44 PolarHBondContact O-N 2.95Å; H41-I44 VanDerWaalsContact O-N 3.15Å; H41-I44 VanDerWaalsContact O-O 3.1Å; I44-R46 PolarHBondContact O-N 3.34Å; I44-R46 VanDerWaalsContact O-N 3.13Å; I44-A94 HydrophobicContact CG1-CB 4.06Å; I44-Y97 HydrophobicContact CD1-CD1 3.67Å; I44-Y97 HydrophobicContact CD1-CE1 4.16Å; I44-L98 HydrophobicContact CD1-CD1 4.48Å; I44-L98 HydrophobicContact CD1-CD2 3.79Å; I44-L98 HydrophobicContact CD1-CG 3.97Å; I44-L125 HydrophobicContact CG1-CB 4.39Å; I44-F128 HydrophobicContact CD1-CZ 4.5Å; I44-F128 HydrophobicContact CG2-CE2 3.7Å; I44-F128 HydrophobicContact CG2-CZ 3.74Å
45V98.1Very high96.9Very high8 Ų859.4 Ų59.45%0.04832%0.317CS..  trans-64.1114.6176.6176.10000109.2M47 M61 E62 L114 K124 L125 A126V45-M47 PolarHBondContact O-N 3.44Å; V45-M61 HydrophobicContact CG1-CB 4Å; V45-M61 HydrophobicContact CG1-CG 4.49Å; V45-M61 HydrophobicContact CG1-SD 4.37Å; V45-E62 WeakPolarHBondContact CA-OE1 3.21Å; V45-E62 HydrophobicContact CG1-CG 3.9Å; V45-L114 HydrophobicContact CG2-CD1 4.02Å; V45-L114 HydrophobicContact CG2-CG 4.49Å; V45-K124 HydrophobicContact CG2-CB 3.65Å; V45-K124 HydrophobicContact CG2-CD 4.47Å; V45-L125 WeakPolarHBondContact CG2-O 3.47Å; V45-L125 PolarHBondContact N-O 2.89Å; V45-A126 HydrophobicContact CB-CB 4.32Å; V45-A126 HydrophobicContact CG2-CB 3.74Å
46R97.6Very high96.9Very high107 Ų10762 Ų6240%0.40433%0.328SS..  trans-70.6127.5179-175.4178.7-178.9147.613.5111.1E40 I44 L48 M61 E62E40-R46 IonicContact OE1-CZ 3.31Å; E40-R46 IonicContact OE1-NH1 2.72Å; E40-R46 PolarHBondContact OE1-NH1 3.05Å; E40-R46 IonicContact OE1-NH2 3.46Å; E40-R46 PolarHBondContact OE1-NH2 3.24Å; E40-R46 VanDerWaalsContact OE1-NH2 3.14Å; E40-R46 IonicContact OE2-NH2 2.69Å; I44-R46 PolarHBondContact O-N 3.34Å; I44-R46 VanDerWaalsContact O-N 3.13Å; R46-L48 HydrophobicContact CG-CD2 4.14Å; R46-L48 PolarHBondContact O-N 2.99Å; R46-M61 WeakPolarHBondContact O-CA 2.93Å; R46-E62 HydrophobicContact CB-CG 4.23Å; R46-E62 PolarHBondContact N-OE1 3.3Å; R46-E62 PolarHBondContact O-N 2.96Å
47M97.2Very high96.9Very high21 Ų2162.3 Ų62.310%0.10333%0.331CS..EExtended strand (participates in β ladder)trans-75.4118.8160.4-169.1-17277.200108.8I33 L36 K37 V45 F50 I59I33-M47 HydrophobicContact CG2-SD 4.49Å; L36-M47 HydrophobicContact CB-CB 3.92Å; L36-M47 HydrophobicContact CB-CG 4.46Å; L36-M47 HydrophobicContact CB-SD 3.89Å; L36-M47 HydrophobicContact CD1-SD 4.37Å; K37-M47 HydrophobicContact CB-CE 4.24Å; K37-M47 HydrophobicContact CD-CE 4.38Å; K37-M47 HydrophobicContact CG-CE 3.26Å; V45-M47 PolarHBondContact O-N 3.44Å; M47-F50 HydrophobicContact CE-CD1 4.24Å; M47-F50 HydrophobicContact SD-CB 4.23Å; M47-I59 HydrophobicContact CG-CG2 3.76Å; M47-I59 HydrophobicContact SD-CG2 3.87Å
48L95.9Very high96.9Very high63 Ų6359.5 Ų59.533%0.3332%0.317SS..EExtended strand (participates in β ladder)trans-85.1-36.9-179-58.9177000111.5V11 R46 I60V11-L48 HydrophobicContact CB-CD1 4.47Å; V11-L48 HydrophobicContact CG1-CD1 3.58Å; R46-L48 HydrophobicContact CG-CD2 4.14Å; R46-L48 PolarHBondContact O-N 2.99Å; L48-I60 HydrophobicContact CB-CG2 4.34Å; L48-I60 PolarHBondContact N-O 2.91Å
49D95.3Very high97Very high78 Ų7857 Ų5742%0.41730%0.297SS..EExtended strand (participates in β ladder)trans-166.1170.2-178.8-156.5-5.6000110.1I60D49-I60 HydrophobicContact CB-CB 4.2Å; D49-I60 HydrophobicContact CB-CD1 3.83Å; D49-I60 PolarHBondContact N-O 3.11Å; D49-I60 PolarHBondContact O-N 3.08Å
50F96Very high96.9Very high51 Ų5157.8 Ų57.822%0.22430%0.301CS..EExtended strand (participates in β ladder)trans-146.5145.3168.478.6-67.2000109.7I33 M47 W52 Y58I33-F50 HydrophobicContact CD1-CD2 4.09Å; I33-F50 HydrophobicContact CG2-CD1 4.26Å; I33-F50 HydrophobicContact CG2-CD2 3.98Å; I33-F50 HydrophobicContact CG2-CE2 4.24Å; I33-F50 HydrophobicContact CG2-CG 4Å; M47-F50 HydrophobicContact CE-CD1 4.24Å; M47-F50 HydrophobicContact SD-CB 4.23Å; F50-W52 HydrophobicContact CD2-CE3 4.32Å; F50-W52 HydrophobicContact CD2-CZ3 4.3Å; F50-W52 AromaticContact CE2-CE3 3.97Å; F50-W52 HydrophobicContact CE2-CE3 3.97Å; F50-W52 AromaticContact CE2-CZ3 3.57Å; F50-W52 HydrophobicContact CE2-CZ3 3.57Å; F50-W52 HydrophobicContact CZ-CZ3 4.04Å; F50-Y58 CarbonylContact C-O 3.53Å; F50-Y58 VanDerWaalsContact CA-O 3.23Å; F50-Y58 WeakPolarHBondContact CA-O 3.49Å
51T96.7Very high96.9Very high70 Ų7054.1 Ų54.143%0.42928%0.284SS..EExtended strand (participates in β ladder)trans-147.8173.1178.4-172.50000110.6Y58 I60T51-Y58 HydrophobicContact CG2-CD2 3.95Å; T51-Y58 HydrophobicContact CG2-CG 4.32Å; T51-Y58 PolarHBondContact N-O 3Å; T51-Y58 PolarHBondContact O-N 3.25Å; T51-I60 HydrophobicContact CG2-CD1 4.13Å
52W96.9Very high96.8Very high155 Ų15554.6 Ų54.659%0.58729%0.286SS*.EExtended strand (participates in β ladder)trans-152.1155.2179.564.687000111.6F50 F56 V57F50-W52 HydrophobicContact CD2-CE3 4.32Å; F50-W52 HydrophobicContact CD2-CZ3 4.3Å; F50-W52 AromaticContact CE2-CE3 3.97Å; F50-W52 HydrophobicContact CE2-CE3 3.97Å; F50-W52 AromaticContact CE2-CZ3 3.57Å; F50-W52 HydrophobicContact CE2-CZ3 3.57Å; F50-W52 HydrophobicContact CZ-CZ3 4.04Å; W52-F56 CarbonylContact C-O 3.59Å; W52-F56 VanDerWaalsContact CA-O 3.24Å; W52-F56 WeakPolarHBondContact CA-O 3.36Å; W52-F56 WeakPolarHBondContact CB-O 3.49Å; W52-V57 HydrophobicContact CB-CG2 4.18Å
53D97.3Very high96.8Very high64 Ų6454.1 Ų54.134%0.34228%0.275SS..  trans-124.2-163.5170.765.135.2000110.5K18 S55 F56 Y58K18-D53 WeakPolarHBondContact CE-O 3.18Å; K18-D53 PolarHBondContact NZ-O 3.47Å; D53-S55 PolarHBondContact O-N 3.11Å; D53-S55 WeakPolarHBondContact OD1-CA 3.48Å; D53-S55 PolarHBondContact OD1-N 2.89Å; D53-F56 PolarHBondContact N-O 3.38Å; D53-F56 PolarHBondContact OD1-N 3.37Å; D53-Y58 HydrophobicContact CB-CE2 4.45Å; D53-Y58 VanDerWaalsContact OD2-CE2 3.23Å; D53-Y58 WeakPolarHBondContact OD2-CE2 3.29Å; D53-Y58 PolarHBondContact OD2-OH 3.43Å
54A97.1Very high96.7Very high100 Ų10053.6 Ų53.683%0.82627%0.274SS*.SBendtrans-60.6-31.2178.700000113.5
55S96.7Very high96.5Very high66 Ų6655.6 Ų55.646%0.46230%0.295SS..SBendtrans-113.9-27.5-169.9-63.40000114.4K18 D53K18-S55 WeakPolarHBondContact CB-O 3.41Å; K18-S55 PolarHBondContact N-O 3.14Å; D53-S55 PolarHBondContact O-N 3.11Å; D53-S55 WeakPolarHBondContact OD1-CA 3.48Å; D53-S55 PolarHBondContact OD1-N 2.89Å
56F97.5Very high96.3Very high64 Ų6455.9 Ų55.928%0.28130%0.3SS..EExtended strand (participates in β ladder)trans-130.5154.1-169.8-65.1-86.4000113.6I16 M17 K18 W52 D53 Y58I16-F56 CarbonylContact O-C 3.59Å; I16-F56 VanDerWaalsContact O-CA 3.25Å; I16-F56 WeakPolarHBondContact O-CA 3.45Å; M17-F56 HydrophobicContact CB-CD1 4.09Å; M17-F56 HydrophobicContact CB-CE1 3.78Å; M17-F56 HydrophobicContact CE-CE1 3.84Å; M17-F56 HydrophobicContact CE-CZ 3.66Å; M17-F56 HydrophobicContact CG-CE1 4.14Å; K18-F56 WeakPolarHBondContact CE-O 3.4Å; W52-F56 CarbonylContact C-O 3.59Å; W52-F56 VanDerWaalsContact CA-O 3.24Å; W52-F56 WeakPolarHBondContact CA-O 3.36Å; W52-F56 WeakPolarHBondContact CB-O 3.49Å; D53-F56 PolarHBondContact N-O 3.38Å; D53-F56 PolarHBondContact OD1-N 3.37Å; F56-Y58 HydrophobicContact CB-CD2 4.46Å; F56-Y58 HydrophobicContact CB-CE1 3.99Å; F56-Y58 HydrophobicContact CB-CE2 3.79Å
57V97Very high96.2Very high16 Ų1652 Ų5210%0.09729%0.293CS..EExtended strand (participates in β ladder)trans-109.6135.9160.3-1800000107.7I16 K18 L29 I33 W52I16-V57 HydrophobicContact CB-CB 4.5Å; I16-V57 PolarHBondContact N-O 3.37Å; I16-V57 PolarHBondContact O-N 3.18Å; K18-V57 HydrophobicContact CG-CG2 4.12Å; L29-V57 HydrophobicContact CD2-CB 4.12Å; L29-V57 HydrophobicContact CD2-CG1 4.19Å; L29-V57 HydrophobicContact CD2-CG2 4.01Å; I33-V57 HydrophobicContact CD1-CG1 4.17Å; W52-V57 HydrophobicContact CB-CG2 4.18Å
58Y97.4Very high96.2Very high60 Ų6052.9 Ų52.924%0.23530%0.298CS..EExtended strand (participates in β ladder)trans-118.9118-178.6-54.8-83.4000109.4I13 K14 C15 F50 T51 D53 F56I13-Y58 HydrophobicContact CG2-CD1 4.06Å; K14-Y58 WeakPolarHBondContact O-CA 3.44Å; C15-Y58 HydrophobicContact CB-CD1 4.23Å; C15-Y58 HydrophobicContact CB-CE1 4.33Å; F50-Y58 CarbonylContact C-O 3.53Å; F50-Y58 VanDerWaalsContact CA-O 3.23Å; F50-Y58 WeakPolarHBondContact CA-O 3.49Å; T51-Y58 HydrophobicContact CG2-CD2 3.95Å; T51-Y58 HydrophobicContact CG2-CG 4.32Å; T51-Y58 PolarHBondContact N-O 3Å; T51-Y58 PolarHBondContact O-N 3.25Å; D53-Y58 HydrophobicContact CB-CE2 4.45Å; D53-Y58 VanDerWaalsContact OD2-CE2 3.23Å; D53-Y58 WeakPolarHBondContact OD2-CE2 3.29Å; D53-Y58 PolarHBondContact OD2-OH 3.43Å; F56-Y58 HydrophobicContact CB-CD2 4.46Å; F56-Y58 HydrophobicContact CB-CE1 3.99Å; F56-Y58 HydrophobicContact CB-CE2 3.79Å
59I96.7Very high96.3Very high0 Ų050 Ų500%028%0.283CS..EExtended strand (participates in β ladder)trans-101.9114.4172.3-54.3176.1000107.5I13 K14 I16 L29 I33 L36 M47 M61I13-I59 WeakPolarHBondContact CA-O 3.32Å; K14-I59 HydrophobicContact CB-CB 4.27Å; K14-I59 HydrophobicContact CD-CD1 4.46Å; K14-I59 PolarHBondContact N-O 3.33Å; K14-I59 PolarHBondContact O-N 2.94Å; I16-I59 HydrophobicContact CD1-CD1 4.11Å; L29-I59 HydrophobicContact CD1-CD1 3.95Å; I33-I59 HydrophobicContact CG1-CD1 4.02Å; I33-I59 HydrophobicContact CG1-CG1 4.31Å; L36-I59 HydrophobicContact CD1-CG2 4.27Å; M47-I59 HydrophobicContact CG-CG2 3.76Å; M47-I59 HydrophobicContact SD-CG2 3.87Å; I59-M61 HydrophobicContact CG2-CG 3.97Å; I59-M61 HydrophobicContact CG2-SD 4.34Å
60I96.4Very high96.3Very high25 Ų2546.6 Ų46.613%0.12827%0.266CS..EExtended strand (participates in β ladder)trans-96.1118-176.7-57.8123.1000108.3V11 I13 L48 D49 T51V11-I60 HydrophobicContact CB-CG2 4.06Å; V11-I60 HydrophobicContact CG1-CG2 4.28Å; V11-I60 HydrophobicContact CG2-CG2 4.03Å; I13-I60 HydrophobicContact CG1-CG1 4.29Å; I13-I60 HydrophobicContact CG2-CG1 4.48Å; L48-I60 HydrophobicContact CB-CG2 4.34Å; L48-I60 PolarHBondContact N-O 2.91Å; D49-I60 HydrophobicContact CB-CB 4.2Å; D49-I60 HydrophobicContact CB-CD1 3.83Å; D49-I60 PolarHBondContact N-O 3.11Å; D49-I60 PolarHBondContact O-N 3.08Å; T51-I60 HydrophobicContact CG2-CD1 4.13Å
61M96.7Very high96.3Very high35 Ų3550.8 Ų50.817%0.17228%0.281CS..EExtended strand (participates in β ladder)trans-122.6158-172.4-61175.5-68.800111.1V11 A12 K14 V45 R46 I59V11-M61 WeakPolarHBondContact CB-O 3.41Å; A12-M61 HydrophobicContact CB-CB 4.48Å; A12-M61 HydrophobicContact CB-CE 4.49Å; A12-M61 PolarHBondContact N-O 3.43Å; A12-M61 PolarHBondContact O-N 3.33Å; K14-M61 HydrophobicContact CB-CE 3.76Å; V45-M61 HydrophobicContact CG1-CB 4Å; V45-M61 HydrophobicContact CG1-CG 4.49Å; V45-M61 HydrophobicContact CG1-SD 4.37Å; R46-M61 WeakPolarHBondContact O-CA 2.93Å; I59-M61 HydrophobicContact CG2-CG 3.97Å; I59-M61 HydrophobicContact CG2-SD 4.34Å
62E95.5Very high96.2Very high47 Ų4748.6 Ų48.622%0.2227%0.265CS..EExtended strand (participates in β ladder)trans-59.4145.1168.168.3176144.800111.4V45 R46 K124V45-E62 WeakPolarHBondContact CA-OE1 3.21Å; V45-E62 HydrophobicContact CG1-CG 3.9Å; R46-E62 HydrophobicContact CB-CG 4.23Å; R46-E62 PolarHBondContact N-OE1 3.3Å; R46-E62 PolarHBondContact O-N 2.96Å; E62-K124 WeakPolarHBondContact OE1-CD 3.36Å; E62-K124 IonicContact OE1-NZ 3.12Å; E62-K124 PolarHBondContact OE1-NZ 2.97Å; E62-K124 IonicContact OE2-NZ 3.73Å; E62-K124 PolarHBondContact OE2-NZ 3.21Å
63F95.5Very high96.1Very high80 Ų8041.4 Ų41.435%0.35124%0.239SC..  trans-87.9128-179.6178.7-107.8000111.4M1 P10 A12 G65M1-F63 HydrophobicContact CE-CD1 4.1Å; M1-F63 HydrophobicContact CE-CD2 4.21Å; M1-F63 HydrophobicContact CE-CE1 3.41Å; M1-F63 VanDerWaalsContact CE-CE1 3.41Å; M1-F63 HydrophobicContact CE-CE2 3.56Å; M1-F63 HydrophobicContact CE-CG 4.46Å; M1-F63 HydrophobicContact CE-CZ 3.12Å; P10-F63 HydrophobicContact CB-CB 4.23Å; P10-F63 HydrophobicContact CB-CD1 4.16Å; P10-F63 HydrophobicContact CB-CG 4.28Å; P10-F63 HydrophobicContact CG-CB 4.32Å; P10-F63 HydrophobicContact CG-CD1 3.96Å; P10-F63 HydrophobicContact CG-CG 4.42Å; P10-F63 WeakPolarHBondContact O-CB 3.47Å; A12-F63 HydrophobicContact CB-CD2 4.48Å; F63-G65 VanDerWaalsContact CE1-CA 3.42Å
64C95.7Very high95.9Very high13 Ų1346.7 Ų46.79%0.08825%0.254CS..  trans-105.3105.3174.1-660000110G66 L114 L115C64-G66 PolarHBondContact O-N 2.92Å; C64-L114 HydrophobicContact CB-CB 3.7Å; C64-L114 HydrophobicContact CB-CD1 3.98Å; C64-L114 HydrophobicContact CB-CG 4.5Å; C64-L115 CarbonylContact C-O 3.49Å; C64-L115 WeakPolarHBondContact CB-O 3.32Å
65G93.1Very high95.7Very high44 Ų4448.1 Ų48.145%0.45425%0.246SC..THydrogen-bonded Turntrans-78.9-9.2-169.300000116.2F63 T116F63-G65 VanDerWaalsContact CE1-CA 3.42Å; G65-T116 PolarHBondContact N-O 2.86Å
66G94Very high95.4Very high14 Ų1451.1 Ų51.114%0.14425%0.251CS..THydrogen-bonded Turntrans-86.7-4.1-179.500000114.9C64 L115C64-G66 PolarHBondContact O-N 2.92Å; G66-L115 VanDerWaalsContact CA-O 3.28Å; G66-L115 WeakPolarHBondContact CA-O 3.48Å; G66-L115 PolarHBondContact N-O 3.44Å
67G96Very high95.1Very high25 Ų2558.1 Ų58.126%0.25828%0.276SS..EExtended strand (participates in β ladder)trans77-156-172.700000112.3L114 L115G67-L114 CarbonylContact O-C 3.59Å; G67-L114 WeakPolarHBondContact O-CA 3.32Å; G67-L115 PolarHBondContact O-N 3.49Å
68D97.6Very high94.9Very high40 Ų4064.4 Ų64.421%0.21430%0.298CS..EExtended strand (participates in β ladder)trans-99.9157.5178.566.296.4000113G70 R71 F72 I113 L114D68-G70 PolarHBondContact O-N 3.41Å; D68-G70 VanDerWaalsContact OD1-CA 3.28Å; D68-G70 WeakPolarHBondContact OD1-CA 3.32Å; D68-G70 PolarHBondContact OD1-N 3.18Å; D68-R71 PolarHBondContact O-N 2.83Å; D68-R71 PolarHBondContact OD1-N 3.28Å; D68-R71 WeakPolarHBondContact OD2-CB 3.42Å; D68-F72 PolarHBondContact O-N 3.14Å; D68-I113 CarbonylContact C-O 3.6Å; D68-I113 WeakPolarHBondContact CA-O 3.15Å; D68-L114 HydrophobicContact CB-CD2 4Å
69L97.3Very high94.6Very high2 Ų261.9 Ų61.91%0.0129%0.289CS..Hα-helixtrans-61.6-31.6178.818063.5000111.9F72 L73 L79 F87 P110 I113 L123 I172L69-F72 HydrophobicContact CD1-CD1 4.24Å; L69-F72 PolarHBondContact O-N 3.41Å; L69-L73 VanDerWaalsContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 PolarHBondContact O-N 2.98Å; L69-L79 HydrophobicContact CD1-CD1 4.27Å; L69-F87 HydrophobicContact CD1-CD2 3.89Å; L69-F87 HydrophobicContact CD1-CE2 3.59Å; L69-P110 HydrophobicContact CB-CB 4.18Å; L69-P110 WeakPolarHBondContact CB-O 3.45Å; L69-P110 HydrophobicContact CG-CB 4.29Å; L69-P110 PolarHBondContact N-O 3.35Å; L69-P110 VanDerWaalsContact N-O 3.16Å; L69-I113 HydrophobicContact CB-CB 4.07Å; L69-I113 HydrophobicContact CB-CG2 4.33Å; L69-I113 HydrophobicContact CD2-CB 4.34Å; L69-I113 HydrophobicContact CD2-CD1 4.05Å; L69-I113 HydrophobicContact CD2-CG2 4.33Å; L69-I113 PolarHBondContact N-O 2.89Å; L69-L123 HydrophobicContact CD1-CD2 4.36Å; L69-I172 HydrophobicContact CD2-CG2 4.05Å
70G96.2Very high94.2Very high7 Ų764.8 Ų64.87%0.07230%0.304CS..Hα-helixtrans-65-45.2177.800000112.4D68 F72 R74 P110D68-G70 PolarHBondContact O-N 3.41Å; D68-G70 VanDerWaalsContact OD1-CA 3.28Å; D68-G70 WeakPolarHBondContact OD1-CA 3.32Å; D68-G70 PolarHBondContact OD1-N 3.18Å; G70-F72 VanDerWaalsContact C-N 3.35Å; G70-R74 WeakPolarHBondContact O-CB 3.47Å; G70-R74 PolarHBondContact O-N 2.66Å; G70-P110 VanDerWaalsContact CA-CB 3.47Å; G70-P110 VanDerWaalsContact N-CB 3.32Å; G70-P110 PolarHBondContact N-O 2.94Å
71R95.8Very high93.8Very high140 Ų14066 Ų6653%0.52831%0.309SS..Hα-helixtrans-61.9-43.1171.2-179.9177.9178.9178.1-0.5111.4D68 R74 L75D68-R71 PolarHBondContact O-N 2.83Å; D68-R71 PolarHBondContact OD1-N 3.28Å; D68-R71 WeakPolarHBondContact OD2-CB 3.42Å; R71-R74 PolarHBondContact O-N 3.08Å; R71-L75 HydrophobicContact CG-CD1 4.31Å; R71-L75 WeakPolarHBondContact O-CG 3.39Å; R71-L75 PolarHBondContact O-N 3.47Å; R71-L75 VanDerWaalsContact O-N 3.13Å
72F94.7Very high93.3Very high24 Ų2466.4 Ų66.411%0.10531%0.312CS..Hα-helixtrans-62-45.9179.4-175.2-97.8000112.2D68 L69 G70 L75 K76 L79 L83 F87 L115 P121D68-F72 PolarHBondContact O-N 3.14Å; L69-F72 HydrophobicContact CD1-CD1 4.24Å; L69-F72 PolarHBondContact O-N 3.41Å; G70-F72 VanDerWaalsContact C-N 3.35Å; F72-L75 PolarHBondContact O-N 3.05Å; F72-K76 HydrophobicContact CD1-CG 4.49Å; F72-K76 HydrophobicContact CE1-CG 4.17Å; F72-K76 HydrophobicContact CZ-CG 4.23Å; F72-K76 PolarHBondContact O-N 3.26Å; F72-L79 HydrophobicContact CD1-CD1 4.36Å; F72-L79 HydrophobicContact CD1-CD2 3.91Å; F72-L79 HydrophobicContact CE1-CD1 4.27Å; F72-L79 HydrophobicContact CE1-CD2 3.57Å; F72-L83 HydrophobicContact CE1-CD2 3.99Å; F72-L83 HydrophobicContact CZ-CD2 4.19Å; F72-F87 HydrophobicContact CD1-CE2 4.31Å; F72-F87 HydrophobicContact CE1-CE2 4.07Å; F72-F87 HydrophobicContact CE1-CZ 4.2Å; F72-L115 HydrophobicContact CB-CD1 3.52Å; F72-L115 HydrophobicContact CD1-CD1 4.28Å; F72-L115 HydrophobicContact CD2-CD1 3.54Å; F72-L115 HydrophobicContact CE2-CD1 4.31Å; F72-L115 HydrophobicContact CG-CD1 3.53Å; F72-P121 HydrophobicContact CE2-CG 4.35Å; F72-P121 HydrophobicContact CZ-CG 4.2Å
73L94.5Very high93Very high4 Ų465.6 Ų65.62%0.02131%0.309CS..Hα-helixtrans-62.4-44.1176.8-179.757.2000111.6L69 L75 K76 R77 L79 E175L69-L73 VanDerWaalsContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 PolarHBondContact O-N 2.98Å; L73-L75 VanDerWaalsContact C-N 3.28Å; L73-L75 PolarHBondContact O-N 3.1Å; L73-K76 CarbonylContact O-C 3.37Å; L73-K76 PolarHBondContact O-N 3.44Å; L73-R77 WeakPolarHBondContact O-CA 3.06Å; L73-R77 PolarHBondContact O-N 3.38Å; L73-L79 HydrophobicContact CD1-CD2 4.42Å; L73-L79 HydrophobicContact CD1-CG 4Å; L73-E175 HydrophobicContact CD2-CB 4.02Å; L73-E175 HydrophobicContact CD2-CG 3.59Å
74R93.4Very high92.9Very high175 Ų17562 Ų6266%0.6629%0.293SS*.Hα-helixtrans-58.3-39175.8-176.8172.261.6-111.72.4112.7G70 R71G70-R74 WeakPolarHBondContact O-CB 3.47Å; G70-R74 PolarHBondContact O-N 2.66Å; R71-R74 PolarHBondContact O-N 3.08Å
75L92Very high92.8Very high129 Ų12962.5 Ų62.568%0.67529%0.294SS*.Hα-helixtrans-70.6-38.6177.5-70.3170.1000112.3R71 F72 L73R71-L75 HydrophobicContact CG-CD1 4.31Å; R71-L75 WeakPolarHBondContact O-CG 3.39Å; R71-L75 PolarHBondContact O-N 3.47Å; R71-L75 VanDerWaalsContact O-N 3.13Å; F72-L75 PolarHBondContact O-N 3.05Å; L73-L75 VanDerWaalsContact C-N 3.28Å; L73-L75 PolarHBondContact O-N 3.1Å
76K90.4Very high92.8Very high130 Ų13062.2 Ų62.257%0.56528%0.28SS*.Hα-helixtrans-85.6-12.2-179.3-66.7-65.5-174.1178.20113.9F72 L73 R78 L79F72-K76 HydrophobicContact CD1-CG 4.49Å; F72-K76 HydrophobicContact CE1-CG 4.17Å; F72-K76 HydrophobicContact CZ-CG 4.23Å; F72-K76 PolarHBondContact O-N 3.26Å; L73-K76 CarbonylContact O-C 3.37Å; L73-K76 PolarHBondContact O-N 3.44Å; K76-R78 PolarHBondContact O-N 3.42Å; K76-L79 HydrophobicContact CB-CD2 3.7Å; K76-L79 HydrophobicContact CG-CD2 4Å
77R91.7Very high92.9Very high211 Ų21161.9 Ų61.980%0.79627%0.274SS*.SBendtrans64.3-48.1-170.1-55.8-178.3177.7-176.3-0.4113.8L73 G179L73-R77 WeakPolarHBondContact O-CA 3.06Å; L73-R77 PolarHBondContact O-N 3.38Å; R77-G179 WeakPolarHBondContact O-CA 3.4Å
78R91.4Very high93Very high147 Ų14761 Ų6156%0.55526%0.263SS*.SBendtrans-147.2160.8171.363-178.2178.9-166.9-0.9109.2K76 N208K76-R78 PolarHBondContact O-N 3.42Å; R78-N208 PolarHBondContact NH1-ND2 3.28Å; R78-N208 PolarHBondContact NH1-OD1 3.01Å
79L92Very high93Very high8 Ų859.6 Ų59.64%0.04226%0.255CS..  trans-106.6143.5177.4-55.9-173.4000110L69 F72 L73 K76 L83 V84 F87 C176L69-L79 HydrophobicContact CD1-CD1 4.27Å; F72-L79 HydrophobicContact CD1-CD1 4.36Å; F72-L79 HydrophobicContact CD1-CD2 3.91Å; F72-L79 HydrophobicContact CE1-CD1 4.27Å; F72-L79 HydrophobicContact CE1-CD2 3.57Å; L73-L79 HydrophobicContact CD1-CD2 4.42Å; L73-L79 HydrophobicContact CD1-CG 4Å; K76-L79 HydrophobicContact CB-CD2 3.7Å; K76-L79 HydrophobicContact CG-CD2 4Å; L79-L83 HydrophobicContact CD2-CD2 4.27Å; L79-V84 HydrophobicContact CB-CG2 3.56Å; L79-F87 HydrophobicContact CD1-CD2 3.95Å; L79-F87 HydrophobicContact CD1-CE2 3.82Å; L79-C176 HydrophobicContact CB-CB 4.48Å; L79-C176 HydrophobicContact CD1-CB 4.15Å; L79-C176 HydrophobicContact CG-CB 4.41Å; L79-C176 PolarHBondContact N-O 2.95Å
80D87.4Confident93Very high61 Ų6160.9 Ų60.933%0.32626%0.262SS..  trans-68.7141.9171.545.4-71.5000111.7L82 L83 V84 R448D80-L82 PolarHBondContact O-N 3Å; D80-L82 VanDerWaalsContact O-N 3.11Å; D80-L83 WeakPolarHBondContact O-CA 3.43Å; D80-L83 WeakPolarHBondContact O-CB 3.42Å; D80-L83 PolarHBondContact O-N 2.94Å; D80-L83 WeakPolarHBondContact OD2-CB 3.48Å; D80-V84 WeakPolarHBondContact O-CG2 3.14Å; D80-V84 PolarHBondContact O-N 3.41Å; D80-R448 VanDerWaalsContact CG-NH1 3.32Å; D80-R448 IonicContact OD2-CZ 3.14Å; D80-R448 IonicContact OD2-NH1 3.33Å; D80-R448 PolarHBondContact OD2-NH1 3Å; D80-R448 IonicContact OD2-NH2 2.6Å
81E89.8Confident93Very high51 Ų5160.9 Ų60.924%0.23826%0.26CS..Hα-helixtrans-55.5-36.2-171.6-169.5177.913300113.3L83 V84 Q85 I210 S211 C214 F240E81-L83 PolarHBondContact O-N 3.45Å; E81-V84 WeakPolarHBondContact O-CB 3.5Å; E81-V84 PolarHBondContact O-N 3.37Å; E81-Q85 WeakPolarHBondContact O-CB 3.41Å; E81-Q85 PolarHBondContact O-N 2.88Å; E81-I210 VanDerWaalsContact OE2-CA 3.29Å; E81-I210 WeakPolarHBondContact OE2-CA 3.44Å; E81-S211 WeakPolarHBondContact OE1-CB 3Å; E81-S211 PolarHBondContact OE1-OG 3.07Å; E81-S211 PolarHBondContact OE2-N 3.03Å; E81-C214 HydrophobicContact CG-CB 4.43Å; E81-F240 HydrophobicContact CG-CE2 3.65Å; E81-F240 HydrophobicContact CG-CZ 3.63Å; E81-F240 VanDerWaalsContact OE1-CE2 3.28Å; E81-F240 WeakPolarHBondContact OE1-CE2 3.25Å
82L85Confident93.1Very high42 Ų4254.2 Ų54.222%0.2224%0.235CC..Hα-helixtrans-64.4-38.7176.3-176.865.1000112.6D80 R86D80-L82 PolarHBondContact O-N 3Å; D80-L82 VanDerWaalsContact O-N 3.11Å; L82-R86 WeakPolarHBondContact O-CG 3.26Å; L82-R86 PolarHBondContact O-N 2.6Å
83L89.5Confident93.3Very high31 Ų3155.4 Ų55.416%0.16224%0.242CC..Hα-helixtrans-70.8-40.7174.7179.959000110.7F72 L79 D80 E81 Q85 R86 F87F72-L83 HydrophobicContact CE1-CD2 3.99Å; F72-L83 HydrophobicContact CZ-CD2 4.19Å; L79-L83 HydrophobicContact CD2-CD2 4.27Å; D80-L83 WeakPolarHBondContact O-CA 3.43Å; D80-L83 WeakPolarHBondContact O-CB 3.42Å; D80-L83 PolarHBondContact O-N 2.94Å; D80-L83 WeakPolarHBondContact OD2-CB 3.48Å; E81-L83 PolarHBondContact O-N 3.45Å; L83-Q85 VanDerWaalsContact C-N 3.34Å; L83-Q85 PolarHBondContact O-N 3.44Å; L83-R86 PolarHBondContact O-N 3.07Å; L83-F87 HydrophobicContact CD1-CD1 4.15Å; L83-F87 HydrophobicContact CD1-CE1 3.75Å; L83-F87 HydrophobicContact CD1-CE2 4.34Å; L83-F87 HydrophobicContact CD1-CZ 3.85Å; L83-F87 HydrophobicContact CD2-CE2 4.46Å; L83-F87 HydrophobicContact CD2-CZ 4.45Å; L83-F87 HydrophobicContact CG-CD2 4.46Å; L83-F87 HydrophobicContact CG-CE1 4.45Å; L83-F87 HydrophobicContact CG-CE2 4.18Å; L83-F87 HydrophobicContact CG-CZ 4.18Å; L83-F87 WeakPolarHBondContact O-CB 3.28Å; L83-F87 PolarHBondContact O-N 2.94Å
84V94Very high93.4Very high3 Ų355.2 Ų55.22%0.01824%0.241CC..Hα-helixtrans-58.9-45.2175.2173.90000111.2L79 D80 E81 R86 F87 L88 L173 C176 L177L79-V84 HydrophobicContact CB-CG2 3.56Å; D80-V84 WeakPolarHBondContact O-CG2 3.14Å; D80-V84 PolarHBondContact O-N 3.41Å; E81-V84 WeakPolarHBondContact O-CB 3.5Å; E81-V84 PolarHBondContact O-N 3.37Å; V84-R86 PolarHBondContact O-N 3.33Å; V84-F87 WeakPolarHBondContact O-CB 3.38Å; V84-F87 PolarHBondContact O-N 2.92Å; V84-L88 HydrophobicContact CG1-CD1 4.42Å; V84-L88 HydrophobicContact CG1-CG 4.46Å; V84-L88 WeakPolarHBondContact O-CG 3.3Å; V84-L88 PolarHBondContact O-N 2.57Å; V84-L173 HydrophobicContact CG1-CD1 3.16Å; V84-C176 HydrophobicContact CG2-CB 3.93Å; V84-L177 HydrophobicContact CB-CD2 4.39Å; V84-L177 HydrophobicContact CG1-CD2 4.22Å; V84-L177 HydrophobicContact CG1-CG 4.46Å; V84-L177 HydrophobicContact CG2-CD2 4.08Å
85Q93.7Very high93.6Very high24 Ų2447.1 Ų47.111%0.11221%0.211CC..Hα-helixtrans-56.4-48.8175.9179.8177.243.800111.5E81 L83 F87 L88 Q89 F240E81-Q85 WeakPolarHBondContact O-CB 3.41Å; E81-Q85 PolarHBondContact O-N 2.88Å; L83-Q85 VanDerWaalsContact C-N 3.34Å; L83-Q85 PolarHBondContact O-N 3.44Å; Q85-F87 VanDerWaalsContact C-N 3.32Å; Q85-F87 PolarHBondContact O-N 3.24Å; Q85-L88 PolarHBondContact O-N 3.05Å; Q85-Q89 WeakPolarHBondContact O-CG 3.33Å; Q85-Q89 PolarHBondContact O-N 3.32Å; Q85-F240 HydrophobicContact CB-CE1 4.26Å; Q85-F240 HydrophobicContact CB-CE2 4.46Å; Q85-F240 HydrophobicContact CB-CZ 3.97Å; Q85-F240 WeakPolarHBondContact CG-O 3.43Å; Q85-F240 PolarHBondContact NE2-O 2.89Å
86R92.2Very high93.9Very high39 Ų3944.6 Ų44.615%0.14720%0.195CC..Hα-helixtrans-61.1-42.2177.8-67.7174.5-162.7-160.7-1.4112.3L82 L83 V84 L88 Q89 Q90 N290L82-R86 WeakPolarHBondContact O-CG 3.26Å; L82-R86 PolarHBondContact O-N 2.6Å; L83-R86 PolarHBondContact O-N 3.07Å; V84-R86 PolarHBondContact O-N 3.33Å; R86-L88 VanDerWaalsContact C-N 3.34Å; R86-Q89 WeakPolarHBondContact O-CB 3.32Å; R86-Q89 PolarHBondContact O-N 2.96Å; R86-Q90 VanDerWaalsContact O-CG 3.29Å; R86-Q90 WeakPolarHBondContact O-CG 3.37Å; R86-Q90 PolarHBondContact O-N 2.97Å; R86-Q90 VanDerWaalsContact O-N 3.11Å; R86-N290 PolarHBondContact NH1-OD1 3.48Å; R86-N290 PolarHBondContact NH2-ND2 3.2Å; R86-N290 VanDerWaalsContact NH2-ND2 3.1Å; R86-N290 PolarHBondContact NH2-OD1 3.31Å
87F96.4Very high94.2Very high7 Ų741 Ų413%0.03118%0.178CC..Hα-helixtrans-62.1-43.3176.4-82.53.8000111.5L69 F72 L79 L83 V84 Q85 Q90 L91 L115 P121 L123L69-F87 HydrophobicContact CD1-CD2 3.89Å; L69-F87 HydrophobicContact CD1-CE2 3.59Å; F72-F87 HydrophobicContact CD1-CE2 4.31Å; F72-F87 HydrophobicContact CE1-CE2 4.07Å; F72-F87 HydrophobicContact CE1-CZ 4.2Å; L79-F87 HydrophobicContact CD1-CD2 3.95Å; L79-F87 HydrophobicContact CD1-CE2 3.82Å; L83-F87 HydrophobicContact CD1-CD1 4.15Å; L83-F87 HydrophobicContact CD1-CE1 3.75Å; L83-F87 HydrophobicContact CD1-CE2 4.34Å; L83-F87 HydrophobicContact CD1-CZ 3.85Å; L83-F87 HydrophobicContact CD2-CE2 4.46Å; L83-F87 HydrophobicContact CD2-CZ 4.45Å; L83-F87 HydrophobicContact CG-CD2 4.46Å; L83-F87 HydrophobicContact CG-CE1 4.45Å; L83-F87 HydrophobicContact CG-CE2 4.18Å; L83-F87 HydrophobicContact CG-CZ 4.18Å; L83-F87 WeakPolarHBondContact O-CB 3.28Å; L83-F87 PolarHBondContact O-N 2.94Å; V84-F87 WeakPolarHBondContact O-CB 3.38Å; V84-F87 PolarHBondContact O-N 2.92Å; Q85-F87 VanDerWaalsContact C-N 3.32Å; Q85-F87 PolarHBondContact O-N 3.24Å; F87-Q90 PolarHBondContact O-N 3.43Å; F87-L91 WeakPolarHBondContact O-CG 3.39Å; F87-L91 PolarHBondContact O-N 2.69Å; F87-L115 HydrophobicContact CZ-CD2 4.07Å; F87-P121 HydrophobicContact CE1-CB 4.29Å; F87-P121 HydrophobicContact CE1-CG 3.95Å; F87-P121 HydrophobicContact CZ-CB 4.2Å; F87-P121 HydrophobicContact CZ-CG 3.73Å; F87-L123 VanDerWaalsContact CA-CD1 3.5Å; F87-L123 HydrophobicContact CB-CD1 3.43Å; F87-L123 VanDerWaalsContact CB-CD1 3.43Å; F87-L123 HydrophobicContact CB-CG 4.35Å; F87-L123 HydrophobicContact CD1-CD1 3.76Å; F87-L123 HydrophobicContact CD1-CD2 4.21Å; F87-L123 HydrophobicContact CD1-CG 3.7Å; F87-L123 HydrophobicContact CD2-CD1 4.17Å; F87-L123 HydrophobicContact CD2-CD2 4.26Å; F87-L123 HydrophobicContact CD2-CG 4.46Å; F87-L123 HydrophobicContact CE1-CD2 4.25Å; F87-L123 HydrophobicContact CE1-CG 4.06Å; F87-L123 HydrophobicContact CE2-CD2 4.3Å; F87-L123 HydrophobicContact CG-CD1 3.52Å; F87-L123 HydrophobicContact CG-CD2 4.21Å; F87-L123 HydrophobicContact CG-CG 3.92Å; F87-L123 HydrophobicContact CZ-CD2 4.29Å; F87-L123 VanDerWaalsContact O-CD1 3.32Å; F87-L123 WeakPolarHBondContact O-CD1 3.46Å
88L97.4Very high94.5Very high6 Ų631 Ų313%0.03114%0.141CC..Hα-helixtrans-66.2-37.5174.7-70.9-176000113.3V84 Q85 R86 Q90 L91 A92 I169 L173 L217 F240 I241V84-L88 HydrophobicContact CG1-CD1 4.42Å; V84-L88 HydrophobicContact CG1-CG 4.46Å; V84-L88 WeakPolarHBondContact O-CG 3.3Å; V84-L88 PolarHBondContact O-N 2.57Å; Q85-L88 PolarHBondContact O-N 3.05Å; R86-L88 VanDerWaalsContact C-N 3.34Å; L88-Q90 VanDerWaalsContact C-N 3.32Å; L88-Q90 PolarHBondContact O-N 3.38Å; L88-L91 HydrophobicContact CD2-CD1 4.39Å; L88-L91 PolarHBondContact O-N 3.49Å; L88-A92 WeakPolarHBondContact O-CB 3.44Å; L88-A92 PolarHBondContact O-N 3Å; L88-I169 HydrophobicContact CD2-CG2 3.77Å; L88-L173 HydrophobicContact CD1-CD1 3.81Å; L88-L173 HydrophobicContact CD1-CD2 3.92Å; L88-L173 HydrophobicContact CD1-CG 4.4Å; L88-L173 HydrophobicContact CG-CD1 4.43Å; L88-L217 HydrophobicContact CD1-CD2 3.66Å; L88-F240 HydrophobicContact CD1-CD1 3.97Å; L88-F240 HydrophobicContact CD1-CE1 3.74Å; L88-I241 HydrophobicContact CB-CD1 3.61Å; L88-I241 HydrophobicContact CD1-CD1 3.83Å; L88-I241 HydrophobicContact CG-CD1 4.33Å
89Q97.4Very high94.6Very high10 Ų1026.9 Ų26.95%0.04713%0.127CC..Hα-helixtrans-56.5-47.8172.9-78172.1-27.700111.1Q85 R86 L91 A92 L93 I241 D242 A246Q85-Q89 WeakPolarHBondContact O-CG 3.33Å; Q85-Q89 PolarHBondContact O-N 3.32Å; R86-Q89 WeakPolarHBondContact O-CB 3.32Å; R86-Q89 PolarHBondContact O-N 2.96Å; Q89-L91 PolarHBondContact O-N 3.26Å; Q89-A92 PolarHBondContact O-N 2.9Å; Q89-L93 WeakPolarHBondContact O-CG 3.42Å; Q89-L93 PolarHBondContact O-N 3.3Å; Q89-I241 WeakPolarHBondContact CG-O 3.24Å; Q89-I241 PolarHBondContact NE2-O 3.31Å; Q89-I241 VanDerWaalsContact NE2-O 3.09Å; Q89-D242 PolarHBondContact NE2-O 3.38Å; Q89-A246 HydrophobicContact CB-CB 4.27Å; Q89-A246 HydrophobicContact CG-CB 4.35Å
90Q97.1Very high94.8Very high30 Ų3032.5 Ų32.514%0.1416%0.157CC..Hα-helixtrans-64.5-41.4179.4-66175.7-3.800112.1H43 R86 F87 L88 A94 L123H43-Q90 WeakPolarHBondContact CB-O 3.39Å; H43-Q90 WeakPolarHBondContact CE1-CG 2.75Å; R86-Q90 VanDerWaalsContact O-CG 3.29Å; R86-Q90 WeakPolarHBondContact O-CG 3.37Å; R86-Q90 PolarHBondContact O-N 2.97Å; R86-Q90 VanDerWaalsContact O-N 3.11Å; F87-Q90 PolarHBondContact O-N 3.43Å; L88-Q90 VanDerWaalsContact C-N 3.32Å; L88-Q90 PolarHBondContact O-N 3.38Å; Q90-A94 PolarHBondContact O-N 3.24Å; Q90-A94 VanDerWaalsContact O-N 3.12Å; Q90-L123 HydrophobicContact CB-CB 4.35Å
91L97.6Very high95.2Very high7 Ų733.4 Ų33.44%0.03716%0.158CC..Hα-helixtrans-66-39.9174.2-72.7171000112.1F87 L88 Q89 A94 L95 I113 L123 L125F87-L91 WeakPolarHBondContact O-CG 3.39Å; F87-L91 PolarHBondContact O-N 2.69Å; L88-L91 HydrophobicContact CD2-CD1 4.39Å; L88-L91 PolarHBondContact O-N 3.49Å; Q89-L91 PolarHBondContact O-N 3.26Å; L91-A94 PolarHBondContact O-N 3.45Å; L91-L95 WeakPolarHBondContact O-CB 3.33Å; L91-L95 PolarHBondContact O-N 3.34Å; L91-I113 HydrophobicContact CD1-CD1 4.17Å; L91-I113 HydrophobicContact CD2-CD1 4Å; L91-I113 HydrophobicContact CD2-CG1 4.37Å; L91-I113 HydrophobicContact CD2-CG2 4.26Å; L91-L123 HydrophobicContact CD1-CD1 4.07Å; L91-L123 HydrophobicContact CD2-CD1 4.38Å; L91-L123 HydrophobicContact CG-CD1 3.84Å; L91-L125 HydrophobicContact CD2-CD2 3.38Å; L91-L125 HydrophobicContact CD2-CG 4.08Å
92A98.2Very high95.4Very high0 Ų033.6 Ų33.60%016%0.161CC..Hα-helixtrans-64.8-4217800000111.5L88 Q89 A94 L95 Q96 F235 F236 I241 L243L88-A92 WeakPolarHBondContact O-CB 3.44Å; L88-A92 PolarHBondContact O-N 3Å; Q89-A92 PolarHBondContact O-N 2.9Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 3.4Å; A92-L95 PolarHBondContact O-N 2.74Å; A92-Q96 WeakPolarHBondContact O-CB 3.32Å; A92-Q96 PolarHBondContact O-N 2.95Å; A92-F235 HydrophobicContact CB-CE1 3.68Å; A92-F235 HydrophobicContact CB-CZ 4.03Å; A92-F236 HydrophobicContact CB-CD1 4.24Å; A92-F236 WeakPolarHBondContact O-CE1 3.32Å; A92-I241 HydrophobicContact CB-CG2 3.81Å; A92-L243 HydrophobicContact CB-CD1 4.49Å; A92-L243 HydrophobicContact CB-CD2 3.97Å
93L97.6Very high95.9Very high48 Ų4832.1 Ų32.125%0.25115%0.153SC..Hα-helixtrans-59.6-44.4172-69.2170.2000111.6Q89 Q96 Y97 L243 A246Q89-L93 WeakPolarHBondContact O-CG 3.42Å; Q89-L93 PolarHBondContact O-N 3.3Å; L93-Q96 PolarHBondContact O-N 2.73Å; L93-Y97 PolarHBondContact O-N 3.29Å; L93-Y97 VanDerWaalsContact O-N 3.12Å; L93-L243 HydrophobicContact CD2-CD2 4.1Å; L93-L243 HydrophobicContact CG-CD2 4.03Å; L93-A246 HydrophobicContact CD1-CB 4.38Å
94A98Very high96.1Very high0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-62.9-44.6176.200000112.2H41 H43 I44 Q90 L91 A92 Y97 L98 L125H41-A94 PolarHBondContact CE1-N 3.26Å; H43-A94 HydrophobicContact CB-CB 3.95Å; I44-A94 HydrophobicContact CG1-CB 4.06Å; Q90-A94 PolarHBondContact O-N 3.24Å; Q90-A94 VanDerWaalsContact O-N 3.12Å; L91-A94 PolarHBondContact O-N 3.45Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 3.4Å; A94-Y97 WeakPolarHBondContact O-CB 3.23Å; A94-Y97 PolarHBondContact O-N 3.13Å; A94-L98 WeakPolarHBondContact O-CG 3.39Å; A94-L98 PolarHBondContact O-N 2.96Å; A94-L125 HydrophobicContact CB-CD1 3.69Å; A94-L125 HydrophobicContact CB-CG 4.13Å
95L97.5Very high96.1Very high5 Ų530.9 Ų30.93%0.02615%0.147CC..Hα-helixtrans-66.9-36.8177.7-78.5-163.1000112.8L91 A92 Y97 L98 K99 L108 L166 I169 F235 F236L91-L95 WeakPolarHBondContact O-CB 3.33Å; L91-L95 PolarHBondContact O-N 3.34Å; A92-L95 PolarHBondContact O-N 2.74Å; L95-Y97 VanDerWaalsContact C-N 3.3Å; L95-Y97 PolarHBondContact O-N 2.95Å; L95-L98 HydrophobicContact CD2-CD1 4.28Å; L95-L98 PolarHBondContact O-N 3.38Å; L95-K99 WeakPolarHBondContact O-CB 3.37Å; L95-K99 PolarHBondContact O-N 3.24Å; L95-L108 HydrophobicContact CD2-CD1 4.3Å; L95-L166 HydrophobicContact CD1-CD2 3.83Å; L95-I169 HydrophobicContact CD1-CD1 3.21Å; L95-I169 HydrophobicContact CD1-CG1 4.47Å; L95-I169 HydrophobicContact CG-CD1 4.06Å; L95-F235 HydrophobicContact CD1-CE1 4.22Å; L95-F236 HydrophobicContact CB-CE1 4Å; L95-F236 HydrophobicContact CB-CZ 4.25Å
96Q96.8Very high96.2Very high76 Ų7630.1 Ų30.136%0.35514%0.143SC..Hα-helixtrans-60.7-43.4174.5-171.5-179.462.100110.4A92 L93 K99 N100 F236A92-Q96 WeakPolarHBondContact O-CB 3.32Å; A92-Q96 PolarHBondContact O-N 2.95Å; L93-Q96 PolarHBondContact O-N 2.73Å; Q96-K99 PolarHBondContact O-N 3.48Å; Q96-N100 VanDerWaalsContact O-CG 3.25Å; Q96-N100 PolarHBondContact O-N 2.95Å; Q96-N100 VanDerWaalsContact O-N 3.08Å; Q96-N100 PolarHBondContact O-ND2 2.58Å; Q96-F236 VanDerWaalsContact CA-CZ 3.42Å; Q96-F236 HydrophobicContact CB-CD1 4.42Å; Q96-F236 HydrophobicContact CB-CD2 4.39Å; Q96-F236 HydrophobicContact CB-CE1 4.01Å; Q96-F236 HydrophobicContact CB-CE2 3.97Å; Q96-F236 HydrophobicContact CB-CZ 3.78Å; Q96-F236 HydrophobicContact CG-CD2 4.24Å; Q96-F236 HydrophobicContact CG-CE2 4.02Å; Q96-F236 HydrophobicContact CG-CZ 4.35Å
97Y97.6Very high96.3Very high54 Ų5428.4 Ų28.421%0.21214%0.137CC..Hα-helixtrans-62.1-45.6174.6-178.9-99.9000112.9L39 E40 H41 I44 L93 A94 L95 N100 K101L39-Y97 HydrophobicContact CB-CE1 4.42Å; L39-Y97 HydrophobicContact CD2-CD1 4.22Å; L39-Y97 HydrophobicContact CD2-CE1 3.6Å; E40-Y97 PolarHBondContact N-OH 3.39Å; E40-Y97 PolarHBondContact O-OH 3.17Å; E40-Y97 VanDerWaalsContact O-OH 3.1Å; H41-Y97 HydrophobicContact CB-CD1 3.88Å; H41-Y97 HydrophobicContact CB-CD2 4.47Å; H41-Y97 HydrophobicContact CB-CE1 3.99Å; H41-Y97 HydrophobicContact CB-CG 4.11Å; H41-Y97 AromaticContact CD2-CD2 3.92Å; H41-Y97 AromaticContact CD2-CG 3.77Å; I44-Y97 HydrophobicContact CD1-CD1 3.67Å; I44-Y97 HydrophobicContact CD1-CE1 4.16Å; L93-Y97 PolarHBondContact O-N 3.29Å; L93-Y97 VanDerWaalsContact O-N 3.12Å; A94-Y97 WeakPolarHBondContact O-CB 3.23Å; A94-Y97 PolarHBondContact O-N 3.13Å; L95-Y97 VanDerWaalsContact C-N 3.3Å; L95-Y97 PolarHBondContact O-N 2.95Å; Y97-N100 PolarHBondContact O-N 3.16Å; Y97-K101 HydrophobicContact CD1-CD 4.48Å; Y97-K101 HydrophobicContact CE1-CD 3.94Å; Y97-K101 PolarHBondContact O-N 2.76Å; Y97-K101 WeakPolarHBondContact OH-CE 3.47Å
98L97Very high96.4Very high1 Ų128.2 Ų28.21%0.00514%0.136CC..Hα-helixtrans-65.1-42.2177.3-68.7179000112L39 I44 A94 L95 N100 K101 N102 I103 L125 F128L39-L98 HydrophobicContact CD1-CD2 4.1Å; L39-L98 HydrophobicContact CD2-CD2 3.66Å; I44-L98 HydrophobicContact CD1-CD1 4.48Å; I44-L98 HydrophobicContact CD1-CD2 3.79Å; I44-L98 HydrophobicContact CD1-CG 3.97Å; A94-L98 WeakPolarHBondContact O-CG 3.39Å; A94-L98 PolarHBondContact O-N 2.96Å; L95-L98 HydrophobicContact CD2-CD1 4.28Å; L95-L98 PolarHBondContact O-N 3.38Å; L98-N100 VanDerWaalsContact C-N 3.33Å; L98-N100 PolarHBondContact O-N 2.61Å; L98-K101 CarbonylContact O-C 3.58Å; L98-K101 WeakPolarHBondContact O-CA 3.49Å; L98-K101 PolarHBondContact O-N 2.98Å; L98-N102 PolarHBondContact O-N 3.1Å; L98-N102 VanDerWaalsContact O-N 3.08Å; L98-I103 HydrophobicContact CB-CB 4.33Å; L98-I103 HydrophobicContact CD2-CB 4.08Å; L98-I103 HydrophobicContact CD2-CD1 4.34Å; L98-I103 HydrophobicContact CD2-CG2 3.93Å; L98-I103 PolarHBondContact O-N 3.5Å; L98-L125 HydrophobicContact CD1-CD1 4.04Å; L98-F128 HydrophobicContact CD1-CE1 4Å; L98-F128 HydrophobicContact CD1-CZ 4.24Å; L98-F128 HydrophobicContact CD2-CE1 3.79Å; L98-F128 HydrophobicContact CD2-CZ 4.23Å
99K94.9Very high96.3Very high61 Ų6129.5 Ų29.527%0.26514%0.142SC..Hα-helixtrans-59.6-43177.8179.557.4-179.1168.50111.5L95 Q96 K101 N102 H232L95-K99 WeakPolarHBondContact O-CB 3.37Å; L95-K99 PolarHBondContact O-N 3.24Å; Q96-K99 PolarHBondContact O-N 3.48Å; K99-K101 PolarHBondContact O-N 3.26Å; K99-N102 WeakPolarHBondContact O-CA 3.32Å; K99-N102 PolarHBondContact O-N 3.02Å; K99-H232 HydrophobicContact CG-CB 4.47Å
100N95.3Very high96.4Very high127 Ų12729 Ų2968%0.67914%0.139SC*.Hα-helixtrans-63.3-23.2176.1-70.2-14.4000113.2Q96 Y97 L98Q96-N100 VanDerWaalsContact O-CG 3.25Å; Q96-N100 PolarHBondContact O-N 2.95Å; Q96-N100 VanDerWaalsContact O-N 3.08Å; Q96-N100 PolarHBondContact O-ND2 2.58Å; Y97-N100 PolarHBondContact O-N 3.16Å; L98-N100 VanDerWaalsContact C-N 3.33Å; L98-N100 PolarHBondContact O-N 2.61Å
101K95.3Very high96.4Very high80 Ų8031.7 Ų31.735%0.34815%0.152SC..THydrogen-bonded Turntrans-94.92.8173.1-70.2178.6177.8-82.80113.4A38 L39 Y97 L98 K99 I103A38-K101 VanDerWaalsContact O-CE 3.31Å; A38-K101 WeakPolarHBondContact O-CE 3.48Å; A38-K101 PolarHBondContact O-NZ 3Å; L39-K101 HydrophobicContact CD2-CD 3.85Å; Y97-K101 HydrophobicContact CD1-CD 4.48Å; Y97-K101 HydrophobicContact CE1-CD 3.94Å; Y97-K101 PolarHBondContact O-N 2.76Å; Y97-K101 WeakPolarHBondContact OH-CE 3.47Å; L98-K101 CarbonylContact O-C 3.58Å; L98-K101 WeakPolarHBondContact O-CA 3.49Å; L98-K101 PolarHBondContact O-N 2.98Å; K99-K101 PolarHBondContact O-N 3.26Å; K101-I103 HydrophobicContact CB-CD1 3.71Å; K101-I103 HydrophobicContact CB-CG1 4.04Å; K101-I103 HydrophobicContact CD-CD1 4.19Å; K101-I103 PolarHBondContact O-N 3.43Å
102N94.2Very high96.4Very high54 Ų5431.9 Ų31.929%0.28915%0.153SC..THydrogen-bonded Turntrans56.732.6-172.9-54.1-71.8000113.4L98 K99 C133 I134 K135L98-N102 PolarHBondContact O-N 3.1Å; L98-N102 VanDerWaalsContact O-N 3.08Å; K99-N102 WeakPolarHBondContact O-CA 3.32Å; K99-N102 PolarHBondContact O-N 3.02Å; N102-C133 CarbonylContact O-C 3.57Å; N102-C133 WeakPolarHBondContact O-CA 3.45Å; N102-I134 PolarHBondContact O-N 3Å; N102-K135 HydrophobicContact CB-CG 3.9Å
103I95.1Very high96.4Very high12 Ų1232 Ų326%0.06215%0.153CC..EExtended strand (participates in β ladder)trans-97.5131178.9-65.4163.8000109.2I35 L39 L98 K101 F128 A131 Q132I35-I103 HydrophobicContact CG2-CD1 4.14Å; I35-I103 HydrophobicContact CG2-CG2 4.44Å; L39-I103 HydrophobicContact CD2-CD1 3.76Å; L98-I103 HydrophobicContact CB-CB 4.33Å; L98-I103 HydrophobicContact CD2-CB 4.08Å; L98-I103 HydrophobicContact CD2-CD1 4.34Å; L98-I103 HydrophobicContact CD2-CG2 3.93Å; L98-I103 PolarHBondContact O-N 3.5Å; K101-I103 HydrophobicContact CB-CD1 3.71Å; K101-I103 HydrophobicContact CB-CG1 4.04Å; K101-I103 HydrophobicContact CD-CD1 4.19Å; K101-I103 PolarHBondContact O-N 3.43Å; I103-F128 HydrophobicContact CG2-CE1 4.49Å; I103-A131 HydrophobicContact CG2-CB 4.36Å; I103-Q132 WeakPolarHBondContact CA-O 3.38Å
104V94.4Very high96.4Very high7 Ų731.7 Ų31.74%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-113130.6170.5-174.40000107.8M106 A131 Q132 I134 C164 D165V104-M106 HydrophobicContact CB-CG 4.23Å; V104-M106 HydrophobicContact CG1-CG 3.64Å; V104-A131 VanDerWaalsContact O-CA 3.24Å; V104-A131 WeakPolarHBondContact O-CA 3.49Å; V104-A131 WeakPolarHBondContact O-CB 3.48Å; V104-Q132 PolarHBondContact N-O 3.35Å; V104-Q132 PolarHBondContact O-N 3.25Å; V104-Q132 VanDerWaalsContact O-N 3.08Å; V104-I134 HydrophobicContact CB-CD1 4.35Å; V104-I134 HydrophobicContact CG2-CB 3.92Å; V104-I134 HydrophobicContact CG2-CD1 4.4Å; V104-I134 HydrophobicContact CG2-CG1 4.49Å; V104-C164 VanDerWaalsContact CG1-SG 3.53Å; V104-D165 WeakPolarHBondContact CG1-OD2 3.45Å
105H95.2Very high96.4Very high0 Ų031.7 Ų31.70%015%0.152CC..  trans-75.7-41.9-175.2-169.3-78.7000112.1D107 L108 A126 D127 F128 D165H105-D107 PolarHBondContact ND1-N 3.41Å; H105-D107 PolarHBondContact O-N 3.4Å; H105-L108 HydrophobicContact CB-CD2 3.93Å; H105-L108 HydrophobicContact CB-CG 4Å; H105-A126 PolarHBondContact NE2-O 3.25Å; H105-D127 PolarHBondContact CE1-O 2.88Å; H105-D127 PolarHBondContact NE2-O 3.05Å; H105-F128 AromaticContact CD2-CD1 3.87Å; H105-F128 AromaticContact CD2-CE1 3.7Å; H105-F128 AromaticContact CD2-CZ 3.85Å; H105-D165 WeakPolarHBondContact CB-OD2 3.44Å; H105-D165 PolarHBondContact N-OD2 3.45Å
106M94Very high96.2Very high9 Ų934 Ų344%0.04417%0.166CC..SBendtrans65.6-7.4176.5-59.5179.4-82.100117.2V104 F130 Q132 I134 G145 Y160 D165V104-M106 HydrophobicContact CB-CG 4.23Å; V104-M106 HydrophobicContact CG1-CG 3.64Å; M106-F130 HydrophobicContact CB-CB 4.49Å; M106-F130 WeakPolarHBondContact CE-O 3.48Å; M106-Q132 HydrophobicContact CE-CB 3.48Å; M106-Q132 VanDerWaalsContact CE-CB 3.48Å; M106-Q132 HydrophobicContact CE-CG 3.55Å; M106-Q132 VanDerWaalsContact CE-N 3.26Å; M106-I134 HydrophobicContact CE-CD1 4.37Å; M106-I134 HydrophobicContact SD-CD1 3.98Å; M106-G145 WeakPolarHBondContact O-CA 3.44Å; M106-Y160 HydrophobicContact CB-CE1 4.34Å; M106-Y160 HydrophobicContact CG-CD1 3.84Å; M106-Y160 HydrophobicContact CG-CE1 4.02Å; M106-Y160 HydrophobicContact SD-CD1 3.36Å; M106-Y160 WeakPolarHBondContact SD-CD1 3.43Å; M106-Y160 HydrophobicContact SD-CE1 3.48Å; M106-Y160 WeakPolarHBondContact SD-CE1 3.25Å; M106-Y160 HydrophobicContact SD-CG 4.18Å; M106-D165 PolarHBondContact N-OD1 2.95Å
107D95.4Very high95.8Very high3 Ų332.2 Ų32.22%0.01616%0.162CC..  trans-134.646.3172.5-166.939.7000112.1H105 K109 N112 F130 G145 T146H105-D107 PolarHBondContact ND1-N 3.41Å; H105-D107 PolarHBondContact O-N 3.4Å; D107-K109 PolarHBondContact O-N 2.6Å; D107-K109 IonicContact OD1-NZ 2.84Å; D107-K109 PolarHBondContact OD1-NZ 2.96Å; D107-K109 IonicContact OD2-NZ 3.43Å; D107-K109 PolarHBondContact OD2-NZ 2.96Å; D107-N112 PolarHBondContact O-ND2 3.1Å; D107-N112 PolarHBondContact OD2-ND2 3.47Å; D107-N112 VanDerWaalsContact OD2-ND2 3.08Å; D107-F130 HydrophobicContact CB-CB 4.26Å; D107-F130 HydrophobicContact CB-CD2 3.47Å; D107-F130 VanDerWaalsContact CB-CD2 3.47Å; D107-F130 HydrophobicContact CB-CE2 4.2Å; D107-F130 HydrophobicContact CB-CG 4.2Å; D107-G145 WeakPolarHBondContact OD1-CA 3.46Å; D107-T146 WeakPolarHBondContact OD1-CB 3.22Å; D107-T146 PolarHBondContact OD1-N 3.35Å; D107-T146 PolarHBondContact OD1-OG1 3.26Å
108L97.6Very high95.2Very high2 Ų234 Ų341%0.0118%0.179CC..  trans-69.2123172.5-68.6-179.3000110.1L95 H105 L125 Y149 D165 I169 I172L95-L108 HydrophobicContact CD2-CD1 4.3Å; H105-L108 HydrophobicContact CB-CD2 3.93Å; H105-L108 HydrophobicContact CB-CG 4Å; L108-L125 HydrophobicContact CD2-CD1 4.35Å; L108-L125 HydrophobicContact CD2-CD2 3.73Å; L108-Y149 WeakPolarHBondContact O-CB 3.34Å; L108-D165 HydrophobicContact CD1-CB 3.62Å; L108-I169 HydrophobicContact CD1-CD1 4.43Å; L108-I169 HydrophobicContact CD1-CG1 4.1Å; L108-I172 HydrophobicContact CB-CD1 4.27Å
109K97.2Very high94.3Very high33 Ų3340.5 Ų40.514%0.14321%0.214CC..  trans-159.3160.4177.264-165.8-175.9-148.70109.5D107 Q111 N112 T146 Y149D107-K109 PolarHBondContact O-N 2.6Å; D107-K109 IonicContact OD1-NZ 2.84Å; D107-K109 PolarHBondContact OD1-NZ 2.96Å; D107-K109 IonicContact OD2-NZ 3.43Å; D107-K109 PolarHBondContact OD2-NZ 2.96Å; K109-Q111 HydrophobicContact CG-CB 4.26Å; K109-Q111 PolarHBondContact O-N 3.07Å; K109-N112 WeakPolarHBondContact CE-ND2 3.31Å; K109-N112 WeakPolarHBondContact CE-OD1 3.44Å; K109-N112 HydrophobicContact CG-CB 4.07Å; K109-N112 PolarHBondContact O-N 2.9Å; K109-T146 HydrophobicContact CD-CG2 4.29Å; K109-T146 WeakPolarHBondContact CD-OG1 3.41Å; K109-T146 PolarHBondContact NZ-OG1 3.3Å; K109-Y149 HydrophobicContact CB-CD1 4.38Å; K109-Y149 HydrophobicContact CB-CD2 3.6Å; K109-Y149 HydrophobicContact CB-CE1 4.49Å; K109-Y149 HydrophobicContact CB-CE2 3.72Å; K109-Y149 HydrophobicContact CB-CG 3.96Å
110P97.6Very high93.6Very high0 Ų041.7 Ų41.70%022%0.223CC..G310 helixtrans-56.3-29.5-177.6-25.634.9000114.2L69 G70 N112 I113 Y149 I172 E175L69-P110 HydrophobicContact CB-CB 4.18Å; L69-P110 WeakPolarHBondContact CB-O 3.45Å; L69-P110 HydrophobicContact CG-CB 4.29Å; L69-P110 PolarHBondContact N-O 3.35Å; L69-P110 VanDerWaalsContact N-O 3.16Å; G70-P110 VanDerWaalsContact CA-CB 3.47Å; G70-P110 VanDerWaalsContact N-CB 3.32Å; G70-P110 PolarHBondContact N-O 2.94Å; P110-N112 VanDerWaalsContact C-N 3.29Å; P110-N112 PolarHBondContact O-N 2.64Å; P110-I113 PolarHBondContact O-N 3.22Å; P110-Y149 VanDerWaalsContact CD-CE1 3.4Å; P110-Y149 WeakPolarHBondContact CD-OH 3.47Å; P110-Y149 HydrophobicContact CG-CE1 4.08Å; P110-I172 HydrophobicContact CG-CG1 4.31Å; P110-E175 VanDerWaalsContact CG-OE2 3.32Å; P110-E175 WeakPolarHBondContact CG-OE2 3.28Å
111Q97.2Very high93.3Very high87 Ų8736.5 Ų36.541%0.40720%0.196SC..G310 helixtrans-70.7-23.8178.2-61.476.414.300113.2K109K109-Q111 HydrophobicContact CG-CB 4.26Å; K109-Q111 PolarHBondContact O-N 3.07Å
112N98.2Very high93.2Very high11 Ų1134 Ų346%0.05919%0.189CC..G310 helixtrans-97.19.3178.2-71.4-1.5000112.1D107 K109 P110 A126D107-N112 PolarHBondContact O-ND2 3.1Å; D107-N112 PolarHBondContact OD2-ND2 3.47Å; D107-N112 VanDerWaalsContact OD2-ND2 3.08Å; K109-N112 WeakPolarHBondContact CE-ND2 3.31Å; K109-N112 WeakPolarHBondContact CE-OD1 3.44Å; K109-N112 HydrophobicContact CG-CB 4.07Å; K109-N112 PolarHBondContact O-N 2.9Å; P110-N112 VanDerWaalsContact C-N 3.29Å; P110-N112 PolarHBondContact O-N 2.64Å; N112-A126 PolarHBondContact O-N 3.39Å
113I98.4Very high93.3Very high1 Ų131.5 Ų31.51%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-116.9105.9175.3-55.5172.2000107.4D68 L69 L91 P110 L123 L125 I172D68-I113 CarbonylContact C-O 3.6Å; D68-I113 WeakPolarHBondContact CA-O 3.15Å; L69-I113 HydrophobicContact CB-CB 4.07Å; L69-I113 HydrophobicContact CB-CG2 4.33Å; L69-I113 HydrophobicContact CD2-CB 4.34Å; L69-I113 HydrophobicContact CD2-CD1 4.05Å; L69-I113 HydrophobicContact CD2-CG2 4.33Å; L69-I113 PolarHBondContact N-O 2.89Å; L91-I113 HydrophobicContact CD1-CD1 4.17Å; L91-I113 HydrophobicContact CD2-CD1 4Å; L91-I113 HydrophobicContact CD2-CG1 4.37Å; L91-I113 HydrophobicContact CD2-CG2 4.26Å; P110-I113 PolarHBondContact O-N 3.22Å; I113-L123 HydrophobicContact CG2-CB 4.02Å; I113-L123 HydrophobicContact CG2-CD1 4.12Å; I113-L123 HydrophobicContact CG2-CD2 3.34Å; I113-L123 HydrophobicContact CG2-CG 4.04Å; I113-L125 HydrophobicContact CG1-CD2 3.93Å; I113-I172 HydrophobicContact CD1-CD1 3.89Å; I113-I172 HydrophobicContact CD1-CG2 4.43Å
114L98.3Very high93.4Very high43 Ų4332.1 Ų32.123%0.22518%0.178CC..EExtended strand (participates in β ladder)trans-91.1155.6-177.3-55.5-172.2000111.8V45 C64 G67 D68 L123 K124 A126V45-L114 HydrophobicContact CG2-CD1 4.02Å; V45-L114 HydrophobicContact CG2-CG 4.49Å; C64-L114 HydrophobicContact CB-CB 3.7Å; C64-L114 HydrophobicContact CB-CD1 3.98Å; C64-L114 HydrophobicContact CB-CG 4.5Å; G67-L114 CarbonylContact O-C 3.59Å; G67-L114 WeakPolarHBondContact O-CA 3.32Å; D68-L114 HydrophobicContact CB-CD2 4Å; L114-L123 CarbonylContact O-C 3.39Å; L114-L123 WeakPolarHBondContact O-CA 3.22Å; L114-K124 PolarHBondContact N-O 3.47Å; L114-K124 PolarHBondContact O-N 3.33Å; L114-A126 HydrophobicContact CD1-CB 3.86Å; L114-A126 HydrophobicContact CG-CB 3.76Å
115L97.3Very high93.6Very high0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-110.5134.7177.2-54.5177.2000110.2C64 G66 G67 F72 F87 S117 P121 S122 L123C64-L115 CarbonylContact C-O 3.49Å; C64-L115 WeakPolarHBondContact CB-O 3.32Å; G66-L115 VanDerWaalsContact CA-O 3.28Å; G66-L115 WeakPolarHBondContact CA-O 3.48Å; G66-L115 PolarHBondContact N-O 3.44Å; G67-L115 PolarHBondContact O-N 3.49Å; F72-L115 HydrophobicContact CB-CD1 3.52Å; F72-L115 HydrophobicContact CD1-CD1 4.28Å; F72-L115 HydrophobicContact CD2-CD1 3.54Å; F72-L115 HydrophobicContact CE2-CD1 4.31Å; F72-L115 HydrophobicContact CG-CD1 3.53Å; F87-L115 HydrophobicContact CZ-CD2 4.07Å; L115-S117 VanDerWaalsContact C-N 3.3Å; L115-S117 PolarHBondContact O-N 3.24Å; L115-P121 HydrophobicContact CB-CB 4.14Å; L115-P121 HydrophobicContact CD1-CB 4.24Å; L115-P121 HydrophobicContact CD2-CB 3.96Å; L115-P121 HydrophobicContact CG-CB 4.34Å; L115-S122 CarbonylContact C-O 3.41Å; L115-S122 WeakPolarHBondContact CA-O 3.44Å; L115-L123 HydrophobicContact CD2-CD2 3.17Å; L115-L123 HydrophobicContact CD2-CG 4.23Å
116T93.4Very high93.7Very high53 Ų5332.4 Ų32.433%0.32518%0.181SC..SBendtrans-65.9-32.8178.154.60000113.1G65 S122 K124G65-T116 PolarHBondContact N-O 2.86Å; T116-S122 PolarHBondContact N-O 3.49Å; T116-S122 WeakPolarHBondContact OG1-CB 3.41Å; T116-S122 PolarHBondContact OG1-N 3.06Å; T116-S122 VanDerWaalsContact OG1-N 3.14Å; T116-S122 PolarHBondContact OG1-O 3.14Å; T116-K124 HydrophobicContact CG2-CD 4.18Å; T116-K124 HydrophobicContact CG2-CG 4.24Å
117S89.2Confident93.8Very high38 Ų3834.8 Ų34.827%0.26619%0.194SC..  trans-153.9163.8-176.154.50000110.7L115 N119 N120 P121L115-S117 VanDerWaalsContact C-N 3.3Å; L115-S117 PolarHBondContact O-N 3.24Å; S117-N119 WeakPolarHBondContact CB-O 3.3Å; S117-N119 PolarHBondContact OG-O 3.17Å; S117-N120 PolarHBondContact OG-O 3.43Å; S117-P121 WeakPolarHBondContact O-CB 3.48Å
118T84.2Confident93.8Very high93 Ų9334.8 Ų34.857%0.57119%0.193SC*.SBendtrans-79.5-38170.949.80000111.9
119N78.3Confident93.6Very high136 Ų13635.6 Ų35.673%0.72720%0.202SC*.SBendtrans-93.6121.7176.5-64.2-29.2000109.4S117S117-N119 WeakPolarHBondContact CB-O 3.3Å; S117-N119 PolarHBondContact OG-O 3.17Å
120N79.3Confident93.2Very high86 Ų8637.5 Ų37.546%0.4621%0.211SC..SBendtrans53.261.7-173.7-161.744.1000113.5S117S117-N120 PolarHBondContact OG-O 3.43Å
121P89.8Confident93Very high19 Ų1937.7 Ų37.712%0.12321%0.212CC..  trans-63.6138.5-175.125-33.9000112.8F72 F87 L115 S117F72-P121 HydrophobicContact CE2-CG 4.35Å; F72-P121 HydrophobicContact CZ-CG 4.2Å; F87-P121 HydrophobicContact CE1-CB 4.29Å; F87-P121 HydrophobicContact CE1-CG 3.95Å; F87-P121 HydrophobicContact CZ-CB 4.2Å; F87-P121 HydrophobicContact CZ-CG 3.73Å; L115-P121 HydrophobicContact CB-CB 4.14Å; L115-P121 HydrophobicContact CD1-CB 4.24Å; L115-P121 HydrophobicContact CD2-CB 3.96Å; L115-P121 HydrophobicContact CG-CB 4.34Å; S117-P121 WeakPolarHBondContact O-CB 3.48Å
122S92.5Very high92.7Very high28 Ų2835 Ų3520%0.19620%0.2CC..  trans-109.3138.4161-174.60000109.4H43 L115 T116H43-S122 PolarHBondContact CE1-OG 3.26Å; L115-S122 CarbonylContact C-O 3.41Å; L115-S122 WeakPolarHBondContact CA-O 3.44Å; T116-S122 PolarHBondContact N-O 3.49Å; T116-S122 WeakPolarHBondContact OG1-CB 3.41Å; T116-S122 PolarHBondContact OG1-N 3.06Å; T116-S122 VanDerWaalsContact OG1-N 3.14Å; T116-S122 PolarHBondContact OG1-O 3.14Å
123L96.5Very high92.3Very high1 Ų138.7 Ų38.71%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-80.7145.4178.9-65.3174.6000111.8H43 L69 F87 Q90 L91 I113 L114 L115H43-L123 WeakPolarHBondContact CA-O 3.4Å; H43-L123 PolarHBondContact ND1-O 3.31Å; L69-L123 HydrophobicContact CD1-CD2 4.36Å; F87-L123 VanDerWaalsContact CA-CD1 3.5Å; F87-L123 HydrophobicContact CB-CD1 3.43Å; F87-L123 VanDerWaalsContact CB-CD1 3.43Å; F87-L123 HydrophobicContact CB-CG 4.35Å; F87-L123 HydrophobicContact CD1-CD1 3.76Å; F87-L123 HydrophobicContact CD1-CD2 4.21Å; F87-L123 HydrophobicContact CD1-CG 3.7Å; F87-L123 HydrophobicContact CD2-CD1 4.17Å; F87-L123 HydrophobicContact CD2-CD2 4.26Å; F87-L123 HydrophobicContact CD2-CG 4.46Å; F87-L123 HydrophobicContact CE1-CD2 4.25Å; F87-L123 HydrophobicContact CE1-CG 4.06Å; F87-L123 HydrophobicContact CE2-CD2 4.3Å; F87-L123 HydrophobicContact CG-CD1 3.52Å; F87-L123 HydrophobicContact CG-CD2 4.21Å; F87-L123 HydrophobicContact CG-CG 3.92Å; F87-L123 HydrophobicContact CZ-CD2 4.29Å; F87-L123 VanDerWaalsContact O-CD1 3.32Å; F87-L123 WeakPolarHBondContact O-CD1 3.46Å; Q90-L123 HydrophobicContact CB-CB 4.35Å; L91-L123 HydrophobicContact CD1-CD1 4.07Å; L91-L123 HydrophobicContact CD2-CD1 4.38Å; L91-L123 HydrophobicContact CG-CD1 3.84Å; I113-L123 HydrophobicContact CG2-CB 4.02Å; I113-L123 HydrophobicContact CG2-CD1 4.12Å; I113-L123 HydrophobicContact CG2-CD2 3.34Å; I113-L123 HydrophobicContact CG2-CG 4.04Å; L114-L123 CarbonylContact O-C 3.39Å; L114-L123 WeakPolarHBondContact O-CA 3.22Å; L115-L123 HydrophobicContact CD2-CD2 3.17Å; L115-L123 HydrophobicContact CD2-CG 4.23Å
124K98.3Very high91.7Very high24 Ų2439 Ų3910%0.10423%0.227CC..EExtended strand (participates in β ladder)trans-136.5125.7166.9-62.4-165.2170.8-142.70110.9P42 H43 V45 E62 L114 T116P42-K124 WeakPolarHBondContact O-CE 3.4Å; P42-K124 PolarHBondContact O-NZ 3.2Å; H43-K124 CarbonylContact O-C 3.55Å; H43-K124 WeakPolarHBondContact O-CA 3.16Å; V45-K124 HydrophobicContact CG2-CB 3.65Å; V45-K124 HydrophobicContact CG2-CD 4.47Å; E62-K124 WeakPolarHBondContact OE1-CD 3.36Å; E62-K124 IonicContact OE1-NZ 3.12Å; E62-K124 PolarHBondContact OE1-NZ 2.97Å; E62-K124 IonicContact OE2-NZ 3.73Å; E62-K124 PolarHBondContact OE2-NZ 3.21Å; L114-K124 PolarHBondContact N-O 3.47Å; L114-K124 PolarHBondContact O-N 3.33Å; T116-K124 HydrophobicContact CG2-CD 4.18Å; T116-K124 HydrophobicContact CG2-CG 4.24Å
125L98.4Very high90.7Very high1 Ų144.2 Ų44.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-65.7134.2171-68.3-175.9000110.7H43 I44 V45 L91 A94 L98 L108 I113 F128H43-L125 PolarHBondContact O-N 3.44Å; I44-L125 HydrophobicContact CG1-CB 4.39Å; V45-L125 WeakPolarHBondContact CG2-O 3.47Å; V45-L125 PolarHBondContact N-O 2.89Å; L91-L125 HydrophobicContact CD2-CD2 3.38Å; L91-L125 HydrophobicContact CD2-CG 4.08Å; A94-L125 HydrophobicContact CB-CD1 3.69Å; A94-L125 HydrophobicContact CB-CG 4.13Å; L98-L125 HydrophobicContact CD1-CD1 4.04Å; L108-L125 HydrophobicContact CD2-CD1 4.35Å; L108-L125 HydrophobicContact CD2-CD2 3.73Å; I113-L125 HydrophobicContact CG1-CD2 3.93Å; L125-F128 HydrophobicContact CB-CZ 4.47Å
126A97.7Very high90.1Very high12 Ų1251.9 Ų51.910%0.09928%0.283CS..  trans-133.1167.2-178.700000111.4V45 H105 N112 L114V45-A126 HydrophobicContact CB-CB 4.32Å; V45-A126 HydrophobicContact CG2-CB 3.74Å; H105-A126 PolarHBondContact NE2-O 3.25Å; N112-A126 PolarHBondContact O-N 3.39Å; L114-A126 HydrophobicContact CD1-CB 3.86Å; L114-A126 HydrophobicContact CG-CB 3.76Å
127D95.3Very high89.6Confident60 Ų6053 Ų5332%0.32129%0.29SS..  trans61.975.6174.1-158.417.8000115.7K14 H105 G129K14-D127 IonicContact NZ-OD1 2.9Å; K14-D127 PolarHBondContact NZ-OD1 3Å; H105-D127 PolarHBondContact CE1-O 2.88Å; H105-D127 PolarHBondContact NE2-O 3.05Å; D127-G129 PolarHBondContact O-N 2.9Å
128F95.9Very high89.2Confident2 Ų252.5 Ų52.51%0.00929%0.288CS..G310 helixtrans-84.119.1177.9-73.5-103.2000112.9E32 I35 L36 L39 I44 L98 I103 H105 L125 F130 A131E32-F128 HydrophobicContact CG-CB 4.43Å; I35-F128 HydrophobicContact CG2-CB 4.44Å; I35-F128 HydrophobicContact CG2-CD1 3.93Å; I35-F128 HydrophobicContact CG2-CG 4.42Å; L36-F128 HydrophobicContact CD2-CB 4.19Å; L36-F128 HydrophobicContact CD2-CD2 3.68Å; L36-F128 HydrophobicContact CD2-CE2 4.39Å; L36-F128 HydrophobicContact CD2-CG 4.09Å; L36-F128 HydrophobicContact CG-CB 4.4Å; L39-F128 HydrophobicContact CD1-CD1 3.9Å; L39-F128 HydrophobicContact CD1-CD2 4.49Å; L39-F128 HydrophobicContact CD1-CE1 3.53Å; L39-F128 HydrophobicContact CD1-CE2 4.18Å; L39-F128 HydrophobicContact CD1-CG 4.37Å; L39-F128 HydrophobicContact CD1-CZ 3.69Å; I44-F128 HydrophobicContact CD1-CZ 4.5Å; I44-F128 HydrophobicContact CG2-CE2 3.7Å; I44-F128 HydrophobicContact CG2-CZ 3.74Å; L98-F128 HydrophobicContact CD1-CE1 4Å; L98-F128 HydrophobicContact CD1-CZ 4.24Å; L98-F128 HydrophobicContact CD2-CE1 3.79Å; L98-F128 HydrophobicContact CD2-CZ 4.23Å; I103-F128 HydrophobicContact CG2-CE1 4.49Å; H105-F128 AromaticContact CD2-CD1 3.87Å; H105-F128 AromaticContact CD2-CE1 3.7Å; H105-F128 AromaticContact CD2-CZ 3.85Å; L125-F128 HydrophobicContact CB-CZ 4.47Å; F128-F130 PolarHBondContact O-N 3.42Å; F128-F130 VanDerWaalsContact O-N 3.11Å; F128-A131 HydrophobicContact CB-CB 3.91Å; F128-A131 HydrophobicContact CD1-CB 3.67Å; F128-A131 HydrophobicContact CG-CB 4.25Å; F128-A131 WeakPolarHBondContact O-CB 3.16Å; F128-A131 PolarHBondContact O-N 3.31Å
129G92.3Very high89.2Confident19 Ų1954.8 Ų54.820%0.19629%0.291CS..G310 helixtrans-60.6-22.9-176.100000114.6D127D127-G129 PolarHBondContact O-N 2.9Å
130F90.3Very high89.3Confident74 Ų7451.5 Ų51.533%0.32527%0.27SS..G310 helixtrans-97.8-18.2173.3-67.8-69.3000114M106 D107 F128 R144M106-F130 HydrophobicContact CB-CB 4.49Å; M106-F130 WeakPolarHBondContact CE-O 3.48Å; D107-F130 HydrophobicContact CB-CB 4.26Å; D107-F130 HydrophobicContact CB-CD2 3.47Å; D107-F130 VanDerWaalsContact CB-CD2 3.47Å; D107-F130 HydrophobicContact CB-CE2 4.2Å; D107-F130 HydrophobicContact CB-CG 4.2Å; F128-F130 PolarHBondContact O-N 3.42Å; F128-F130 VanDerWaalsContact O-N 3.11Å; F130-R144 HydrophobicContact CD1-CB 3.75Å; F130-R144 HydrophobicContact CD1-CG 3.93Å; F130-R144 HydrophobicContact CE1-CB 4.29Å; F130-R144 HydrophobicContact CE1-CG 4.38Å; F130-R144 HydrophobicContact CG-CB 4.39Å
131A93.2Very high89Confident3 Ų355.7 Ų55.73%0.02529%0.292CS..  trans-60.8147.9-167.100000113.1I35 I103 V104 F128I35-A131 HydrophobicContact CD1-CB 4.03Å; I35-A131 VanDerWaalsContact CD1-O 3.32Å; I35-A131 WeakPolarHBondContact CD1-O 3.38Å; I103-A131 HydrophobicContact CG2-CB 4.36Å; V104-A131 VanDerWaalsContact O-CA 3.24Å; V104-A131 WeakPolarHBondContact O-CA 3.49Å; V104-A131 WeakPolarHBondContact O-CB 3.48Å; F128-A131 HydrophobicContact CB-CB 3.91Å; F128-A131 HydrophobicContact CD1-CB 3.67Å; F128-A131 HydrophobicContact CG-CB 4.25Å; F128-A131 WeakPolarHBondContact O-CB 3.16Å; F128-A131 PolarHBondContact O-N 3.31Å
132Q91Very high88.5Confident31 Ų3158.8 Ų58.815%0.14531%0.305CS..EExtended strand (participates in β ladder)trans-143.6155.8178.9-70.9176.829.400111.1I103 V104 M106 I134 K140I103-Q132 WeakPolarHBondContact CA-O 3.38Å; V104-Q132 PolarHBondContact N-O 3.35Å; V104-Q132 PolarHBondContact O-N 3.25Å; V104-Q132 VanDerWaalsContact O-N 3.08Å; M106-Q132 HydrophobicContact CE-CB 3.48Å; M106-Q132 VanDerWaalsContact CE-CB 3.48Å; M106-Q132 HydrophobicContact CE-CG 3.55Å; M106-Q132 VanDerWaalsContact CE-N 3.26Å; Q132-I134 HydrophobicContact CB-CD1 4.27Å; Q132-I134 HydrophobicContact CB-CG1 4.01Å; Q132-I134 PolarHBondContact O-N 3.25Å; Q132-K140 VanDerWaalsContact OE1-CE 3.26Å
133C89.8Confident88Confident89 Ų8961.3 Ų61.360%0.60132%0.319SS*.EExtended strand (participates in β ladder)trans-79.2108.9166.8-62.70000109.6N102N102-C133 CarbonylContact O-C 3.57Å; N102-C133 WeakPolarHBondContact O-CA 3.45Å
134I84.3Confident87.3Confident7 Ų762.4 Ų62.44%0.03632%0.323CS..  trans-127.9111.2-179.4-58.1178.8000107.9N102 V104 M106 Q132 E136 A138N102-I134 PolarHBondContact O-N 3Å; V104-I134 HydrophobicContact CB-CD1 4.35Å; V104-I134 HydrophobicContact CG2-CB 3.92Å; V104-I134 HydrophobicContact CG2-CD1 4.4Å; V104-I134 HydrophobicContact CG2-CG1 4.49Å; M106-I134 HydrophobicContact CE-CD1 4.37Å; M106-I134 HydrophobicContact SD-CD1 3.98Å; Q132-I134 HydrophobicContact CB-CD1 4.27Å; Q132-I134 HydrophobicContact CB-CG1 4.01Å; Q132-I134 PolarHBondContact O-N 3.25Å; I134-E136 WeakPolarHBondContact CG2-O 3.28Å; I134-A138 HydrophobicContact CG2-CB 4.46Å
135K79Confident86.6Confident153 Ų15362.3 Ų62.367%0.66533%0.329SS*.SBendtrans-82.5-42.4176.6-69.2-174.7176.4-177.70112N102N102-K135 HydrophobicContact CB-CG 3.9Å
136E83Confident86.3Confident160 Ų16064.5 Ų64.575%0.74834%0.343SS*.SBendtrans-132.4162.6-174.1-67.1174.1-168.300109.7I134 A138I134-E136 WeakPolarHBondContact CG2-O 3.28Å; E136-A138 PolarHBondContact O-N 3.39Å
137T82.4Confident86.1Confident76 Ų7665.6 Ų65.647%0.46635%0.347SS..  trans-51.3124.2177.8-53.80000110.9F159 Y160 H161T137-F159 HydrophobicContact CG2-CB 4.43Å; T137-F159 HydrophobicContact CG2-CD1 4.39Å; T137-Y160 WeakPolarHBondContact CA-O 3.34Å; T137-H161 PolarHBondContact OG1-CD2 3.43Å
138A82.6Confident86Confident28 Ų2865.2 Ų65.223%0.23134%0.344CS..EExtended strand (participates in β ladder)trans-126.2132.4-176.100000110.8I134 E136 Y160I134-A138 HydrophobicContact CG2-CB 4.46Å; E136-A138 PolarHBondContact O-N 3.39Å; A138-Y160 PolarHBondContact N-O 2.91Å; A138-Y160 VanDerWaalsContact N-O 3.13Å; A138-Y160 PolarHBondContact O-N 3.29Å
139K83Confident86Confident141 Ų14165.7 Ų65.761%0.61335%0.346SS*.EExtended strand (participates in β ladder)trans-74.8132.9165.4-161.4169.2-175.3170.70108.8F159K139-F159 HydrophobicContact CB-CD1 3.75Å; K139-F159 HydrophobicContact CB-CE1 3.57Å; K139-F159 HydrophobicContact CB-CZ 4.42Å; K139-F159 HydrophobicContact CD-CE1 3.95Å; K139-F159 HydrophobicContact CD-CZ 3.95Å; K139-F159 HydrophobicContact CG-CD1 4.1Å; K139-F159 HydrophobicContact CG-CE1 3.89Å; K139-F159 HydrophobicContact CG-CZ 4.31Å
140K80.5Confident86.1Confident68 Ų6865.4 Ų65.430%0.29634%0.34SS..  trans-124.1148.3174.5-58.9-73.7176.8162.20109.1Q132 E142 G158 Y160Q132-K140 VanDerWaalsContact OE1-CE 3.26Å; K140-E142 PolarHBondContact O-N 3.44Å; K140-G158 PolarHBondContact N-O 2.91Å; K140-Y160 HydrophobicContact CB-CD2 3.77Å; K140-Y160 HydrophobicContact CB-CE2 3.62Å; K140-Y160 HydrophobicContact CG-CD2 3.5Å; K140-Y160 VanDerWaalsContact CG-CD2 3.5Å; K140-Y160 HydrophobicContact CG-CE2 3.81Å; K140-Y160 HydrophobicContact CG-CG 4.35Å
141N73.1Confident86.3Confident173 Ų17361.9 Ų61.993%0.92532%0.324SS*.SBendtrans-75.1-17.5179.4-64.2-13.5000112.4
142E80.4Confident86.3Confident85 Ų8562 Ų6240%0.39733%0.325SS..SBendtrans-115.2130.6-175.8-64.7-179.6165.900110.9K140 R144 Y160K140-E142 PolarHBondContact O-N 3.44Å; E142-R144 HydrophobicContact CB-CG 4.35Å; E142-R144 IonicContact OE2-CZ 3.44Å; E142-R144 IonicContact OE2-NE 3.13Å; E142-R144 PolarHBondContact OE2-NE 3.08Å; E142-R144 VanDerWaalsContact OE2-NE 3.13Å; E142-R144 IonicContact OE2-NH2 3.02Å; E142-R144 PolarHBondContact OE2-NH2 2.98Å; E142-Y160 PolarHBondContact O-OH 2.83Å
143V82.1Confident86.3Confident81 Ų8161 Ų6149%0.49132%0.32SS..  trans-81.1121.4165.9176.90000108.1M150 I154 Y160V143-M150 HydrophobicContact CG1-CE 3.48Å; V143-M150 VanDerWaalsContact CG1-CE 3.48Å; V143-M150 HydrophobicContact CG1-SD 3.48Å; V143-M150 WeakPolarHBondContact CG1-SD 3.42Å; V143-I154 HydrophobicContact CG1-CG2 4.22Å; V143-Y160 WeakPolarHBondContact CA-OH 3.39Å
144R81.2Confident86.5Confident23 Ų2357 Ų579%0.08729%0.293CS..  trans-125.6147.3-174.5-67.2-179.9172.6-155.80.8109.1N28 F130 E142 M150 Y160N28-R144 PolarHBondContact OD1-NH2 3.13Å; F130-R144 HydrophobicContact CD1-CB 3.75Å; F130-R144 HydrophobicContact CD1-CG 3.93Å; F130-R144 HydrophobicContact CE1-CB 4.29Å; F130-R144 HydrophobicContact CE1-CG 4.38Å; F130-R144 HydrophobicContact CG-CB 4.39Å; E142-R144 HydrophobicContact CB-CG 4.35Å; E142-R144 IonicContact OE2-CZ 3.44Å; E142-R144 IonicContact OE2-NE 3.13Å; E142-R144 PolarHBondContact OE2-NE 3.08Å; E142-R144 VanDerWaalsContact OE2-NE 3.13Å; E142-R144 IonicContact OE2-NH2 3.02Å; E142-R144 PolarHBondContact OE2-NH2 2.98Å; R144-M150 WeakPolarHBondContact O-CE 3.35Å; R144-Y160 WeakPolarHBondContact CB-OH 3.46Å; R144-Y160 PolarHBondContact N-OH 3.07Å
145G83.4Confident86.8Confident22 Ų2259.3 Ų59.323%0.22730%0.303CS..SBendtrans103.4171.5-179.400000113.7M106 D107 M150M106-G145 WeakPolarHBondContact O-CA 3.44Å; D107-G145 WeakPolarHBondContact OD1-CA 3.46Å; G145-M150 VanDerWaalsContact O-CE 3.26Å; G145-M150 WeakPolarHBondContact O-CE 3.4Å
146T91.6Very high87.2Confident48 Ų4854.9 Ų54.929%0.29429%0.29SS..  trans-85.5118.2-177.6-56.60000110.5D107 K109 L148 Y149 M150D107-T146 WeakPolarHBondContact OD1-CB 3.22Å; D107-T146 PolarHBondContact OD1-N 3.35Å; D107-T146 PolarHBondContact OD1-OG1 3.26Å; K109-T146 HydrophobicContact CD-CG2 4.29Å; K109-T146 WeakPolarHBondContact CD-OG1 3.41Å; K109-T146 PolarHBondContact NZ-OG1 3.3Å; T146-L148 PolarHBondContact O-N 3.42Å; T146-Y149 HydrophobicContact CG2-CD2 3.97Å; T146-Y149 HydrophobicContact CG2-CE2 4.3Å; T146-Y149 PolarHBondContact O-N 2.92Å; T146-M150 PolarHBondContact O-N 3.21Å; T146-M150 VanDerWaalsContact O-N 3.15Å
147L93.3Very high87.3Confident35 Ų3552.8 Ų52.818%0.18328%0.281CS..G310 helixtrans-47.5-39.3-171.1-172.766.1000114.6Y149 M150 F155 I188 L191 K192 L195L147-Y149 PolarHBondContact O-N 3.31Å; L147-M150 HydrophobicContact CD1-SD 4.27Å; L147-M150 WeakPolarHBondContact O-CB 3.5Å; L147-M150 PolarHBondContact O-N 3.11Å; L147-F155 HydrophobicContact CD1-CD2 3.55Å; L147-F155 HydrophobicContact CD1-CE2 3.81Å; L147-F155 HydrophobicContact CD1-CG 4.21Å; L147-I188 HydrophobicContact CD2-CG2 3.95Å; L147-L191 HydrophobicContact CB-CD2 4.39Å; L147-L191 HydrophobicContact CD2-CD2 3.86Å; L147-L191 HydrophobicContact CD2-CG 4.2Å; L147-L191 HydrophobicContact CG-CD2 3.76Å; L147-L191 HydrophobicContact CG-CG 4.23Å; L147-K192 HydrophobicContact CD2-CG 3.83Å; L147-L195 HydrophobicContact CD1-CD1 3.55Å; L147-L195 HydrophobicContact CG-CD1 4.08Å
148L94.3Very high87.4Confident52 Ų5249.6 Ų49.627%0.27226%0.263SS..G310 helixtrans-62.5-28.3-178.4-171.461.8000114.1T146 T181 Y183 L191T146-L148 PolarHBondContact O-N 3.42Å; L148-T181 HydrophobicContact CD2-CG2 3.87Å; L148-T181 HydrophobicContact CG-CG2 4.11Å; L148-Y183 HydrophobicContact CD1-CD2 4.25Å; L148-L191 HydrophobicContact CB-CD2 4.47Å; L148-L191 HydrophobicContact CD1-CD2 4.07Å
149Y95.8Very high87.7Confident12 Ų1251.7 Ų51.75%0.04727%0.267CS..G310 helixtrans-110.7-1.1-178.3-53.2-88.6000112.2L108 K109 P110 T146 L147 S168 I171 I172 E175 T181L108-Y149 WeakPolarHBondContact O-CB 3.34Å; K109-Y149 HydrophobicContact CB-CD1 4.38Å; K109-Y149 HydrophobicContact CB-CD2 3.6Å; K109-Y149 HydrophobicContact CB-CE1 4.49Å; K109-Y149 HydrophobicContact CB-CE2 3.72Å; K109-Y149 HydrophobicContact CB-CG 3.96Å; P110-Y149 VanDerWaalsContact CD-CE1 3.4Å; P110-Y149 WeakPolarHBondContact CD-OH 3.47Å; P110-Y149 HydrophobicContact CG-CE1 4.08Å; T146-Y149 HydrophobicContact CG2-CD2 3.97Å; T146-Y149 HydrophobicContact CG2-CE2 4.3Å; T146-Y149 PolarHBondContact O-N 2.92Å; L147-Y149 PolarHBondContact O-N 3.31Å; Y149-S168 WeakPolarHBondContact O-CA 3.27Å; Y149-S168 WeakPolarHBondContact O-CB 3.14Å; Y149-S168 PolarHBondContact O-OG 3.35Å; Y149-I171 HydrophobicContact CD1-CB 4.02Å; Y149-I171 HydrophobicContact CD1-CG2 3.51Å; Y149-I171 HydrophobicContact CE1-CG2 3.87Å; Y149-I171 HydrophobicContact CG-CG2 4.38Å; Y149-I172 HydrophobicContact CD1-CG1 4Å; Y149-I172 HydrophobicContact CE1-CG1 4.15Å; Y149-E175 PolarHBondContact OH-OE2 2.98Å; Y149-T181 HydrophobicContact CE1-CG2 4.33Å
150M94.2Very high87.8Confident13 Ų1345 Ų456%0.06424%0.238CC..  trans-73.2138.4-175.9-172.2-177.1-68.300110.6V143 R144 G145 T146 L147 I154 F155 W167V143-M150 HydrophobicContact CG1-CE 3.48Å; V143-M150 VanDerWaalsContact CG1-CE 3.48Å; V143-M150 HydrophobicContact CG1-SD 3.48Å; V143-M150 WeakPolarHBondContact CG1-SD 3.42Å; R144-M150 WeakPolarHBondContact O-CE 3.35Å; G145-M150 VanDerWaalsContact O-CE 3.26Å; G145-M150 WeakPolarHBondContact O-CE 3.4Å; T146-M150 PolarHBondContact O-N 3.21Å; T146-M150 VanDerWaalsContact O-N 3.15Å; L147-M150 HydrophobicContact CD1-SD 4.27Å; L147-M150 WeakPolarHBondContact O-CB 3.5Å; L147-M150 PolarHBondContact O-N 3.11Å; M150-I154 HydrophobicContact CG-CB 3.97Å; M150-I154 HydrophobicContact CG-CD1 4.49Å; M150-I154 HydrophobicContact CG-CG2 3.94Å; M150-I154 HydrophobicContact SD-CB 4.36Å; M150-I154 HydrophobicContact SD-CG2 3.88Å; M150-F155 HydrophobicContact SD-CB 3.98Å; M150-F155 HydrophobicContact SD-CD2 4.35Å; M150-W167 PolarHBondContact O-NE1 3.31Å
151A93.9Very high88.1Confident0 Ų044.5 Ų44.50%024%0.236CC..  trans-69.3140.9175.500000110.9E153 I154 F155 C164 W167A151-E153 VanDerWaalsContact C-N 3.27Å; A151-E153 VanDerWaalsContact CB-CD 3.42Å; A151-E153 VanDerWaalsContact CB-OE1 3.28Å; A151-E153 WeakPolarHBondContact CB-OE1 3.5Å; A151-E153 VanDerWaalsContact CB-OE2 3.28Å; A151-E153 WeakPolarHBondContact CB-OE2 3.48Å; A151-E153 PolarHBondContact O-N 3.46Å; A151-I154 HydrophobicContact CB-CD1 4.16Å; A151-I154 HydrophobicContact CB-CG1 4.42Å; A151-I154 WeakPolarHBondContact O-CB 3.48Å; A151-I154 PolarHBondContact O-N 3.46Å; A151-I154 VanDerWaalsContact O-N 3.1Å; A151-F155 PolarHBondContact O-N 3.36Å; A151-C164 HydrophobicContact CB-CB 3.96Å; A151-W167 VanDerWaalsContact CA-CD1 3.4Å; A151-W167 HydrophobicContact CB-CB 3.85Å; A151-W167 HydrophobicContact CB-CD2 4.47Å; A151-W167 HydrophobicContact CB-CG 3.8Å
152P93.2Very high88.7Confident5 Ų536.9 Ų36.93%0.03220%0.196CC..Hα-helixtrans-60.8-34.4-173.323.7-34000112.9I154 F155 C156 W167 L195 R224P152-I154 VanDerWaalsContact C-N 3.29Å; P152-I154 PolarHBondContact O-N 3.23Å; P152-F155 PolarHBondContact O-N 3.02Å; P152-C156 WeakPolarHBondContact O-CB 3.22Å; P152-C156 PolarHBondContact O-N 3.39Å; P152-C156 PolarHBondContact O-SG 3.48Å; P152-W167 HydrophobicContact CG-CE3 4.47Å; P152-W167 HydrophobicContact CG-CH2 4.04Å; P152-W167 HydrophobicContact CG-CZ2 4.26Å; P152-W167 HydrophobicContact CG-CZ3 4.15Å; P152-L195 HydrophobicContact CB-CD2 4.41Å; P152-R224 HydrophobicContact CG-CB 4.11Å; P152-R224 HydrophobicContact CG-CG 4.34Å
153E92.2Very high89.3Confident11 Ų1133 Ų335%0.05118%0.178CC..Hα-helixtrans-64-31.7177.768.1-83.7-161.300113.2A151 E157 G158 P226 R229A151-E153 VanDerWaalsContact C-N 3.27Å; A151-E153 VanDerWaalsContact CB-CD 3.42Å; A151-E153 VanDerWaalsContact CB-OE1 3.28Å; A151-E153 WeakPolarHBondContact CB-OE1 3.5Å; A151-E153 VanDerWaalsContact CB-OE2 3.28Å; A151-E153 WeakPolarHBondContact CB-OE2 3.48Å; A151-E153 PolarHBondContact O-N 3.46Å; E153-E157 WeakPolarHBondContact O-CB 3.36Å; E153-E157 PolarHBondContact O-N 3.18Å; E153-G158 PolarHBondContact O-N 2.88Å; E153-P226 HydrophobicContact CB-CG 3.96Å; E153-P226 VanDerWaalsContact CD-CG 3.45Å; E153-P226 HydrophobicContact CG-CG 3.63Å; E153-R229 IonicContact OE1-CZ 2.73Å; E153-R229 IonicContact OE1-NH1 3.16Å; E153-R229 PolarHBondContact OE1-NH1 3.21Å; E153-R229 IonicContact OE1-NH2 2.7Å; E153-R229 PolarHBondContact OE1-NH2 3.43Å; E153-R229 IonicContact OE2-CZ 3.29Å; E153-R229 IonicContact OE2-NH1 2.61Å; E153-R229 IonicContact OE2-NH2 3.64Å; E153-R229 PolarHBondContact OE2-NH2 3.47Å
154I92.4Very high89.9Confident5 Ų529.2 Ų29.23%0.02616%0.155CC..Hα-helixtrans-68.2-45.8175.6-66.1170.5000109V143 M150 A151 P152 G158 F159 Y160 C164V143-I154 HydrophobicContact CG1-CG2 4.22Å; M150-I154 HydrophobicContact CG-CB 3.97Å; M150-I154 HydrophobicContact CG-CD1 4.49Å; M150-I154 HydrophobicContact CG-CG2 3.94Å; M150-I154 HydrophobicContact SD-CB 4.36Å; M150-I154 HydrophobicContact SD-CG2 3.88Å; A151-I154 HydrophobicContact CB-CD1 4.16Å; A151-I154 HydrophobicContact CB-CG1 4.42Å; A151-I154 WeakPolarHBondContact O-CB 3.48Å; A151-I154 PolarHBondContact O-N 3.46Å; A151-I154 VanDerWaalsContact O-N 3.1Å; P152-I154 VanDerWaalsContact C-N 3.29Å; P152-I154 PolarHBondContact O-N 3.23Å; I154-G158 VanDerWaalsContact O-CA 3.28Å; I154-G158 WeakPolarHBondContact O-CA 3.46Å; I154-G158 PolarHBondContact O-N 3.4Å; I154-F159 WeakPolarHBondContact CG1-O 3.04Å; I154-Y160 HydrophobicContact CD1-CD1 3.66Å; I154-Y160 HydrophobicContact CD1-CE1 3.72Å; I154-Y160 HydrophobicContact CD1-CG 4.49Å; I154-Y160 HydrophobicContact CG1-CD1 3.88Å; I154-Y160 HydrophobicContact CG1-CE1 4.01Å; I154-Y160 HydrophobicContact CG1-CG 4.27Å; I154-Y160 HydrophobicContact CG2-CD1 4.46Å; I154-Y160 HydrophobicContact CG2-CE1 3.78Å; I154-Y160 HydrophobicContact CG2-CE2 4.08Å; I154-C164 HydrophobicContact CD1-CB 3.56Å; I154-C164 HydrophobicContact CG1-CB 4.38Å
155F90.5Very high90.6Very high55 Ų5528.3 Ų28.324%0.24115%0.152CC..Hα-helixtrans-70.4-44-177.8-176.4-104.5000112.6L147 M150 A151 P152 K192 L195 V196L147-F155 HydrophobicContact CD1-CD2 3.55Å; L147-F155 HydrophobicContact CD1-CE2 3.81Å; L147-F155 HydrophobicContact CD1-CG 4.21Å; M150-F155 HydrophobicContact SD-CB 3.98Å; M150-F155 HydrophobicContact SD-CD2 4.35Å; A151-F155 PolarHBondContact O-N 3.36Å; P152-F155 PolarHBondContact O-N 3.02Å; F155-K192 HydrophobicContact CE1-CB 4.13Å; F155-K192 HydrophobicContact CE1-CG 4.33Å; F155-K192 HydrophobicContact CE2-CG 4.05Å; F155-K192 HydrophobicContact CZ-CB 3.77Å; F155-K192 HydrophobicContact CZ-CD 4.12Å; F155-K192 HydrophobicContact CZ-CG 3.55Å; F155-L195 HydrophobicContact CB-CD1 4.35Å; F155-L195 HydrophobicContact CD1-CB 3.76Å; F155-L195 HydrophobicContact CD1-CD1 4.08Å; F155-L195 HydrophobicContact CE1-CB 4.23Å; F155-L195 HydrophobicContact CG-CB 4.48Å; F155-L195 HydrophobicContact CG-CD1 4.07Å; F155-V196 HydrophobicContact CD1-CG2 4.27Å; F155-V196 HydrophobicContact CE1-CG2 3.87Å
156C88.1Confident91.3Very high60 Ų6027.2 Ų27.241%0.40514%0.141SC..Hα-helixtrans-78.7-37-173.8-61.10000112.7P152 L195P152-C156 WeakPolarHBondContact O-CB 3.22Å; P152-C156 PolarHBondContact O-N 3.39Å; P152-C156 PolarHBondContact O-SG 3.48Å; C156-L195 PolarHBondContact SG-O 3.45Å
157E84.7Confident91.6Very high116 Ų11625 Ų2554%0.54213%0.128SC..Hα-helixtrans-126.3-11.4-166.3-55.3175.2-160.600113.7E153 F159E153-E157 WeakPolarHBondContact O-CB 3.36Å; E153-E157 PolarHBondContact O-N 3.18Å; E157-F159 HydrophobicContact CB-CD2 3.4Å; E157-F159 HydrophobicContact CB-CE2 3.93Å; E157-F159 HydrophobicContact CB-CG 4.42Å; E157-F159 HydrophobicContact CG-CD2 4.39Å; E157-F159 PolarHBondContact O-N 3.39Å; E157-F159 VanDerWaalsContact OE2-CD2 3.24Å; E157-F159 WeakPolarHBondContact OE2-CD2 3.1Å
158G85.7Confident91.8Very high9 Ų923.6 Ų23.69%0.09312%0.121CC..  trans7017.2-17500000113.4K140 E153 I154K140-G158 PolarHBondContact N-O 2.91Å; E153-G158 PolarHBondContact O-N 2.88Å; I154-G158 VanDerWaalsContact O-CA 3.28Å; I154-G158 WeakPolarHBondContact O-CA 3.46Å; I154-G158 PolarHBondContact O-N 3.4Å
159F87.4Confident92Very high71 Ų7121.2 Ų21.231%0.31111%0.108SC..EExtended strand (participates in β ladder)trans-90.9128.6176-71.9-71.2000110.9T137 K139 I154 E157T137-F159 HydrophobicContact CG2-CB 4.43Å; T137-F159 HydrophobicContact CG2-CD1 4.39Å; K139-F159 HydrophobicContact CB-CD1 3.75Å; K139-F159 HydrophobicContact CB-CE1 3.57Å; K139-F159 HydrophobicContact CB-CZ 4.42Å; K139-F159 HydrophobicContact CD-CE1 3.95Å; K139-F159 HydrophobicContact CD-CZ 3.95Å; K139-F159 HydrophobicContact CG-CD1 4.1Å; K139-F159 HydrophobicContact CG-CE1 3.89Å; K139-F159 HydrophobicContact CG-CZ 4.31Å; I154-F159 WeakPolarHBondContact CG1-O 3.04Å; E157-F159 HydrophobicContact CB-CD2 3.4Å; E157-F159 HydrophobicContact CB-CE2 3.93Å; E157-F159 HydrophobicContact CB-CG 4.42Å; E157-F159 HydrophobicContact CG-CD2 4.39Å; E157-F159 PolarHBondContact O-N 3.39Å; E157-F159 VanDerWaalsContact OE2-CD2 3.24Å; E157-F159 WeakPolarHBondContact OE2-CD2 3.1Å
160Y85.9Confident92.1Very high1 Ų120.7 Ų20.70%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-100.6100.9171.4-69.4-98.8000108.1M106 T137 A138 K140 E142 V143 R144 I154M106-Y160 HydrophobicContact CB-CE1 4.34Å; M106-Y160 HydrophobicContact CG-CD1 3.84Å; M106-Y160 HydrophobicContact CG-CE1 4.02Å; M106-Y160 HydrophobicContact SD-CD1 3.36Å; M106-Y160 WeakPolarHBondContact SD-CD1 3.43Å; M106-Y160 HydrophobicContact SD-CE1 3.48Å; M106-Y160 WeakPolarHBondContact SD-CE1 3.25Å; M106-Y160 HydrophobicContact SD-CG 4.18Å; T137-Y160 WeakPolarHBondContact CA-O 3.34Å; A138-Y160 PolarHBondContact N-O 2.91Å; A138-Y160 VanDerWaalsContact N-O 3.13Å; A138-Y160 PolarHBondContact O-N 3.29Å; K140-Y160 HydrophobicContact CB-CD2 3.77Å; K140-Y160 HydrophobicContact CB-CE2 3.62Å; K140-Y160 HydrophobicContact CG-CD2 3.5Å; K140-Y160 VanDerWaalsContact CG-CD2 3.5Å; K140-Y160 HydrophobicContact CG-CE2 3.81Å; K140-Y160 HydrophobicContact CG-CG 4.35Å; E142-Y160 PolarHBondContact O-OH 2.83Å; V143-Y160 WeakPolarHBondContact CA-OH 3.39Å; R144-Y160 WeakPolarHBondContact CB-OH 3.46Å; R144-Y160 PolarHBondContact N-OH 3.07Å; I154-Y160 HydrophobicContact CD1-CD1 3.66Å; I154-Y160 HydrophobicContact CD1-CE1 3.72Å; I154-Y160 HydrophobicContact CD1-CG 4.49Å; I154-Y160 HydrophobicContact CG1-CD1 3.88Å; I154-Y160 HydrophobicContact CG1-CE1 4.01Å; I154-Y160 HydrophobicContact CG1-CG 4.27Å; I154-Y160 HydrophobicContact CG2-CD1 4.46Å; I154-Y160 HydrophobicContact CG2-CE1 3.78Å; I154-Y160 HydrophobicContact CG2-CE2 4.08Å
161H87.3Confident92.2Very high58 Ų5820 Ų2027%0.26910%0.103SC..  trans-83.1141.7168.6-167.9-91.9000109.1T137 S163 C164 P226T137-H161 PolarHBondContact OG1-CD2 3.43Å; H161-S163 PolarHBondContact CE1-OG 3.29Å; H161-S163 PolarHBondContact ND1-N 3.44Å; H161-S163 PolarHBondContact ND1-OG 2.92Å; H161-S163 PolarHBondContact O-N 3.44Å; H161-C164 WeakPolarHBondContact O-CB 3.4Å; H161-C164 PolarHBondContact O-N 3.28Å; H161-C164 PolarHBondContact O-SG 3.36Å; H161-P226 HydrophobicContact CB-CB 4.03Å; H161-P226 HydrophobicContact CB-CG 4.38Å
162P84.6Confident92.4Very high13 Ų1320.2 Ų20.28%0.08410%0.104CC..THydrogen-bonded Turntrans-53.1-28.2178.4-29.235.9000114.2C164 H232P162-C164 VanDerWaalsContact C-N 3.26Å; P162-C164 PolarHBondContact O-N 3.2Å; P162-H232 PolarHBondContact O-CE1 3.46Å
163S93Very high92.6Very high2 Ų220 Ų201%0.01410%0.103CC..THydrogen-bonded Turntrans-807.6177.569.90000114.7H161 D165 L166 W167 R229H161-S163 PolarHBondContact CE1-OG 3.29Å; H161-S163 PolarHBondContact ND1-N 3.44Å; H161-S163 PolarHBondContact ND1-OG 2.92Å; H161-S163 PolarHBondContact O-N 3.44Å; S163-D165 VanDerWaalsContact C-N 3.29Å; S163-D165 PolarHBondContact O-N 3.12Å; S163-L166 WeakPolarHBondContact O-CB 3.45Å; S163-L166 PolarHBondContact O-N 3.28Å; S163-L166 VanDerWaalsContact O-N 3.13Å; S163-W167 PolarHBondContact O-N 3.15Å; S163-R229 PolarHBondContact O-NH1 3.22Å
164C94.8Very high92.9Very high2 Ų220.4 Ų20.41%0.01410%0.104CC..Hα-helixtrans-63.3-36.5176.966.50000112.3V104 A151 I154 H161 P162 L166 W167 S168V104-C164 VanDerWaalsContact CG1-SG 3.53Å; A151-C164 HydrophobicContact CB-CB 3.96Å; I154-C164 HydrophobicContact CD1-CB 3.56Å; I154-C164 HydrophobicContact CG1-CB 4.38Å; H161-C164 WeakPolarHBondContact O-CB 3.4Å; H161-C164 PolarHBondContact O-N 3.28Å; H161-C164 PolarHBondContact O-SG 3.36Å; P162-C164 VanDerWaalsContact C-N 3.26Å; P162-C164 PolarHBondContact O-N 3.2Å; C164-L166 PolarHBondContact O-N 2.91Å; C164-W167 WeakPolarHBondContact O-CB 3.42Å; C164-W167 PolarHBondContact O-N 3.12Å; C164-W167 VanDerWaalsContact O-N 3.15Å; C164-S168 PolarHBondContact O-N 3.46Å; C164-S168 PolarHBondContact O-OG 2.87Å
165D96.2Very high93.1Very high4 Ų421.6 Ų21.62%0.02111%0.109CC..Hα-helixtrans-63.9-30.3175.1-79.4-11000111.5V104 H105 M106 L108 S163 S168 I169V104-D165 WeakPolarHBondContact CG1-OD2 3.45Å; H105-D165 WeakPolarHBondContact CB-OD2 3.44Å; H105-D165 PolarHBondContact N-OD2 3.45Å; M106-D165 PolarHBondContact N-OD1 2.95Å; L108-D165 HydrophobicContact CD1-CB 3.62Å; S163-D165 VanDerWaalsContact C-N 3.29Å; S163-D165 PolarHBondContact O-N 3.12Å; D165-S168 PolarHBondContact O-N 2.78Å; D165-I169 WeakPolarHBondContact O-CG1 3.44Å; D165-I169 PolarHBondContact O-N 3.08Å
166L97.9Very high93.3Very high0 Ų019.4 Ų19.40%010%0.1CC..Hα-helixtrans-68.8-35.5175.3-60.6-179.2000111.9L95 S163 C164 I169 G170 L221 L230 F235L95-L166 HydrophobicContact CD1-CD2 3.83Å; S163-L166 WeakPolarHBondContact O-CB 3.45Å; S163-L166 PolarHBondContact O-N 3.28Å; S163-L166 VanDerWaalsContact O-N 3.13Å; C164-L166 PolarHBondContact O-N 2.91Å; L166-I169 PolarHBondContact O-N 3.06Å; L166-G170 PolarHBondContact O-N 3.11Å; L166-L221 HydrophobicContact CB-CD2 3.87Å; L166-L221 HydrophobicContact CD2-CD2 4.49Å; L166-L230 WeakPolarHBondContact CD1-O 3.44Å; L166-F235 HydrophobicContact CD1-CB 4.33Å; L166-F235 HydrophobicContact CD2-CB 4.19Å; L166-F235 HydrophobicContact CD2-CD1 3.6Å; L166-F235 HydrophobicContact CD2-CD2 4.37Å; L166-F235 HydrophobicContact CD2-CE1 4.03Å; L166-F235 HydrophobicContact CD2-CG 3.79Å
167W97.3Very high93.7Very high1 Ų116.8 Ų16.80%0.0048%0.083CC..Hα-helixtrans-61.8-48.2170.4171.7-83.3000111.2M150 A151 P152 S163 C164 I169 G170 I171 I202 L222 R224M150-W167 PolarHBondContact O-NE1 3.31Å; A151-W167 VanDerWaalsContact CA-CD1 3.4Å; A151-W167 HydrophobicContact CB-CB 3.85Å; A151-W167 HydrophobicContact CB-CD2 4.47Å; A151-W167 HydrophobicContact CB-CG 3.8Å; P152-W167 HydrophobicContact CG-CE3 4.47Å; P152-W167 HydrophobicContact CG-CH2 4.04Å; P152-W167 HydrophobicContact CG-CZ2 4.26Å; P152-W167 HydrophobicContact CG-CZ3 4.15Å; S163-W167 PolarHBondContact O-N 3.15Å; C164-W167 WeakPolarHBondContact O-CB 3.42Å; C164-W167 PolarHBondContact O-N 3.12Å; C164-W167 VanDerWaalsContact O-N 3.15Å; W167-I169 VanDerWaalsContact C-N 3.27Å; W167-I169 PolarHBondContact O-N 3.34Å; W167-G170 WeakPolarHBondContact O-CA 3.23Å; W167-G170 PolarHBondContact O-N 2.89Å; W167-I171 HydrophobicContact CZ2-CD1 4.37Å; W167-I171 PolarHBondContact O-N 2.87Å; W167-I202 HydrophobicContact CH2-CD1 4.21Å; W167-L222 HydrophobicContact CD2-CD2 4.47Å; W167-L222 HydrophobicContact CE3-CD2 4.44Å; W167-R224 HydrophobicContact CH2-CG 3.95Å; W167-R224 HydrophobicContact CZ3-CB 4.47Å; W167-R224 HydrophobicContact CZ3-CG 3.98Å
168S97.6Very high94.1Very high6 Ų612.6 Ų12.64%0.0426%0.063CC..Hα-helixtrans-58.7-40.2178.3-560000111.7Y149 C164 D165 G170 I171 I172Y149-S168 WeakPolarHBondContact O-CA 3.27Å; Y149-S168 WeakPolarHBondContact O-CB 3.14Å; Y149-S168 PolarHBondContact O-OG 3.35Å; C164-S168 PolarHBondContact O-N 3.46Å; C164-S168 PolarHBondContact O-OG 2.87Å; D165-S168 PolarHBondContact O-N 2.78Å; S168-G170 VanDerWaalsContact C-N 3.34Å; S168-G170 PolarHBondContact O-N 3Å; S168-I171 PolarHBondContact O-N 3.43Å; S168-I172 WeakPolarHBondContact O-CD1 3.35Å; S168-I172 VanDerWaalsContact O-CG1 3.27Å; S168-I172 WeakPolarHBondContact O-CG1 3.5Å; S168-I172 PolarHBondContact O-N 3.27Å
169I98.2Very high94.4Very high2 Ų213.9 Ų13.91%0.018%0.075CC..Hα-helixtrans-61.3-40.6171.5-72.4-177.8000111.9L88 L95 L108 D165 L166 W167 I171 I172 L173 L221 F235L88-I169 HydrophobicContact CD2-CG2 3.77Å; L95-I169 HydrophobicContact CD1-CD1 3.21Å; L95-I169 HydrophobicContact CD1-CG1 4.47Å; L95-I169 HydrophobicContact CG-CD1 4.06Å; L108-I169 HydrophobicContact CD1-CD1 4.43Å; L108-I169 HydrophobicContact CD1-CG1 4.1Å; D165-I169 WeakPolarHBondContact O-CG1 3.44Å; D165-I169 PolarHBondContact O-N 3.08Å; L166-I169 PolarHBondContact O-N 3.06Å; W167-I169 VanDerWaalsContact C-N 3.27Å; W167-I169 PolarHBondContact O-N 3.34Å; I169-I171 VanDerWaalsContact C-N 3.31Å; I169-I171 PolarHBondContact O-N 3.12Å; I169-I172 PolarHBondContact O-N 3.07Å; I169-L173 VanDerWaalsContact O-CB 3.27Å; I169-L173 WeakPolarHBondContact O-CB 3.5Å; I169-L173 PolarHBondContact O-N 2.85Å; I169-L221 HydrophobicContact CG2-CD1 4.02Å; I169-F235 HydrophobicContact CD1-CE1 4.48Å; I169-F235 HydrophobicContact CD1-CZ 4.19Å; I169-F235 HydrophobicContact CG2-CE2 4.35Å; I169-F235 HydrophobicContact CG2-CZ 4.32Å
170G98.1Very high94.7Very high0 Ų013.6 Ų13.60%08%0.08CC..Hα-helixtrans-57.7-42.6174.600000112.6L166 W167 S168 L173 Y174 L218L166-G170 PolarHBondContact O-N 3.11Å; W167-G170 WeakPolarHBondContact O-CA 3.23Å; W167-G170 PolarHBondContact O-N 2.89Å; S168-G170 VanDerWaalsContact C-N 3.34Å; S168-G170 PolarHBondContact O-N 3Å; G170-L173 PolarHBondContact O-N 3.04Å; G170-Y174 WeakPolarHBondContact O-CB 3.32Å; G170-Y174 PolarHBondContact O-N 3.46Å; G170-L218 VanDerWaalsContact O-CD1 3.29Å; G170-L218 WeakPolarHBondContact O-CD1 3.44Å
171I97.6Very high95.1Very high0 Ų013.9 Ų13.90%08%0.082CC..Hα-helixtrans-67.2-43.6176.7-58.8-64.1000111.1Y149 W167 S168 I169 L173 Y174 E175 T181 P182 Y183 I202 L222Y149-I171 HydrophobicContact CD1-CB 4.02Å; Y149-I171 HydrophobicContact CD1-CG2 3.51Å; Y149-I171 HydrophobicContact CE1-CG2 3.87Å; Y149-I171 HydrophobicContact CG-CG2 4.38Å; W167-I171 HydrophobicContact CZ2-CD1 4.37Å; W167-I171 PolarHBondContact O-N 2.87Å; S168-I171 PolarHBondContact O-N 3.43Å; I169-I171 VanDerWaalsContact C-N 3.31Å; I169-I171 PolarHBondContact O-N 3.12Å; I171-L173 VanDerWaalsContact C-N 3.34Å; I171-L173 PolarHBondContact O-N 3.16Å; I171-Y174 WeakPolarHBondContact O-CB 3.43Å; I171-Y174 PolarHBondContact O-N 2.95Å; I171-E175 PolarHBondContact O-N 2.75Å; I171-T181 HydrophobicContact CG2-CG2 3.92Å; I171-P182 HydrophobicContact CD1-CG 3.94Å; I171-Y183 HydrophobicContact CD1-CE2 4.1Å; I171-I202 HydrophobicContact CD1-CD1 4.44Å; I171-L222 HydrophobicContact CD1-CD2 3.65Å; I171-L222 HydrophobicContact CG1-CD2 4.08Å
172I98Very high95.3Very high4 Ų412.5 Ų12.52%0.0218%0.078CC..Hα-helixtrans-61.4-43.4176.4-66.7160.4000110.8L69 L108 P110 I113 Y149 S168 I169 E175 C176L69-I172 HydrophobicContact CD2-CG2 4.05Å; L108-I172 HydrophobicContact CB-CD1 4.27Å; P110-I172 HydrophobicContact CG-CG1 4.31Å; I113-I172 HydrophobicContact CD1-CD1 3.89Å; I113-I172 HydrophobicContact CD1-CG2 4.43Å; Y149-I172 HydrophobicContact CD1-CG1 4Å; Y149-I172 HydrophobicContact CE1-CG1 4.15Å; S168-I172 WeakPolarHBondContact O-CD1 3.35Å; S168-I172 VanDerWaalsContact O-CG1 3.27Å; S168-I172 WeakPolarHBondContact O-CG1 3.5Å; S168-I172 PolarHBondContact O-N 3.27Å; I169-I172 PolarHBondContact O-N 3.07Å; I172-E175 PolarHBondContact O-N 3.29Å; I172-C176 PolarHBondContact O-N 3.41Å; I172-C176 PolarHBondContact O-SG 3.11Å
173L97.7Very high95.6Very high1 Ų112.4 Ų12.41%0.0058%0.076CC..Hα-helixtrans-60.8-48177.2175.654.4000111.1V84 L88 I169 G170 I171 E175 C176 L177 L217 L218 L221V84-L173 HydrophobicContact CG1-CD1 3.16Å; L88-L173 HydrophobicContact CD1-CD1 3.81Å; L88-L173 HydrophobicContact CD1-CD2 3.92Å; L88-L173 HydrophobicContact CD1-CG 4.4Å; L88-L173 HydrophobicContact CG-CD1 4.43Å; I169-L173 VanDerWaalsContact O-CB 3.27Å; I169-L173 WeakPolarHBondContact O-CB 3.5Å; I169-L173 PolarHBondContact O-N 2.85Å; G170-L173 PolarHBondContact O-N 3.04Å; I171-L173 VanDerWaalsContact C-N 3.34Å; I171-L173 PolarHBondContact O-N 3.16Å; L173-E175 VanDerWaalsContact C-N 3.32Å; L173-E175 PolarHBondContact O-N 3.34Å; L173-C176 PolarHBondContact O-N 3.02Å; L173-L177 HydrophobicContact CD1-CD1 3.63Å; L173-L177 HydrophobicContact CD1-CG 3.99Å; L173-L177 HydrophobicContact CG-CD1 3.9Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 3.23Å; L173-L217 HydrophobicContact CD2-CD2 3.88Å; L173-L217 HydrophobicContact CD2-CG 4.18Å; L173-L218 HydrophobicContact CB-CD1 4.13Å; L173-L218 HydrophobicContact CD2-CB 4.29Å; L173-L218 HydrophobicContact CD2-CD1 3.93Å; L173-L218 HydrophobicContact CG-CD1 3.92Å; L173-L221 HydrophobicContact CD2-CD1 4.29Å
174Y97Very high94.6Very high19 Ų1913.5 Ų13.58%0.0759%0.087CC..Hα-helixtrans-55.3-49.7174.4-172.3-75.2000110.6G170 I171 C176 L177 F178 T180 T181 P182 I202 L204 P205 L218 L222G170-Y174 WeakPolarHBondContact O-CB 3.32Å; G170-Y174 PolarHBondContact O-N 3.46Å; I171-Y174 WeakPolarHBondContact O-CB 3.43Å; I171-Y174 PolarHBondContact O-N 2.95Å; Y174-C176 VanDerWaalsContact C-N 3.33Å; Y174-C176 PolarHBondContact O-N 3.31Å; Y174-L177 PolarHBondContact O-N 3.35Å; Y174-F178 HydrophobicContact CD1-CB 4.38Å; Y174-F178 AromaticContact CD1-CD2 3.71Å; Y174-F178 HydrophobicContact CD1-CD2 3.71Å; Y174-F178 HydrophobicContact CD1-CG 4.5Å; Y174-F178 AromaticContact CD2-CD2 3.69Å; Y174-F178 HydrophobicContact CD2-CD2 3.69Å; Y174-F178 AromaticContact CD2-CE2 3.75Å; Y174-F178 HydrophobicContact CD2-CE2 3.75Å; Y174-F178 HydrophobicContact CE1-CB 4.07Å; Y174-F178 AromaticContact CE1-CD2 3.77Å; Y174-F178 HydrophobicContact CE1-CD2 3.77Å; Y174-F178 HydrophobicContact CE1-CG 4.26Å; Y174-F178 AromaticContact CE2-CD2 3.75Å; Y174-F178 HydrophobicContact CE2-CD2 3.75Å; Y174-F178 AromaticContact CE2-CE2 3.89Å; Y174-F178 HydrophobicContact CE2-CE2 3.89Å; Y174-F178 AromaticContact CG-CD2 3.66Å; Y174-F178 HydrophobicContact CG-CD2 3.66Å; Y174-F178 HydrophobicContact CG-CE2 4.11Å; Y174-F178 AromaticContact CZ-CD2 3.79Å; Y174-F178 WeakPolarHBondContact O-CD2 3.48Å; Y174-F178 PolarHBondContact O-N 3.39Å; Y174-T180 WeakPolarHBondContact CD1-O 3.49Å; Y174-T180 WeakPolarHBondContact CE1-O 3.03Å; Y174-T181 VanDerWaalsContact CE1-C 3.42Å; Y174-P182 HydrophobicContact CD1-CG 3.72Å; Y174-P182 HydrophobicContact CD2-CG 3.68Å; Y174-P182 HydrophobicContact CE1-CB 4.42Å; Y174-P182 HydrophobicContact CE1-CG 3.99Å; Y174-P182 HydrophobicContact CE2-CB 4.39Å; Y174-P182 HydrophobicContact CE2-CG 3.93Å; Y174-P182 HydrophobicContact CG-CG 3.58Å; Y174-I202 HydrophobicContact CD2-CG2 4.37Å; Y174-I202 HydrophobicContact CE2-CG2 4.1Å; Y174-L204 HydrophobicContact CD2-CD2 4.04Å; Y174-L204 HydrophobicContact CE2-CD2 3.98Å; Y174-P205 WeakPolarHBondContact OH-CD 3.49Å; Y174-L218 HydrophobicContact CD2-CD2 4.13Å; Y174-L222 HydrophobicContact CD2-CD1 4.46Å
175E96.4Very high93.9Very high30 Ų3023 Ų2314%0.1413%0.132CC..Hα-helixtrans-60.5-42179.5-153.9-168.9163.100112.2L73 P110 Y149 I171 I172 L173 L177 G179 T180 T181L73-E175 HydrophobicContact CD2-CB 4.02Å; L73-E175 HydrophobicContact CD2-CG 3.59Å; P110-E175 VanDerWaalsContact CG-OE2 3.32Å; P110-E175 WeakPolarHBondContact CG-OE2 3.28Å; Y149-E175 PolarHBondContact OH-OE2 2.98Å; I171-E175 PolarHBondContact O-N 2.75Å; I172-E175 PolarHBondContact O-N 3.29Å; L173-E175 VanDerWaalsContact C-N 3.32Å; L173-E175 PolarHBondContact O-N 3.34Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 3.24Å; E175-G179 WeakPolarHBondContact O-CA 3.49Å; E175-G179 PolarHBondContact O-N 3.31Å; E175-T180 WeakPolarHBondContact CA-O 3.49Å; E175-T181 HydrophobicContact CB-CG2 4.13Å; E175-T181 HydrophobicContact CG-CG2 3.81Å
176C96.4Very high93.5Very high8 Ų825 Ų255%0.05414%0.142CC..Hα-helixtrans-61.9-41177.3-68.60000112.2L79 V84 I172 L173 Y174L79-C176 HydrophobicContact CB-CB 4.48Å; L79-C176 HydrophobicContact CD1-CB 4.15Å; L79-C176 HydrophobicContact CG-CB 4.41Å; L79-C176 PolarHBondContact N-O 2.95Å; V84-C176 HydrophobicContact CG2-CB 3.93Å; I172-C176 PolarHBondContact O-N 3.41Å; I172-C176 PolarHBondContact O-SG 3.11Å; L173-C176 PolarHBondContact O-N 3.02Å; Y174-C176 VanDerWaalsContact C-N 3.33Å; Y174-C176 PolarHBondContact O-N 3.31Å
177L94.9Very high93.3Very high6 Ų628.2 Ų28.23%0.03116%0.162CC..Hα-helixtrans-79-38.9-175.8-67.6167.2000113V84 L173 Y174 E175 N208 I210 L218V84-L177 HydrophobicContact CB-CD2 4.39Å; V84-L177 HydrophobicContact CG1-CD2 4.22Å; V84-L177 HydrophobicContact CG1-CG 4.46Å; V84-L177 HydrophobicContact CG2-CD2 4.08Å; L173-L177 HydrophobicContact CD1-CD1 3.63Å; L173-L177 HydrophobicContact CD1-CG 3.99Å; L173-L177 HydrophobicContact CG-CD1 3.9Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 3.23Å; Y174-L177 PolarHBondContact O-N 3.35Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 3.24Å; L177-N208 PolarHBondContact O-ND2 3.11Å; L177-I210 HydrophobicContact CD1-CG2 4.41Å; L177-I210 HydrophobicContact CD2-CG2 4.11Å; L177-L218 HydrophobicContact CD1-CD2 4.38Å
178F93.7Very high92.9Very high28 Ų2833 Ų3312%0.12319%0.186CC..Hα-helixtrans-108.7-7.6-171.4-54.5-69.4000113.7Y174 T180 L204 P205 N208 I210 L218Y174-F178 HydrophobicContact CD1-CB 4.38Å; Y174-F178 AromaticContact CD1-CD2 3.71Å; Y174-F178 HydrophobicContact CD1-CD2 3.71Å; Y174-F178 HydrophobicContact CD1-CG 4.5Å; Y174-F178 AromaticContact CD2-CD2 3.69Å; Y174-F178 HydrophobicContact CD2-CD2 3.69Å; Y174-F178 AromaticContact CD2-CE2 3.75Å; Y174-F178 HydrophobicContact CD2-CE2 3.75Å; Y174-F178 HydrophobicContact CE1-CB 4.07Å; Y174-F178 AromaticContact CE1-CD2 3.77Å; Y174-F178 HydrophobicContact CE1-CD2 3.77Å; Y174-F178 HydrophobicContact CE1-CG 4.26Å; Y174-F178 AromaticContact CE2-CD2 3.75Å; Y174-F178 HydrophobicContact CE2-CD2 3.75Å; Y174-F178 AromaticContact CE2-CE2 3.89Å; Y174-F178 HydrophobicContact CE2-CE2 3.89Å; Y174-F178 AromaticContact CG-CD2 3.66Å; Y174-F178 HydrophobicContact CG-CD2 3.66Å; Y174-F178 HydrophobicContact CG-CE2 4.11Å; Y174-F178 AromaticContact CZ-CD2 3.79Å; Y174-F178 WeakPolarHBondContact O-CD2 3.48Å; Y174-F178 PolarHBondContact O-N 3.39Å; F178-T180 PolarHBondContact O-N 2.89Å; F178-L204 HydrophobicContact CE2-CD2 4.23Å; F178-L204 HydrophobicContact CZ-CB 4.38Å; F178-L204 HydrophobicContact CZ-CD2 4.44Å; F178-P205 HydrophobicContact CB-CG 4.46Å; F178-P205 HydrophobicContact CD1-CB 4.1Å; F178-P205 HydrophobicContact CD1-CG 3.7Å; F178-P205 HydrophobicContact CE1-CB 4.24Å; F178-P205 HydrophobicContact CE1-CG 4.03Å; F178-P205 HydrophobicContact CG-CG 3.98Å; F178-N208 HydrophobicContact CD1-CB 4.14Å; F178-N208 HydrophobicContact CE1-CB 3.94Å; F178-I210 HydrophobicContact CZ-CD1 4.23Å; F178-L218 HydrophobicContact CE2-CD2 3.85Å
179G92.7Very high92.6Very high35 Ų3538.5 Ų38.536%0.36121%0.211SC..SBendtrans78.71178.600000115.1R77 E175R77-G179 WeakPolarHBondContact O-CA 3.4Å; E175-G179 WeakPolarHBondContact O-CA 3.49Å; E175-G179 PolarHBondContact O-N 3.31Å
180T92.9Very high92.4Very high65 Ų6542.5 Ų42.540%0.39923%0.23SC..SBendtrans-151.8158176.5-163.60000109.3Y174 E175 F178 G184Y174-T180 WeakPolarHBondContact CD1-O 3.49Å; Y174-T180 WeakPolarHBondContact CE1-O 3.03Å; E175-T180 WeakPolarHBondContact CA-O 3.49Å; F178-T180 PolarHBondContact O-N 2.89Å; T180-G184 WeakPolarHBondContact OG1-CA 3.45Å
181T94.4Very high92.1Very high8 Ų843 Ų435%0.04923%0.232CC..  trans-76.1167176.765.50000110.8L148 Y149 I171 Y174 E175 Y183 G184L148-T181 HydrophobicContact CD2-CG2 3.87Å; L148-T181 HydrophobicContact CG-CG2 4.11Å; Y149-T181 HydrophobicContact CE1-CG2 4.33Å; I171-T181 HydrophobicContact CG2-CG2 3.92Å; Y174-T181 VanDerWaalsContact CE1-C 3.42Å; E175-T181 HydrophobicContact CB-CG2 4.13Å; E175-T181 HydrophobicContact CG-CG2 3.81Å; T181-Y183 PolarHBondContact O-N 2.94Å; T181-Y183 PolarHBondContact OG1-N 3.38Å; T181-G184 PolarHBondContact O-N 3.02Å; T181-G184 PolarHBondContact OG1-N 2.91Å
182P92.3Very high91.8Very high29 Ų2947.4 Ų47.419%0.18825%0.251CS..THydrogen-bonded Turntrans-58-18.5173.9-25.535.7000114.1I171 Y174 I202I171-P182 HydrophobicContact CD1-CG 3.94Å; Y174-P182 HydrophobicContact CD1-CG 3.72Å; Y174-P182 HydrophobicContact CD2-CG 3.68Å; Y174-P182 HydrophobicContact CE1-CB 4.42Å; Y174-P182 HydrophobicContact CE1-CG 3.99Å; Y174-P182 HydrophobicContact CE2-CB 4.39Å; Y174-P182 HydrophobicContact CE2-CG 3.93Å; Y174-P182 HydrophobicContact CG-CG 3.58Å; P182-I202 HydrophobicContact CB-CD1 4.06Å; P182-I202 HydrophobicContact CB-CG1 4.42Å; P182-I202 HydrophobicContact CB-CG2 3.74Å; P182-I202 HydrophobicContact CG-CD1 4.05Å; P182-I202 HydrophobicContact CG-CG2 3.88Å
183Y90.6Very high91.5Very high10 Ų1053 Ų534%0.03928%0.277CS..THydrogen-bonded Turntrans-109.914.2179.9-49-64.7000111.8L148 I171 T181 Q185 I186 L191 K194 M198L148-Y183 HydrophobicContact CD1-CD2 4.25Å; I171-Y183 HydrophobicContact CD1-CE2 4.1Å; T181-Y183 PolarHBondContact O-N 2.94Å; T181-Y183 PolarHBondContact OG1-N 3.38Å; Y183-Q185 PolarHBondContact O-N 3.08Å; Y183-I186 HydrophobicContact CD1-CD1 4.09Å; Y183-I186 HydrophobicContact CG-CD1 4.32Å; Y183-I186 WeakPolarHBondContact O-CG1 3.37Å; Y183-I186 PolarHBondContact O-N 3.42Å; Y183-L191 HydrophobicContact CD1-CD1 3.95Å; Y183-L191 HydrophobicContact CD2-CD1 3.73Å; Y183-L191 HydrophobicContact CE1-CD1 4.42Å; Y183-L191 HydrophobicContact CE2-CD1 4.22Å; Y183-L191 HydrophobicContact CG-CD1 3.58Å; Y183-K194 HydrophobicContact CD1-CD 4.34Å; Y183-M198 HydrophobicContact CE1-CE 4.14Å
184G72.4Confident91.2Very high25 Ų2556.8 Ų56.826%0.25829%0.294SS..THydrogen-bonded Turntrans-56.1122.8176.700000110.2T180 T181T180-G184 WeakPolarHBondContact OG1-CA 3.45Å; T181-G184 PolarHBondContact O-N 3.02Å; T181-G184 PolarHBondContact OG1-N 2.91Å
185Q79.3Confident90.8Very high203 Ų20355.9 Ų55.995%0.94929%0.291SS*.THydrogen-bonded Turntrans89.211.5179.1-47.9175.6-19.900118Y183Y183-Q185 PolarHBondContact O-N 3.08Å
186I88.7Confident90.4Very high45 Ų4558.7 Ų58.723%0.23131%0.31CS..  trans-101.9155.6170.775-175.4000112.4Y183 Q190 L191 K194Y183-I186 HydrophobicContact CD1-CD1 4.09Å; Y183-I186 HydrophobicContact CG-CD1 4.32Å; Y183-I186 WeakPolarHBondContact O-CG1 3.37Å; Y183-I186 PolarHBondContact O-N 3.42Å; I186-Q190 HydrophobicContact CB-CB 3.89Å; I186-Q190 HydrophobicContact CD1-CB 4.38Å; I186-Q190 HydrophobicContact CG1-CB 4.29Å; I186-L191 HydrophobicContact CD1-CB 3.82Å; I186-L191 HydrophobicContact CD1-CD1 4.17Å; I186-L191 HydrophobicContact CG1-CB 4.07Å; I186-K194 HydrophobicContact CD1-CD 3.79Å
187T92.3Very high90Very high68 Ų6862.3 Ų62.342%0.41733%0.332SS..  trans-70.9165.3173.977.20000111.6E189 Q190 L191T187-E189 WeakPolarHBondContact CB-OE2 3.14Å; T187-E189 PolarHBondContact O-N 3.36Å; T187-E189 PolarHBondContact OG1-N 3.16Å; T187-E189 PolarHBondContact OG1-OE2 3.37Å; T187-Q190 PolarHBondContact O-N 3.36Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.15Å; T187-Q190 PolarHBondContact OG1-N 2.92Å; T187-L191 WeakPolarHBondContact O-CB 3.3Å; T187-L191 PolarHBondContact O-N 3.16Å
188I89.9Confident89.4Confident101 Ų10164 Ų6452%0.51834%0.34SS..Hα-helixtrans-59.8-38.7176.1-67.8175.1000110.4L147 L191 K192L147-I188 HydrophobicContact CD2-CG2 3.95Å; I188-L191 PolarHBondContact O-N 2.99Å; I188-K192 HydrophobicContact CG2-CD 4.39Å; I188-K192 VanDerWaalsContact O-CG 3.31Å; I188-K192 WeakPolarHBondContact O-CG 3.5Å; I188-K192 PolarHBondContact O-N 2.97Å
189E92.1Very high88.8Confident121 Ų12169.4 Ų69.457%0.56537%0.37SS*.Hα-helixtrans-65.3-45.9178.8-62.565.4-138.400110.9T187 L191 K192 E193T187-E189 WeakPolarHBondContact CB-OE2 3.14Å; T187-E189 PolarHBondContact O-N 3.36Å; T187-E189 PolarHBondContact OG1-N 3.16Å; T187-E189 PolarHBondContact OG1-OE2 3.37Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.28Å; E189-K192 PolarHBondContact O-N 3.02Å; E189-E193 PolarHBondContact O-N 3.47Å
190Q93Very high88.4Confident87 Ų8773.9 Ų73.941%0.40738%0.382SS..Hα-helixtrans-64.1-35.7175.3-70.7173.8-26.700112I186 T187 E193 K194I186-Q190 HydrophobicContact CB-CB 3.89Å; I186-Q190 HydrophobicContact CD1-CB 4.38Å; I186-Q190 HydrophobicContact CG1-CB 4.29Å; T187-Q190 PolarHBondContact O-N 3.36Å; T187-Q190 WeakPolarHBondContact OG1-CG 3.15Å; T187-Q190 PolarHBondContact OG1-N 2.92Å; Q190-E193 PolarHBondContact O-N 3.14Å; Q190-K194 WeakPolarHBondContact O-CB 3.14Å; Q190-K194 WeakPolarHBondContact O-CG 3.36Å; Q190-K194 PolarHBondContact O-N 3.36Å
191L92.3Very high88.2Confident10 Ų1075 Ų755%0.05239%0.39CS..Hα-helixtrans-64.8-46.8174176.359.6000111.1L147 L148 Y183 I186 T187 I188 E189 E193 K194 L195L147-L191 HydrophobicContact CB-CD2 4.39Å; L147-L191 HydrophobicContact CD2-CD2 3.86Å; L147-L191 HydrophobicContact CD2-CG 4.2Å; L147-L191 HydrophobicContact CG-CD2 3.76Å; L147-L191 HydrophobicContact CG-CG 4.23Å; L148-L191 HydrophobicContact CB-CD2 4.47Å; L148-L191 HydrophobicContact CD1-CD2 4.07Å; Y183-L191 HydrophobicContact CD1-CD1 3.95Å; Y183-L191 HydrophobicContact CD2-CD1 3.73Å; Y183-L191 HydrophobicContact CE1-CD1 4.42Å; Y183-L191 HydrophobicContact CE2-CD1 4.22Å; Y183-L191 HydrophobicContact CG-CD1 3.58Å; I186-L191 HydrophobicContact CD1-CB 3.82Å; I186-L191 HydrophobicContact CD1-CD1 4.17Å; I186-L191 HydrophobicContact CG1-CB 4.07Å; T187-L191 WeakPolarHBondContact O-CB 3.3Å; T187-L191 PolarHBondContact O-N 3.16Å; I188-L191 PolarHBondContact O-N 2.99Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.28Å; L191-E193 VanDerWaalsContact C-N 3.31Å; L191-E193 PolarHBondContact O-N 3.27Å; L191-K194 PolarHBondContact O-N 2.93Å; L191-L195 HydrophobicContact CD1-CD1 4.24Å; L191-L195 HydrophobicContact CD1-CG 4.08Å; L191-L195 HydrophobicContact CG-CD1 4.14Å; L191-L195 HydrophobicContact CG-CG 4.42Å; L191-L195 WeakPolarHBondContact O-CB 3.4Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.4Å; L191-L195 PolarHBondContact O-N 3.37Å
192K91.8Very high88.1Confident92 Ų9275.4 Ų75.440%0.439%0.391SS..Hα-helixtrans-58.5-45.2175.3-70.6176178.9173.50111.2L147 F155 I188 E189 L195 V196L147-K192 HydrophobicContact CD2-CG 3.83Å; F155-K192 HydrophobicContact CE1-CB 4.13Å; F155-K192 HydrophobicContact CE1-CG 4.33Å; F155-K192 HydrophobicContact CE2-CG 4.05Å; F155-K192 HydrophobicContact CZ-CB 3.77Å; F155-K192 HydrophobicContact CZ-CD 4.12Å; F155-K192 HydrophobicContact CZ-CG 3.55Å; I188-K192 HydrophobicContact CG2-CD 4.39Å; I188-K192 VanDerWaalsContact O-CG 3.31Å; I188-K192 WeakPolarHBondContact O-CG 3.5Å; I188-K192 PolarHBondContact O-N 2.97Å; E189-K192 PolarHBondContact O-N 3.02Å; K192-L195 PolarHBondContact O-N 2.95Å; K192-V196 WeakPolarHBondContact O-CG2 3.26Å; K192-V196 PolarHBondContact O-N 3.11Å
193E91.9Very high87.9Confident121 Ų12182.2 Ų82.257%0.56542%0.418SS*.Hα-helixtrans-58.7-53176.3-173.5-176.3176.100110.8E189 Q190 L191 L195 V196 T197E189-E193 PolarHBondContact O-N 3.47Å; Q190-E193 PolarHBondContact O-N 3.14Å; L191-E193 VanDerWaalsContact C-N 3.31Å; L191-E193 PolarHBondContact O-N 3.27Å; E193-L195 VanDerWaalsContact C-N 3.3Å; E193-L195 PolarHBondContact O-N 2.88Å; E193-V196 PolarHBondContact O-N 3.15Å; E193-T197 HydrophobicContact CG-CG2 4.1Å; E193-T197 WeakPolarHBondContact O-CG2 2.91Å; E193-T197 PolarHBondContact O-N 3.42Å; E193-T197 PolarHBondContact O-OG1 3.5Å
194K89.9Confident87.9Confident81 Ų8183.9 Ų83.935%0.35243%0.427SS..Hα-helixtrans-60.4-36.7177.6-75.4-170.7-178.6-1760113.1Y183 I186 Q190 L191 V196 M198Y183-K194 HydrophobicContact CD1-CD 4.34Å; I186-K194 HydrophobicContact CD1-CD 3.79Å; Q190-K194 WeakPolarHBondContact O-CB 3.14Å; Q190-K194 WeakPolarHBondContact O-CG 3.36Å; Q190-K194 PolarHBondContact O-N 3.36Å; L191-K194 PolarHBondContact O-N 2.93Å; K194-V196 PolarHBondContact O-N 3.49Å; K194-M198 WeakPolarHBondContact O-CB 3.34Å; K194-M198 PolarHBondContact O-N 3.49Å
195L88.7Confident88.7Confident1 Ų184.8 Ų84.81%0.00543%0.429CS..Hα-helixtrans-63-25.5176-75.4173.8000112.1L147 P152 F155 C156 L191 K192 E193 R224L147-L195 HydrophobicContact CD1-CD1 3.55Å; L147-L195 HydrophobicContact CG-CD1 4.08Å; P152-L195 HydrophobicContact CB-CD2 4.41Å; F155-L195 HydrophobicContact CB-CD1 4.35Å; F155-L195 HydrophobicContact CD1-CB 3.76Å; F155-L195 HydrophobicContact CD1-CD1 4.08Å; F155-L195 HydrophobicContact CE1-CB 4.23Å; F155-L195 HydrophobicContact CG-CB 4.48Å; F155-L195 HydrophobicContact CG-CD1 4.07Å; C156-L195 PolarHBondContact SG-O 3.45Å; L191-L195 HydrophobicContact CD1-CD1 4.24Å; L191-L195 HydrophobicContact CD1-CG 4.08Å; L191-L195 HydrophobicContact CG-CD1 4.14Å; L191-L195 HydrophobicContact CG-CG 4.42Å; L191-L195 WeakPolarHBondContact O-CB 3.4Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.4Å; L191-L195 PolarHBondContact O-N 3.37Å; K192-L195 PolarHBondContact O-N 2.95Å; E193-L195 VanDerWaalsContact C-N 3.3Å; E193-L195 PolarHBondContact O-N 2.88Å; L195-R224 PolarHBondContact O-NH2 3.2Å
196V88.7Confident88.7Confident89 Ų8981 Ų8154%0.53942%0.424SS..Hα-helixtrans-93.4-45.1176.7177.90000112.1F155 K192 E193 K194F155-V196 HydrophobicContact CD1-CG2 4.27Å; F155-V196 HydrophobicContact CE1-CG2 3.87Å; K192-V196 WeakPolarHBondContact O-CG2 3.26Å; K192-V196 PolarHBondContact O-N 3.11Å; E193-V196 PolarHBondContact O-N 3.15Å; K194-V196 PolarHBondContact O-N 3.49Å
197T87.2Confident87.8Confident84 Ų8484.2 Ų84.252%0.51545%0.446SS..Hα-helixtrans-94.3-22.3-166.162.50000114.4E193 N199E193-T197 HydrophobicContact CG-CG2 4.1Å; E193-T197 WeakPolarHBondContact O-CG2 2.91Å; E193-T197 PolarHBondContact O-N 3.42Å; E193-T197 PolarHBondContact O-OG1 3.5Å; T197-N199 PolarHBondContact O-N 3.15Å
198M82.8Confident86.5Confident41 Ų4182.6 Ų82.620%0.20244%0.435CS..  trans-77.1111.3-173.9-168.5178.677.700110.8Y183 K194 I202 R224Y183-M198 HydrophobicContact CE1-CE 4.14Å; K194-M198 WeakPolarHBondContact O-CB 3.34Å; K194-M198 PolarHBondContact O-N 3.49Å; M198-I202 HydrophobicContact CE-CG1 4.12Å; M198-R224 WeakPolarHBondContact O-CD 3.45Å; M198-R224 PolarHBondContact O-NE 3Å; M198-R224 PolarHBondContact O-NH2 2.94Å
199N80.9Confident86.1Confident141 Ų14187.3 Ų87.375%0.75446%0.455SS*.  trans-95.8-17.8170.4-70.3-25.7000112.8T197T197-N199 PolarHBondContact O-N 3.15Å
200E84.5Confident85.9Confident130 Ų13083.3 Ų83.361%0.60744%0.437SS*.SBendtrans-71.3142.8-178.1-67.2-59.4135.500112.5
201P89.1Confident85.7Confident88 Ų8881.1 Ų81.157%0.57143%0.432SS*.PPolyproline II helixtrans-59.3148.1171.1-22.233000112.5K203P201-K203 PolarHBondContact O-N 3.03Å
202I91.4Very high85.6Confident16 Ų1687.1 Ų87.18%0.08246%0.457CS..PPolyproline II helixtrans-63.5122.7173.1-67.8174.1000109.2W167 I171 Y174 P182 M198 L222W167-I202 HydrophobicContact CH2-CD1 4.21Å; I171-I202 HydrophobicContact CD1-CD1 4.44Å; Y174-I202 HydrophobicContact CD2-CG2 4.37Å; Y174-I202 HydrophobicContact CE2-CG2 4.1Å; P182-I202 HydrophobicContact CB-CD1 4.06Å; P182-I202 HydrophobicContact CB-CG1 4.42Å; P182-I202 HydrophobicContact CB-CG2 3.74Å; P182-I202 HydrophobicContact CG-CD1 4.05Å; P182-I202 HydrophobicContact CG-CG2 3.88Å; M198-I202 HydrophobicContact CE-CG1 4.12Å; I202-L222 HydrophobicContact CB-CD1 4.37Å; I202-L222 HydrophobicContact CD1-CB 4.18Å; I202-L222 HydrophobicContact CD1-CD1 3.99Å; I202-L222 HydrophobicContact CD1-CD2 4.18Å; I202-L222 HydrophobicContact CD1-CG 4.36Å; I202-L222 HydrophobicContact CG2-CD1 4.16Å
203K89.2Confident85.6Confident173 Ų17384.5 Ų84.575%0.75245%0.45SS*.PPolyproline II helixtrans-84.7134.1179-62.9-175.9-179-179.10110.3P201P201-K203 PolarHBondContact O-N 3.03Å
204L90.7Very high85.7Confident44 Ų4478.8 Ų78.823%0.2342%0.423CS..PPolyproline II helixtrans-85.3138.2175.7-55.1-174.2000110.3Y174 F178 S206 I210 A215 L218Y174-L204 HydrophobicContact CD2-CD2 4.04Å; Y174-L204 HydrophobicContact CE2-CD2 3.98Å; F178-L204 HydrophobicContact CE2-CD2 4.23Å; F178-L204 HydrophobicContact CZ-CB 4.38Å; F178-L204 HydrophobicContact CZ-CD2 4.44Å; L204-S206 PolarHBondContact O-N 3.38Å; L204-I210 HydrophobicContact CD1-CD1 4.15Å; L204-A215 HydrophobicContact CD1-CB 4.21Å; L204-L218 HydrophobicContact CD1-CD2 4.1Å; L204-L218 HydrophobicContact CD2-CD2 3.33Å; L204-L218 HydrophobicContact CD2-CG 4.02Å; L204-L218 HydrophobicContact CG-CD2 4.37Å
205P88.5Confident85.9Confident45 Ų4576 Ų7629%0.29242%0.415SS..PPolyproline II helixtrans-59.1132.2173.1-23.833.4000111.7Y174 F178 T207Y174-P205 WeakPolarHBondContact OH-CD 3.49Å; F178-P205 HydrophobicContact CB-CG 4.46Å; F178-P205 HydrophobicContact CD1-CB 4.1Å; F178-P205 HydrophobicContact CD1-CG 3.7Å; F178-P205 HydrophobicContact CE1-CB 4.24Å; F178-P205 HydrophobicContact CE1-CG 4.03Å; F178-P205 HydrophobicContact CG-CG 3.98Å; P205-T207 PolarHBondContact O-N 3.08Å
206S79.5Confident86.2Confident122 Ų12278.3 Ų78.385%0.85344%0.435SS*.THydrogen-bonded Turntrans-72.2-11.717855.40000114L204 N208L204-S206 PolarHBondContact O-N 3.38Å; S206-N208 PolarHBondContact O-N 3.12Å
207T69.5Low86.7Confident113 Ų11374.1 Ų74.169%0.69341%0.409SS*.THydrogen-bonded Turntrans-79.1-14.4-171.557.70000114.3P205P205-T207 PolarHBondContact O-N 3.08Å
208N66Low87.1Confident34 Ų3470.1 Ų70.118%0.18239%0.385CS..SBendtrans-119.5115.6-176.7-65.719.7000109.5R78 L177 F178 S206 I210R78-N208 PolarHBondContact NH1-ND2 3.28Å; R78-N208 PolarHBondContact NH1-OD1 3.01Å; L177-N208 PolarHBondContact O-ND2 3.11Å; F178-N208 HydrophobicContact CD1-CB 4.14Å; F178-N208 HydrophobicContact CE1-CB 3.94Å; S206-N208 PolarHBondContact O-N 3.12Å; N208-I210 PolarHBondContact O-N 3.18Å
209E79.9Confident87.8Confident201 Ų20172.4 Ų72.494%0.93940%0.395SS*.  trans-72.596.7171.4-64.6-178.2173.500109.1
210I89.2Confident88.5Confident37 Ų3766.4 Ų66.419%0.1937%0.366CS..  trans-95.2153165.162.7172000109.3E81 L177 F178 L204 N208 C214 A215E81-I210 VanDerWaalsContact OE2-CA 3.29Å; E81-I210 WeakPolarHBondContact OE2-CA 3.44Å; L177-I210 HydrophobicContact CD1-CG2 4.41Å; L177-I210 HydrophobicContact CD2-CG2 4.11Å; F178-I210 HydrophobicContact CZ-CD1 4.23Å; L204-I210 HydrophobicContact CD1-CD1 4.15Å; N208-I210 PolarHBondContact O-N 3.18Å; I210-C214 HydrophobicContact CB-CB 4.25Å; I210-C214 HydrophobicContact CD1-CB 4.43Å; I210-A215 HydrophobicContact CD1-CB 3.81Å; I210-A215 HydrophobicContact CG1-CB 4.18Å
211S89.1Confident89.2Confident41 Ų4160.2 Ų60.229%0.28734%0.337SS..  trans-64.1153.6177.974.20000112.3E81 C214 A215E81-S211 WeakPolarHBondContact OE1-CB 3Å; E81-S211 PolarHBondContact OE1-OG 3.07Å; E81-S211 PolarHBondContact OE2-N 3.03Å; S211-C214 WeakPolarHBondContact O-CA 3.06Å; S211-C214 WeakPolarHBondContact O-CB 3.48Å; S211-C214 PolarHBondContact O-N 3.01Å; S211-C214 WeakPolarHBondContact OG-CB 3.31Å; S211-C214 PolarHBondContact OG-N 3.47Å; S211-A215 PolarHBondContact O-N 2.95Å
212K89.9Confident89.6Confident135 Ų13556.6 Ų56.659%0.58731%0.313SS*.Hα-helixtrans-55.7-43.3176.6-57.1-178.5-172.9178.30112.4C214 A215 A216 D349K212-C214 VanDerWaalsContact C-N 3.33Å; K212-C214 PolarHBondContact O-N 3.16Å; K212-A215 PolarHBondContact O-N 3.09Å; K212-A216 WeakPolarHBondContact O-CB 3.43Å; K212-A216 PolarHBondContact O-N 3.48Å; K212-D349 VanDerWaalsContact CD-OD2 3.26Å; K212-D349 WeakPolarHBondContact CD-OD2 3.37Å; K212-D349 WeakPolarHBondContact CE-OD2 3.32Å; K212-D349 IonicContact NZ-OD1 3.72Å; K212-D349 PolarHBondContact NZ-OD1 3.26Å; K212-D349 IonicContact NZ-OD2 2.71Å; K212-D349 PolarHBondContact NZ-OD2 3.23Å
213P91.3Very high89.7Confident38 Ų3859.8 Ų59.825%0.24733%0.326CS..Hα-helixtrans-60.5-38.8172.8-25.135.6000113.3A216 L217 H238 F240P213-A216 PolarHBondContact O-N 3.44Å; P213-L217 PolarHBondContact O-N 3.27Å; P213-H238 PolarHBondContact O-CE1 3.14Å; P213-H238 VanDerWaalsContact O-CE1 3.27Å; P213-F240 HydrophobicContact CB-CB 3.97Å; P213-F240 HydrophobicContact CB-CD2 4.24Å
214C94.4Very high89.9Confident0 Ų053.9 Ų53.90%030%0.299CS..Hα-helixtrans-63.2-47.1177-165.70000111.5E81 I210 S211 K212 A216 L217 L218 F240E81-C214 HydrophobicContact CG-CB 4.43Å; I210-C214 HydrophobicContact CB-CB 4.25Å; I210-C214 HydrophobicContact CD1-CB 4.43Å; S211-C214 WeakPolarHBondContact O-CA 3.06Å; S211-C214 WeakPolarHBondContact O-CB 3.48Å; S211-C214 PolarHBondContact O-N 3.01Å; S211-C214 WeakPolarHBondContact OG-CB 3.31Å; S211-C214 PolarHBondContact OG-N 3.47Å; K212-C214 VanDerWaalsContact C-N 3.33Å; K212-C214 PolarHBondContact O-N 3.16Å; C214-A216 PolarHBondContact O-N 3.49Å; C214-L217 PolarHBondContact O-N 3.06Å; C214-L218 WeakPolarHBondContact O-CB 3.24Å; C214-L218 PolarHBondContact O-N 3.36Å; C214-F240 HydrophobicContact CB-CD2 3.67Å; C214-F240 HydrophobicContact CB-CE1 4.39Å; C214-F240 HydrophobicContact CB-CE2 3.47Å; C214-F240 VanDerWaalsContact CB-CE2 3.47Å; C214-F240 HydrophobicContact CB-CG 4.26Å; C214-F240 HydrophobicContact CB-CZ 3.84Å; C214-F240 WeakPolarHBondContact SG-CZ 3.45Å
215A94.6Very high90Very high22 Ų2255 Ų5518%0.18231%0.305CS..Hα-helixtrans-61.5-43.8176.700000112.1L204 I210 S211 K212 L217 L218 H219L204-A215 HydrophobicContact CD1-CB 4.21Å; I210-A215 HydrophobicContact CD1-CB 3.81Å; I210-A215 HydrophobicContact CG1-CB 4.18Å; S211-A215 PolarHBondContact O-N 2.95Å; K212-A215 PolarHBondContact O-N 3.09Å; A215-L217 PolarHBondContact O-N 3.49Å; A215-L218 PolarHBondContact O-N 3.01Å; A215-H219 PolarHBondContact O-CD2 3.27Å; A215-H219 PolarHBondContact O-N 2.96Å
216A95Very high90.2Very high51 Ų5154 Ų5442%0.42130%0.299SS..Hα-helixtrans-60.8-43.8177.500000112.1K212 P213 C214 L218 H219 G220K212-A216 WeakPolarHBondContact O-CB 3.43Å; K212-A216 PolarHBondContact O-N 3.48Å; P213-A216 PolarHBondContact O-N 3.44Å; C214-A216 PolarHBondContact O-N 3.49Å; A216-L218 PolarHBondContact O-N 3.49Å; A216-H219 PolarHBondContact O-N 3.01Å; A216-G220 PolarHBondContact O-N 2.51Å
217L97.4Very high90.8Very high0 Ų053 Ų530%029%0.292CS..Hα-helixtrans-58.4-49.9174.7178.362.2000110.9L88 L173 P213 C214 A215 H219 G220 L221 L230 F235 H238 F240 I241L88-L217 HydrophobicContact CD1-CD2 3.66Å; L173-L217 HydrophobicContact CD2-CD2 3.88Å; L173-L217 HydrophobicContact CD2-CG 4.18Å; P213-L217 PolarHBondContact O-N 3.27Å; C214-L217 PolarHBondContact O-N 3.06Å; A215-L217 PolarHBondContact O-N 3.49Å; L217-H219 VanDerWaalsContact C-N 3.35Å; L217-H219 PolarHBondContact O-N 3.28Å; L217-G220 PolarHBondContact O-N 2.84Å; L217-G220 VanDerWaalsContact O-N 3.14Å; L217-L221 HydrophobicContact CD1-CD1 3.91Å; L217-L221 HydrophobicContact CD1-CG 4.01Å; L217-L221 HydrophobicContact CD2-CD1 4.42Å; L217-L221 HydrophobicContact CG-CD1 3.85Å; L217-L221 HydrophobicContact CG-CG 4.32Å; L217-L221 WeakPolarHBondContact O-CG 3.29Å; L217-L221 PolarHBondContact O-N 3.26Å; L217-L230 HydrophobicContact CD1-CD1 3.87Å; L217-F235 HydrophobicContact CD1-CD2 3.9Å; L217-F235 HydrophobicContact CD1-CE2 4.21Å; L217-H238 VanDerWaalsContact CB-CE1 3.49Å; L217-H238 WeakPolarHBondContact CB-CE1 3.4Å; L217-H238 HydrophobicContact CD1-CB 4.17Å; L217-F240 HydrophobicContact CB-CB 4.34Å; L217-F240 HydrophobicContact CD2-CB 4.26Å; L217-F240 HydrophobicContact CD2-CD1 3.54Å; L217-F240 HydrophobicContact CD2-CE1 4.39Å; L217-F240 HydrophobicContact CD2-CG 4.3Å; L217-I241 HydrophobicContact CD1-CG1 4.5Å; L217-I241 HydrophobicContact CD2-CD1 3.71Å; L217-I241 HydrophobicContact CD2-CG1 4.17Å
218L96.9Very high92Very high1 Ų153 Ų531%0.00528%0.284CS..Hα-helixtrans-62-43.2-176.2-171.859.2000111.6G170 L173 Y174 L177 F178 L204 C214 A215 A216 G220 L221 L222G170-L218 VanDerWaalsContact O-CD1 3.29Å; G170-L218 WeakPolarHBondContact O-CD1 3.44Å; L173-L218 HydrophobicContact CB-CD1 4.13Å; L173-L218 HydrophobicContact CD2-CB 4.29Å; L173-L218 HydrophobicContact CD2-CD1 3.93Å; L173-L218 HydrophobicContact CG-CD1 3.92Å; Y174-L218 HydrophobicContact CD2-CD2 4.13Å; L177-L218 HydrophobicContact CD1-CD2 4.38Å; F178-L218 HydrophobicContact CE2-CD2 3.85Å; L204-L218 HydrophobicContact CD1-CD2 4.1Å; L204-L218 HydrophobicContact CD2-CD2 3.33Å; L204-L218 HydrophobicContact CD2-CG 4.02Å; L204-L218 HydrophobicContact CG-CD2 4.37Å; C214-L218 WeakPolarHBondContact O-CB 3.24Å; C214-L218 PolarHBondContact O-N 3.36Å; A215-L218 PolarHBondContact O-N 3.01Å; A216-L218 PolarHBondContact O-N 3.49Å; L218-G220 VanDerWaalsContact C-N 3.34Å; L218-G220 PolarHBondContact O-N 2.94Å; L218-L221 PolarHBondContact O-N 3.45Å; L218-L222 HydrophobicContact CD1-CD1 3.63Å; L218-L222 HydrophobicContact CD1-CG 4.18Å; L218-L222 HydrophobicContact CG-CD1 3.99Å; L218-L222 WeakPolarHBondContact O-CB 3.38Å; L218-L222 WeakPolarHBondContact O-CG 3.24Å; L218-L222 PolarHBondContact O-N 3.14Å
219H96Very high93.5Very high89 Ų8951.7 Ų51.741%0.41228%0.277SS..Hα-helixtrans-62.8-38.6173.9-77.7-55.8000113A215 A216 L217A215-H219 PolarHBondContact O-CD2 3.27Å; A215-H219 PolarHBondContact O-N 2.96Å; A216-H219 PolarHBondContact O-N 3.01Å; L217-H219 VanDerWaalsContact C-N 3.35Å; L217-H219 PolarHBondContact O-N 3.28Å
220G97.3Very high94.3Very high15 Ų1543.3 Ų43.316%0.15524%0.238CC..Hα-helixtrans-69.9-36.5178.100000113.8A216 L217 L218 L230A216-G220 PolarHBondContact O-N 2.51Å; L217-G220 PolarHBondContact O-N 2.84Å; L217-G220 VanDerWaalsContact O-N 3.14Å; L218-G220 VanDerWaalsContact C-N 3.34Å; L218-G220 PolarHBondContact O-N 2.94Å; G220-L230 PolarHBondContact O-N 2.93Å
221L98Very high94.6Very high0 Ų044.5 Ų44.50%025%0.245CC..Hα-helixtrans-73.5-35.4177-68173.8000112.7L166 I169 L173 L217 L218 K223 R229 L230 F235L166-L221 HydrophobicContact CB-CD2 3.87Å; L166-L221 HydrophobicContact CD2-CD2 4.49Å; I169-L221 HydrophobicContact CG2-CD1 4.02Å; L173-L221 HydrophobicContact CD2-CD1 4.29Å; L217-L221 HydrophobicContact CD1-CD1 3.91Å; L217-L221 HydrophobicContact CD1-CG 4.01Å; L217-L221 HydrophobicContact CD2-CD1 4.42Å; L217-L221 HydrophobicContact CG-CD1 3.85Å; L217-L221 HydrophobicContact CG-CG 4.32Å; L217-L221 WeakPolarHBondContact O-CG 3.29Å; L217-L221 PolarHBondContact O-N 3.26Å; L218-L221 PolarHBondContact O-N 3.45Å; L221-K223 VanDerWaalsContact C-N 3.3Å; L221-K223 PolarHBondContact O-N 3.05Å; L221-R229 WeakPolarHBondContact O-CD 3.49Å; L221-R229 WeakPolarHBondContact O-CG 3.48Å; L221-L230 HydrophobicContact CD2-CB 4.49Å; L221-L230 HydrophobicContact CD2-CD1 4.3Å; L221-L230 HydrophobicContact CG-CD1 4.26Å; L221-F235 HydrophobicContact CD1-CE2 4.33Å; L221-F235 HydrophobicContact CD2-CD2 3.83Å; L221-F235 HydrophobicContact CD2-CE2 4.25Å
222L96.9Very high94.9Very high11 Ų1143.6 Ų43.66%0.05824%0.236CC..THydrogen-bonded Turntrans-92.324.7-175-66.1-178.5000113.9W167 I171 Y174 I202 L218W167-L222 HydrophobicContact CD2-CD2 4.47Å; W167-L222 HydrophobicContact CE3-CD2 4.44Å; I171-L222 HydrophobicContact CD1-CD2 3.65Å; I171-L222 HydrophobicContact CG1-CD2 4.08Å; Y174-L222 HydrophobicContact CD2-CD1 4.46Å; I202-L222 HydrophobicContact CB-CD1 4.37Å; I202-L222 HydrophobicContact CD1-CB 4.18Å; I202-L222 HydrophobicContact CD1-CD1 3.99Å; I202-L222 HydrophobicContact CD1-CD2 4.18Å; I202-L222 HydrophobicContact CD1-CG 4.36Å; I202-L222 HydrophobicContact CG2-CD1 4.16Å; L218-L222 HydrophobicContact CD1-CD1 3.63Å; L218-L222 HydrophobicContact CD1-CG 4.18Å; L218-L222 HydrophobicContact CG-CD1 3.99Å; L218-L222 WeakPolarHBondContact O-CB 3.38Å; L218-L222 WeakPolarHBondContact O-CG 3.24Å; L218-L222 PolarHBondContact O-N 3.14Å
223K95.3Very high95.2Very high84 Ų8443.8 Ų43.837%0.36524%0.239SC..  trans-74.2126.1166.1-68.6-69.9-171.6165.10110L221 E228 R229L221-K223 VanDerWaalsContact C-N 3.3Å; L221-K223 PolarHBondContact O-N 3.05Å; K223-E228 HydrophobicContact CB-CB 4.27Å; K223-E228 HydrophobicContact CD-CB 4.44Å; K223-E228 HydrophobicContact CG-CB 4.36Å; K223-R229 HydrophobicContact CB-CB 3.99Å; K223-R229 HydrophobicContact CB-CG 4.41Å; K223-R229 PolarHBondContact O-NE 3.42Å; K223-R229 PolarHBondContact O-NH2 3.43Å
224R93.2Very high95.5Very high48 Ų4846.5 Ų46.518%0.18125%0.248CC..SBendtrans-66.3-48.2-177.9-66.9-179.559.985.5-2.2111.4P152 W167 L195 M198 P226 R229P152-R224 HydrophobicContact CG-CB 4.11Å; P152-R224 HydrophobicContact CG-CG 4.34Å; W167-R224 HydrophobicContact CH2-CG 3.95Å; W167-R224 HydrophobicContact CZ3-CB 4.47Å; W167-R224 HydrophobicContact CZ3-CG 3.98Å; L195-R224 PolarHBondContact O-NH2 3.2Å; M198-R224 WeakPolarHBondContact O-CD 3.45Å; M198-R224 PolarHBondContact O-NE 3Å; M198-R224 PolarHBondContact O-NH2 2.94Å; R224-P226 WeakPolarHBondContact O-CD 3.33Å; R224-R229 PolarHBondContact O-NH2 2.89Å
225N91.5Very high95.7Very high68 Ų6846.5 Ų46.536%0.36425%0.248SC..SBendtrans-68.3118.7175.1-177.4-0.4000110.6S227 E228 R229N225-S227 VanDerWaalsContact CG-OG 3.28Å; N225-S227 PolarHBondContact ND2-OG 2.81Å; N225-S227 PolarHBondContact O-N 2.79Å; N225-S227 VanDerWaalsContact O-N 3.16Å; N225-S227 PolarHBondContact OD1-N 3.43Å; N225-S227 PolarHBondContact OD1-OG 3.26Å; N225-E228 HydrophobicContact CB-CB 4.32Å; N225-E228 HydrophobicContact CB-CG 4.25Å; N225-E228 PolarHBondContact ND2-OE1 2.89Å; N225-E228 VanDerWaalsContact ND2-OE1 3.11Å; N225-E228 PolarHBondContact O-N 3.45Å; N225-E228 VanDerWaalsContact O-N 3.07Å; N225-R229 PolarHBondContact O-N 3.24Å; N225-R229 VanDerWaalsContact O-N 3.09Å
226P93.4Very high95.8Very high25 Ų2546.7 Ų46.716%0.16225%0.245CC..THydrogen-bonded Turntrans-58.9-26.6-179.2-25.535.7000114.5E153 H161 R224E153-P226 HydrophobicContact CB-CG 3.96Å; E153-P226 VanDerWaalsContact CD-CG 3.45Å; E153-P226 HydrophobicContact CG-CG 3.63Å; H161-P226 HydrophobicContact CB-CB 4.03Å; H161-P226 HydrophobicContact CB-CG 4.38Å; R224-P226 WeakPolarHBondContact O-CD 3.33Å
227S92.6Very high95.9Very high99 Ų9948.3 Ų48.369%0.69225%0.253SS*.THydrogen-bonded Turntrans-76.3-22.1178.468.60000113.6N225N225-S227 VanDerWaalsContact CG-OG 3.28Å; N225-S227 PolarHBondContact ND2-OG 2.81Å; N225-S227 PolarHBondContact O-N 2.79Å; N225-S227 VanDerWaalsContact O-N 3.16Å; N225-S227 PolarHBondContact OD1-N 3.43Å; N225-S227 PolarHBondContact OD1-OG 3.26Å
228E94.6Very high95.8Very high115 Ų11549.4 Ų49.454%0.53726%0.258SS..THydrogen-bonded Turntrans-95.1-18.7175.2-68171.4-143.600112.4K223 N225K223-E228 HydrophobicContact CB-CB 4.27Å; K223-E228 HydrophobicContact CD-CB 4.44Å; K223-E228 HydrophobicContact CG-CB 4.36Å; N225-E228 HydrophobicContact CB-CB 4.32Å; N225-E228 HydrophobicContact CB-CG 4.25Å; N225-E228 PolarHBondContact ND2-OE1 2.89Å; N225-E228 VanDerWaalsContact ND2-OE1 3.11Å; N225-E228 PolarHBondContact O-N 3.45Å; N225-E228 VanDerWaalsContact O-N 3.07Å
229R96.9Very high95.6Very high6 Ų652.8 Ų52.82%0.02328%0.281CS..SBendtrans-66.1144.1175.9-164.3-178.6-56.6146.42.5110E153 S163 L221 K223 R224 N225 N231E153-R229 IonicContact OE1-CZ 2.73Å; E153-R229 IonicContact OE1-NH1 3.16Å; E153-R229 PolarHBondContact OE1-NH1 3.21Å; E153-R229 IonicContact OE1-NH2 2.7Å; E153-R229 PolarHBondContact OE1-NH2 3.43Å; E153-R229 IonicContact OE2-CZ 3.29Å; E153-R229 IonicContact OE2-NH1 2.61Å; E153-R229 IonicContact OE2-NH2 3.64Å; E153-R229 PolarHBondContact OE2-NH2 3.47Å; S163-R229 PolarHBondContact O-NH1 3.22Å; L221-R229 WeakPolarHBondContact O-CD 3.49Å; L221-R229 WeakPolarHBondContact O-CG 3.48Å; K223-R229 HydrophobicContact CB-CB 3.99Å; K223-R229 HydrophobicContact CB-CG 4.41Å; K223-R229 PolarHBondContact O-NE 3.42Å; K223-R229 PolarHBondContact O-NH2 3.43Å; R224-R229 PolarHBondContact O-NH2 2.89Å; N225-R229 PolarHBondContact O-N 3.24Å; N225-R229 VanDerWaalsContact O-N 3.09Å; R229-N231 PolarHBondContact O-N 2.9Å
230L96.9Very high95.5Very high25 Ų2548.9 Ų48.913%0.13126%0.262CS..  trans-48129.1171.4-73.2171.2000109.7L166 L217 G220 L221 Q234L166-L230 WeakPolarHBondContact CD1-O 3.44Å; L217-L230 HydrophobicContact CD1-CD1 3.87Å; G220-L230 PolarHBondContact O-N 2.93Å; L221-L230 HydrophobicContact CD2-CB 4.49Å; L221-L230 HydrophobicContact CD2-CD1 4.3Å; L221-L230 HydrophobicContact CG-CD1 4.26Å; L230-Q234 HydrophobicContact CD2-CB 3.75Å
231N95.5Very high95.4Very high61 Ų6148.1 Ų48.133%0.32626%0.255SS..  trans-79.9174.3169.974.233.8000110.3R229 E233 Q234 F235R229-N231 PolarHBondContact O-N 2.9Å; N231-E233 PolarHBondContact O-N 3.32Å; N231-E233 PolarHBondContact OD1-N 3.45Å; N231-Q234 PolarHBondContact O-N 3.32Å; N231-Q234 WeakPolarHBondContact OD1-CG 3.32Å; N231-Q234 PolarHBondContact OD1-N 3.44Å; N231-F235 WeakPolarHBondContact O-CB 3.35Å; N231-F235 PolarHBondContact O-N 3.39Å
232H95.9Very high95.1Very high22 Ų2249.8 Ų49.810%0.10226%0.263CS..Hα-helixtrans-62.1-42.3-176.9-69.283000112.7K99 P162 F235 F236K99-H232 HydrophobicContact CG-CB 4.47Å; P162-H232 PolarHBondContact O-CE1 3.46Å; H232-F235 PolarHBondContact O-N 3.09Å; H232-F236 HydrophobicContact CB-CD2 4.33Å; H232-F236 HydrophobicContact CB-CE2 3.7Å; H232-F236 HydrophobicContact CB-CZ 4.01Å; H232-F236 AromaticContact CD2-CZ 3.98Å; H232-F236 WeakPolarHBondContact O-CB 3.29Å; H232-F236 WeakPolarHBondContact O-CD2 3.39Å; H232-F236 WeakPolarHBondContact O-CG 3.28Å; H232-F236 PolarHBondContact O-N 3.15Å
233E95.9Very high95Very high140 Ų14050.8 Ų50.865%0.65427%0.269SS*.Hα-helixtrans-63.1-47-180-67131.4-158.200110.9N231 F235 F236 S237N231-E233 PolarHBondContact O-N 3.32Å; N231-E233 PolarHBondContact OD1-N 3.45Å; E233-F235 VanDerWaalsContact C-N 3.32Å; E233-F235 PolarHBondContact O-N 2.89Å; E233-F236 PolarHBondContact O-N 3.38Å; E233-S237 WeakPolarHBondContact O-CB 3.46Å; E233-S237 PolarHBondContact O-N 2.89Å; E233-S237 PolarHBondContact O-OG 2.87Å; E233-S237 VanDerWaalsContact O-OG 3.07Å
234Q97.3Very high94.8Very high95 Ų9552.5 Ų52.544%0.44428%0.282SS..Hα-helixtrans-63.5-37.8177.3-67171.5-37.400112L230 N231 H238L230-Q234 HydrophobicContact CD2-CB 3.75Å; N231-Q234 PolarHBondContact O-N 3.32Å; N231-Q234 WeakPolarHBondContact OD1-CG 3.32Å; N231-Q234 PolarHBondContact OD1-N 3.44Å; Q234-H238 WeakPolarHBondContact O-CB 3.43Å; Q234-H238 PolarHBondContact O-N 3.28Å; Q234-H238 VanDerWaalsContact O-N 3.12Å
235F97.9Very high94.8Very high0 Ų051.1 Ų51.10%028%0.278CS..Hα-helixtrans-64.5-49.5174.2172.3-112000111.4A92 L95 L166 I169 L217 L221 N231 H232 E233 S237 H238 I241A92-F235 HydrophobicContact CB-CE1 3.68Å; A92-F235 HydrophobicContact CB-CZ 4.03Å; L95-F235 HydrophobicContact CD1-CE1 4.22Å; L166-F235 HydrophobicContact CD1-CB 4.33Å; L166-F235 HydrophobicContact CD2-CB 4.19Å; L166-F235 HydrophobicContact CD2-CD1 3.6Å; L166-F235 HydrophobicContact CD2-CD2 4.37Å; L166-F235 HydrophobicContact CD2-CE1 4.03Å; L166-F235 HydrophobicContact CD2-CG 3.79Å; I169-F235 HydrophobicContact CD1-CE1 4.48Å; I169-F235 HydrophobicContact CD1-CZ 4.19Å; I169-F235 HydrophobicContact CG2-CE2 4.35Å; I169-F235 HydrophobicContact CG2-CZ 4.32Å; L217-F235 HydrophobicContact CD1-CD2 3.9Å; L217-F235 HydrophobicContact CD1-CE2 4.21Å; L221-F235 HydrophobicContact CD1-CE2 4.33Å; L221-F235 HydrophobicContact CD2-CD2 3.83Å; L221-F235 HydrophobicContact CD2-CE2 4.25Å; N231-F235 WeakPolarHBondContact O-CB 3.35Å; N231-F235 PolarHBondContact O-N 3.39Å; H232-F235 PolarHBondContact O-N 3.09Å; E233-F235 VanDerWaalsContact C-N 3.32Å; E233-F235 PolarHBondContact O-N 2.89Å; F235-S237 VanDerWaalsContact C-N 3.31Å; F235-S237 PolarHBondContact O-N 3.27Å; F235-H238 VanDerWaalsContact O-CB 3.26Å; F235-H238 WeakPolarHBondContact O-CB 3.29Å; F235-H238 PolarHBondContact O-N 3.08Å; F235-H238 VanDerWaalsContact O-N 3.16Å; F235-I241 HydrophobicContact CD2-CD1 4.37Å; F235-I241 HydrophobicContact CD2-CG1 4.29Å; F235-I241 HydrophobicContact CE2-CD1 3.63Å; F235-I241 HydrophobicContact CE2-CG1 4.02Å; F235-I241 HydrophobicContact CZ-CD1 3.95Å; F235-I241 HydrophobicContact CZ-CG1 4.48Å; F235-I241 WeakPolarHBondContact O-CG1 3.28Å
236F97.4Very high94.8Very high25 Ų2548.3 Ų48.311%0.1126%0.264CS..Hα-helixtrans-65.2-33.2-179.3-58.6-34.3000112.8A92 L95 Q96 H232 E233 H238 L243A92-F236 HydrophobicContact CB-CD1 4.24Å; A92-F236 WeakPolarHBondContact O-CE1 3.32Å; L95-F236 HydrophobicContact CB-CE1 4Å; L95-F236 HydrophobicContact CB-CZ 4.25Å; Q96-F236 VanDerWaalsContact CA-CZ 3.42Å; Q96-F236 HydrophobicContact CB-CD1 4.42Å; Q96-F236 HydrophobicContact CB-CD2 4.39Å; Q96-F236 HydrophobicContact CB-CE1 4.01Å; Q96-F236 HydrophobicContact CB-CE2 3.97Å; Q96-F236 HydrophobicContact CB-CZ 3.78Å; Q96-F236 HydrophobicContact CG-CD2 4.24Å; Q96-F236 HydrophobicContact CG-CE2 4.02Å; Q96-F236 HydrophobicContact CG-CZ 4.35Å; H232-F236 HydrophobicContact CB-CD2 4.33Å; H232-F236 HydrophobicContact CB-CE2 3.7Å; H232-F236 HydrophobicContact CB-CZ 4.01Å; H232-F236 AromaticContact CD2-CZ 3.98Å; H232-F236 WeakPolarHBondContact O-CB 3.29Å; H232-F236 WeakPolarHBondContact O-CD2 3.39Å; H232-F236 WeakPolarHBondContact O-CG 3.28Å; H232-F236 PolarHBondContact O-N 3.15Å; E233-F236 PolarHBondContact O-N 3.38Å; F236-H238 VanDerWaalsContact C-N 3.35Å; F236-L243 HydrophobicContact CB-CD1 3.97Å
237S96.4Very high94.7Very high85 Ų8548.9 Ų48.959%0.59427%0.268SS*.THydrogen-bonded Turntrans-91.39176.772.90000113.7E233 F235E233-S237 WeakPolarHBondContact O-CB 3.46Å; E233-S237 PolarHBondContact O-N 2.89Å; E233-S237 PolarHBondContact O-OG 2.87Å; E233-S237 VanDerWaalsContact O-OG 3.07Å; F235-S237 VanDerWaalsContact C-N 3.31Å; F235-S237 PolarHBondContact O-N 3.27Å
238H96.8Very high94.7Very high23 Ų2346 Ų4611%0.10625%0.247CC..  trans-70.5134.2-174.8-168.3-83.3000110.6P213 L217 Q234 F235 F236 F240 I241 D242P213-H238 PolarHBondContact O-CE1 3.14Å; P213-H238 VanDerWaalsContact O-CE1 3.27Å; L217-H238 VanDerWaalsContact CB-CE1 3.49Å; L217-H238 WeakPolarHBondContact CB-CE1 3.4Å; L217-H238 HydrophobicContact CD1-CB 4.17Å; Q234-H238 WeakPolarHBondContact O-CB 3.43Å; Q234-H238 PolarHBondContact O-N 3.28Å; Q234-H238 VanDerWaalsContact O-N 3.12Å; F235-H238 VanDerWaalsContact O-CB 3.26Å; F235-H238 WeakPolarHBondContact O-CB 3.29Å; F235-H238 PolarHBondContact O-N 3.08Å; F235-H238 VanDerWaalsContact O-N 3.16Å; F236-H238 VanDerWaalsContact C-N 3.35Å; H238-F240 WeakPolarHBondContact ND1-CB 3.47Å; H238-F240 PolarHBondContact ND1-N 3.32Å; H238-F240 VanDerWaalsContact ND1-N 3.15Å; H238-F240 PolarHBondContact O-N 2.86Å; H238-F240 VanDerWaalsContact O-N 3.11Å; H238-I241 HydrophobicContact CB-CB 4.45Å; H238-I241 HydrophobicContact CB-CG1 3.99Å; H238-I241 WeakPolarHBondContact O-CA 3.45Å; H238-I241 WeakPolarHBondContact O-CB 3.47Å; H238-I241 PolarHBondContact O-N 3.35Å; H238-D242 PolarHBondContact O-N 2.97Å; H238-D242 VanDerWaalsContact O-N 3.11Å
239P91.8Very high94.6Very high73 Ų7343 Ų4347%0.47424%0.243SC..THydrogen-bonded Turntrans-57-32.1-176.6-28.234.9000114.7
240F93.8Very high94.5Very high6 Ų648.7 Ų48.73%0.02627%0.269CS..THydrogen-bonded Turntrans-69.2-33.6173.9-171.2-103.9000113.1E81 Q85 L88 P213 C214 L217 H238E81-F240 HydrophobicContact CG-CE2 3.65Å; E81-F240 HydrophobicContact CG-CZ 3.63Å; E81-F240 VanDerWaalsContact OE1-CE2 3.28Å; E81-F240 WeakPolarHBondContact OE1-CE2 3.25Å; Q85-F240 HydrophobicContact CB-CE1 4.26Å; Q85-F240 HydrophobicContact CB-CE2 4.46Å; Q85-F240 HydrophobicContact CB-CZ 3.97Å; Q85-F240 WeakPolarHBondContact CG-O 3.43Å; Q85-F240 PolarHBondContact NE2-O 2.89Å; L88-F240 HydrophobicContact CD1-CD1 3.97Å; L88-F240 HydrophobicContact CD1-CE1 3.74Å; P213-F240 HydrophobicContact CB-CB 3.97Å; P213-F240 HydrophobicContact CB-CD2 4.24Å; C214-F240 HydrophobicContact CB-CD2 3.67Å; C214-F240 HydrophobicContact CB-CE1 4.39Å; C214-F240 HydrophobicContact CB-CE2 3.47Å; C214-F240 VanDerWaalsContact CB-CE2 3.47Å; C214-F240 HydrophobicContact CB-CG 4.26Å; C214-F240 HydrophobicContact CB-CZ 3.84Å; C214-F240 WeakPolarHBondContact SG-CZ 3.45Å; L217-F240 HydrophobicContact CB-CB 4.34Å; L217-F240 HydrophobicContact CD2-CB 4.26Å; L217-F240 HydrophobicContact CD2-CD1 3.54Å; L217-F240 HydrophobicContact CD2-CE1 4.39Å; L217-F240 HydrophobicContact CD2-CG 4.3Å; H238-F240 WeakPolarHBondContact ND1-CB 3.47Å; H238-F240 PolarHBondContact ND1-N 3.32Å; H238-F240 VanDerWaalsContact ND1-N 3.15Å; H238-F240 PolarHBondContact O-N 2.86Å; H238-F240 VanDerWaalsContact O-N 3.11Å
241I95.6Very high94.3Very high0 Ų047.5 Ų47.50%026%0.263CS..THydrogen-bonded Turntrans-73.3-47.1179.3-60.2-64.4000109.8L88 Q89 A92 L217 F235 H238 L243L88-I241 HydrophobicContact CB-CD1 3.61Å; L88-I241 HydrophobicContact CD1-CD1 3.83Å; L88-I241 HydrophobicContact CG-CD1 4.33Å; Q89-I241 WeakPolarHBondContact CG-O 3.24Å; Q89-I241 PolarHBondContact NE2-O 3.31Å; Q89-I241 VanDerWaalsContact NE2-O 3.09Å; A92-I241 HydrophobicContact CB-CG2 3.81Å; L217-I241 HydrophobicContact CD1-CG1 4.5Å; L217-I241 HydrophobicContact CD2-CD1 3.71Å; L217-I241 HydrophobicContact CD2-CG1 4.17Å; F235-I241 HydrophobicContact CD2-CD1 4.37Å; F235-I241 HydrophobicContact CD2-CG1 4.29Å; F235-I241 HydrophobicContact CE2-CD1 3.63Å; F235-I241 HydrophobicContact CE2-CG1 4.02Å; F235-I241 HydrophobicContact CZ-CD1 3.95Å; F235-I241 HydrophobicContact CZ-CG1 4.48Å; F235-I241 WeakPolarHBondContact O-CG1 3.28Å; H238-I241 HydrophobicContact CB-CB 4.45Å; H238-I241 HydrophobicContact CB-CG1 3.99Å; H238-I241 WeakPolarHBondContact O-CA 3.45Å; H238-I241 WeakPolarHBondContact O-CB 3.47Å; H238-I241 PolarHBondContact O-N 3.35Å; I241-L243 HydrophobicContact CG2-CD2 3.81Å; I241-L243 HydrophobicContact CG2-CG 3.77Å
242D92.1Very high94.3Very high34 Ų3446.3 Ų46.318%0.18226%0.256CS..  trans51.961.5174.2-170.411.2000112.7Q89 H238 D244 H245 A246Q89-D242 PolarHBondContact NE2-O 3.38Å; H238-D242 PolarHBondContact O-N 2.97Å; H238-D242 VanDerWaalsContact O-N 3.11Å; D242-D244 PolarHBondContact O-N 3.01Å; D242-H245 PolarHBondContact O-N 3.17Å; D242-H245 IonicContact OD1-CE1 2.73Å; D242-H245 IonicContact OD1-CG 2.58Å; D242-H245 IonicContact OD1-ND1 2.93Å; D242-H245 PolarHBondContact OD1-ND1 3.01Å; D242-H245 WeakPolarHBondContact OD2-CB 3.36Å; D242-H245 IonicContact OD2-CG 3.71Å; D242-H245 IonicContact OD2-ND1 2.7Å; D242-H245 PolarHBondContact OD2-ND1 3.22Å; D242-A246 PolarHBondContact O-N 3.18Å
243L94.7Very high94.3Very high33 Ų3349.8 Ų49.817%0.17328%0.276CS..G310 helixtrans-64.8-23.9-179.2-74.9-174.9000113.1A92 L93 F236 I241 H245 A246A92-L243 HydrophobicContact CB-CD1 4.49Å; A92-L243 HydrophobicContact CB-CD2 3.97Å; L93-L243 HydrophobicContact CD2-CD2 4.1Å; L93-L243 HydrophobicContact CG-CD2 4.03Å; F236-L243 HydrophobicContact CB-CD1 3.97Å; I241-L243 HydrophobicContact CG2-CD2 3.81Å; I241-L243 HydrophobicContact CG2-CG 3.77Å; L243-H245 PolarHBondContact O-N 3.48Å; L243-A246 HydrophobicContact CD2-CB 4.46Å; L243-A246 VanDerWaalsContact O-CB 3.31Å; L243-A246 WeakPolarHBondContact O-CB 3.34Å; L243-A246 PolarHBondContact O-N 3.39Å; L243-A246 VanDerWaalsContact O-N 3.15Å
244D91.6Very high94.3Very high120 Ų12046.3 Ų46.364%0.64226%0.258SS*.G310 helixtrans-62.7-33.6178.1-68.2-34.9000111.6D242 H284D242-D244 PolarHBondContact O-N 3.01Å; D244-H284 PolarHBondContact O-CE1 3.45Å; D244-H284 VanDerWaalsContact O-CE1 3.28Å
245H91.4Very high94.2Very high19 Ų1941.8 Ų41.89%0.08824%0.237CC..G310 helixtrans-103.918.7176.3-53.5106.7000113.7D242 L243 E280 N283 H284 A287D242-H245 PolarHBondContact O-N 3.17Å; D242-H245 IonicContact OD1-CE1 2.73Å; D242-H245 IonicContact OD1-CG 2.58Å; D242-H245 IonicContact OD1-ND1 2.93Å; D242-H245 PolarHBondContact OD1-ND1 3.01Å; D242-H245 WeakPolarHBondContact OD2-CB 3.36Å; D242-H245 IonicContact OD2-CG 3.71Å; D242-H245 IonicContact OD2-ND1 2.7Å; D242-H245 PolarHBondContact OD2-ND1 3.22Å; L243-H245 PolarHBondContact O-N 3.48Å; H245-E280 IonicContact CE1-OE2 3.74Å; H245-E280 PolarHBondContact CE1-OE2 2.99Å; H245-E280 IonicContact NE2-OE2 2.8Å; H245-E280 PolarHBondContact NE2-OE2 3.37Å; H245-E280 VanDerWaalsContact NE2-OE2 3.14Å; H245-N283 WeakPolarHBondContact CD2-CB 3.01Å; H245-N283 VanDerWaalsContact NE2-CB 3.34Å; H245-N283 WeakPolarHBondContact NE2-CB 3.42Å; H245-H284 AromaticContact CD2-CE1 3.54Å; H245-H284 AromaticContact CD2-CG 3.97Å; H245-H284 AromaticContact CD2-ND1 3.61Å; H245-H284 AromaticContact CD2-NE2 3.95Å; H245-H284 AromaticContact NE2-CE1 3.97Å; H245-H284 AromaticContact NE2-NE2 3.96Å; H245-A287 VanDerWaalsContact O-CB 3.24Å; H245-A287 WeakPolarHBondContact O-CB 3.47Å
246A92.5Very high94.1Very high9 Ų942.3 Ų42.37%0.07424%0.242CC..SBendtrans-62129.7171.100000110.5Q89 L93 D242 L243 S248Q89-A246 HydrophobicContact CB-CB 4.27Å; Q89-A246 HydrophobicContact CG-CB 4.35Å; L93-A246 HydrophobicContact CD1-CB 4.38Å; D242-A246 PolarHBondContact O-N 3.18Å; L243-A246 HydrophobicContact CD2-CB 4.46Å; L243-A246 VanDerWaalsContact O-CB 3.31Å; L243-A246 WeakPolarHBondContact O-CB 3.34Å; L243-A246 PolarHBondContact O-N 3.39Å; L243-A246 VanDerWaalsContact O-N 3.15Å; A246-S248 PolarHBondContact O-N 2.82Å; A246-S248 PolarHBondContact O-OG 2.96Å
247P90.7Very high94.1Very high37 Ų3747.6 Ų47.624%0.2427%0.267CS..  trans-54.1121.7179.4-28.735.9000112.8A287 N290P247-A287 WeakPolarHBondContact CB-O 3.21Å; P247-N290 HydrophobicContact CB-CB 4.12Å; P247-N290 HydrophobicContact CG-CB 3.73Å
248S92.7Very high94.1Very high37 Ų3747 Ų4726%0.25925%0.252SS..  trans-151164-176.160.70000112A246 Q250 S251 Y291A246-S248 PolarHBondContact O-N 2.82Å; A246-S248 PolarHBondContact O-OG 2.96Å; S248-Q250 PolarHBondContact O-N 2.89Å; S248-Q250 VanDerWaalsContact O-N 3.16Å; S248-S251 PolarHBondContact N-OG 3.16Å; S248-S251 VanDerWaalsContact O-CB 3.24Å; S248-S251 WeakPolarHBondContact O-CB 3.48Å; S248-S251 PolarHBondContact O-N 3Å; S248-S251 PolarHBondContact O-OG 3.09Å; S248-S251 PolarHBondContact OG-OG 2.96Å; S248-Y291 VanDerWaalsContact C-CG 3.5Å; S248-Y291 VanDerWaalsContact CA-CD2 3.5Å
249A92.6Very high94Very high54 Ų5446 Ų4645%0.44625%0.248SC..THydrogen-bonded Turntrans-56.4-30.3175.400000113.2S251 Y291A249-S251 VanDerWaalsContact C-N 3.33Å; A249-Y291 VanDerWaalsContact CA-CE1 3.47Å; A249-Y291 HydrophobicContact CB-CE1 3.92Å
250Q94.2Very high94.1Very high124 Ų12445.8 Ų45.858%0.57924%0.24SC*.THydrogen-bonded Turntrans-83.1-7.1180-63.6173.57.500113.3S248 L252 D253 K254S248-Q250 PolarHBondContact O-N 2.89Å; S248-Q250 VanDerWaalsContact O-N 3.16Å; Q250-L252 VanDerWaalsContact C-N 3.27Å; Q250-L252 PolarHBondContact O-N 3.07Å; Q250-D253 PolarHBondContact O-N 2.95Å; Q250-D253 VanDerWaalsContact O-N 3.16Å; Q250-K254 WeakPolarHBondContact O-CG 3.49Å; Q250-K254 PolarHBondContact O-N 3.24Å
251S94Very high94.2Very high1 Ų151.6 Ų51.61%0.00726%0.262CS..Hα-helixtrans-60.8-36.9-172.9-62.70000112.3S248 A249 A255S248-S251 PolarHBondContact N-OG 3.16Å; S248-S251 VanDerWaalsContact O-CB 3.24Å; S248-S251 WeakPolarHBondContact O-CB 3.48Å; S248-S251 PolarHBondContact O-N 3Å; S248-S251 PolarHBondContact O-OG 3.09Å; S248-S251 PolarHBondContact OG-OG 2.96Å; A249-S251 VanDerWaalsContact C-N 3.33Å; S251-A255 WeakPolarHBondContact O-CB 3.44Å; S251-A255 PolarHBondContact O-N 3.48Å
252L94.3Very high94.2Very high35 Ų3551.6 Ų51.618%0.18326%0.262CS..Hα-helixtrans-71.2-38.8178-173.764.9000112.1Q250 A255 A256 L285 A288 I301 F375 L378Q250-L252 VanDerWaalsContact C-N 3.27Å; Q250-L252 PolarHBondContact O-N 3.07Å; L252-A255 WeakPolarHBondContact O-CB 3.38Å; L252-A255 PolarHBondContact O-N 2.97Å; L252-A256 PolarHBondContact O-N 3.04Å; L252-L285 HydrophobicContact CD1-CD2 3.98Å; L252-A288 HydrophobicContact CB-CB 4.03Å; L252-A288 HydrophobicContact CD1-CB 4.38Å; L252-I301 HydrophobicContact CD1-CG1 4.37Å; L252-F375 HydrophobicContact CD1-CD2 4.12Å; L252-F375 HydrophobicContact CD1-CE2 3.96Å; L252-F375 HydrophobicContact CD1-CG 4.5Å; L252-F375 HydrophobicContact CD1-CZ 4.27Å; L252-F375 HydrophobicContact CG-CD2 4.09Å; L252-F375 HydrophobicContact CG-CE2 4.3Å; L252-L378 HydrophobicContact CD2-CD1 4.16Å
253D96.1Very high94.3Very high95 Ų9552.9 Ų52.951%0.50827%0.272SS..Hα-helixtrans-67.1-42.4177.6-66.8-31.6000111Q250 A255 A256 E257Q250-D253 PolarHBondContact O-N 2.95Å; Q250-D253 VanDerWaalsContact O-N 3.16Å; D253-A255 VanDerWaalsContact C-N 3.33Å; D253-A255 PolarHBondContact O-N 3.46Å; D253-A256 VanDerWaalsContact O-CB 3.27Å; D253-A256 WeakPolarHBondContact O-CB 3.33Å; D253-A256 PolarHBondContact O-N 2.95Å; D253-A256 VanDerWaalsContact O-N 3.14Å; D253-E257 PolarHBondContact O-N 2.93Å; D253-E257 VanDerWaalsContact O-N 3.08Å
254K96.3Very high94.3Very high67 Ų6757 Ų5729%0.29129%0.29SS..Hα-helixtrans-60.9-42.6173.1-69.2-175.2-178.8-1720111.7Q250 A256 E257 Y258 H284Q250-K254 WeakPolarHBondContact O-CG 3.49Å; Q250-K254 PolarHBondContact O-N 3.24Å; K254-A256 VanDerWaalsContact C-N 3.29Å; K254-A256 PolarHBondContact O-N 3.25Å; K254-E257 PolarHBondContact O-N 3.44Å; K254-Y258 VanDerWaalsContact O-CD2 3.31Å; K254-Y258 WeakPolarHBondContact O-CD2 3.45Å; K254-Y258 PolarHBondContact O-N 3.3Å; K254-H284 HydrophobicContact CB-CB 4.3Å; K254-H284 VanDerWaalsContact CD-CE1 3.45Å; K254-H284 WeakPolarHBondContact CD-CE1 3.47Å
255A95.6Very high94.4Very high0 Ų051.7 Ų51.70%026%0.262CS..Hα-helixtrans-58.7-42.9173.800000111.6S251 L252 D253 E257 Y258 L259 H284 L285S251-A255 WeakPolarHBondContact O-CB 3.44Å; S251-A255 PolarHBondContact O-N 3.48Å; L252-A255 WeakPolarHBondContact O-CB 3.38Å; L252-A255 PolarHBondContact O-N 2.97Å; D253-A255 VanDerWaalsContact C-N 3.33Å; D253-A255 PolarHBondContact O-N 3.46Å; A255-E257 VanDerWaalsContact C-N 3.34Å; A255-E257 PolarHBondContact O-N 3.46Å; A255-Y258 PolarHBondContact O-N 3.45Å; A255-L259 HydrophobicContact CB-CD1 4.36Å; A255-L259 WeakPolarHBondContact O-CB 3.35Å; A255-L259 WeakPolarHBondContact O-CD1 3.43Å; A255-L259 WeakPolarHBondContact O-CG 3.37Å; A255-L259 PolarHBondContact O-N 2.81Å; A255-H284 HydrophobicContact CB-CB 3.69Å; A255-L285 HydrophobicContact CB-CB 4.5Å; A255-L285 HydrophobicContact CB-CD2 3.63Å; A255-L285 HydrophobicContact CB-CG 3.73Å
256A96Very high94.4Very high12 Ų1252.5 Ų52.510%0.09927%0.266CS..Hα-helixtrans-57.7-47178.100000111.6L252 D253 K254 Y258 L259 E260 F375L252-A256 PolarHBondContact O-N 3.04Å; D253-A256 VanDerWaalsContact O-CB 3.27Å; D253-A256 WeakPolarHBondContact O-CB 3.33Å; D253-A256 PolarHBondContact O-N 2.95Å; D253-A256 VanDerWaalsContact O-N 3.14Å; K254-A256 VanDerWaalsContact C-N 3.29Å; K254-A256 PolarHBondContact O-N 3.25Å; A256-Y258 PolarHBondContact O-N 3.28Å; A256-L259 PolarHBondContact O-N 3.05Å; A256-E260 WeakPolarHBondContact O-CB 3.18Å; A256-E260 WeakPolarHBondContact O-CG 3.4Å; A256-E260 PolarHBondContact O-N 3.03Å; A256-F375 HydrophobicContact CB-CD2 3.63Å; A256-F375 HydrophobicContact CB-CE2 3.36Å; A256-F375 HydrophobicContact CB-CZ 4.5Å
257E96.1Very high94.4Very high135 Ų13557 Ų5763%0.63130%0.297SS*.Hα-helixtrans-56.4-48.3-178.3-174.9-179.3168.700112.1D253 K254 A255 R261D253-E257 PolarHBondContact O-N 2.93Å; D253-E257 VanDerWaalsContact O-N 3.08Å; K254-E257 PolarHBondContact O-N 3.44Å; A255-E257 VanDerWaalsContact C-N 3.34Å; A255-E257 PolarHBondContact O-N 3.46Å; E257-R261 WeakPolarHBondContact O-CB 3.49Å; E257-R261 PolarHBondContact O-N 3.23Å
258Y96.3Very high94.5Very high73 Ų7361.1 Ų61.129%0.28632%0.316SS..Hα-helixtrans-68.5-41.5178.1-78.3-72000112.8K254 A255 A256 R261 A262 C277 E280 H284K254-Y258 VanDerWaalsContact O-CD2 3.31Å; K254-Y258 WeakPolarHBondContact O-CD2 3.45Å; K254-Y258 PolarHBondContact O-N 3.3Å; A255-Y258 PolarHBondContact O-N 3.45Å; A256-Y258 PolarHBondContact O-N 3.28Å; Y258-R261 PolarHBondContact O-N 3.48Å; Y258-A262 PolarHBondContact O-N 3.19Å; Y258-C277 WeakPolarHBondContact CB-O 3.21Å; Y258-C277 HydrophobicContact CD1-CB 4.28Å; Y258-E280 HydrophobicContact CD1-CB 3.75Å; Y258-E280 HydrophobicContact CD2-CB 4.03Å; Y258-E280 HydrophobicContact CE1-CB 3.76Å; Y258-E280 HydrophobicContact CE1-CG 4.14Å; Y258-E280 HydrophobicContact CE2-CB 4.02Å; Y258-E280 HydrophobicContact CG-CB 3.89Å; Y258-H284 AromaticContact CD2-CD2 3.63Å; Y258-H284 AromaticContact CE2-CD2 3.6Å; Y258-H284 AromaticContact CE2-NE2 3.59Å
259L95.3Very high94.3Very high3 Ų361.8 Ų61.82%0.01633%0.328CS..Hα-helixtrans-77.4-23.2-175.5-63.8171.1000113.4A255 A256 P263 Y278 L285 H308 L374A255-L259 HydrophobicContact CB-CD1 4.36Å; A255-L259 WeakPolarHBondContact O-CB 3.35Å; A255-L259 WeakPolarHBondContact O-CD1 3.43Å; A255-L259 WeakPolarHBondContact O-CG 3.37Å; A255-L259 PolarHBondContact O-N 2.81Å; A256-L259 PolarHBondContact O-N 3.05Å; L259-P263 WeakPolarHBondContact O-CD 3.46Å; L259-Y278 HydrophobicContact CD2-CD1 3.79Å; L259-Y278 HydrophobicContact CD2-CE1 4.31Å; L259-L285 HydrophobicContact CD1-CD1 3.59Å; L259-L285 HydrophobicContact CD1-CD2 4.35Å; L259-L285 HydrophobicContact CD1-CG 3.9Å; L259-H308 HydrophobicContact CD2-CB 4.21Å; L259-L374 HydrophobicContact CB-CD2 4.23Å
260E95.2Very high94.3Very high68 Ų6863 Ų6332%0.31832%0.324SS..Hα-helixtrans-76.7-32.3168.8-73.2-178178.700111.7A256 Q264 G373 L374A256-E260 WeakPolarHBondContact O-CB 3.18Å; A256-E260 WeakPolarHBondContact O-CG 3.4Å; A256-E260 PolarHBondContact O-N 3.03Å; E260-Q264 PolarHBondContact O-NE2 3.39Å; E260-G373 WeakPolarHBondContact OE1-CA 3.43Å; E260-L374 HydrophobicContact CG-CB 4.29Å; E260-L374 PolarHBondContact OE1-N 3.41Å; E260-L374 VanDerWaalsContact OE1-N 3.13Å
261R95.8Very high94.1Very high128 Ų12858.3 Ų58.348%0.48330%0.302SS..Hα-helixtrans-77.5-36.1178.4-176.2176.2174.9179.7-4.5113.2E257 Y258 Q264 L265E257-R261 WeakPolarHBondContact O-CB 3.49Å; E257-R261 PolarHBondContact O-N 3.23Å; Y258-R261 PolarHBondContact O-N 3.48Å; R261-Q264 WeakPolarHBondContact O-CB 3.4Å; R261-Q264 PolarHBondContact O-N 2.99Å; R261-Q264 VanDerWaalsContact O-N 3.08Å; R261-L265 HydrophobicContact CG-CD1 3.94Å; R261-L265 HydrophobicContact CG-CG 4.23Å; R261-L265 PolarHBondContact O-N 3.26Å; R261-L265 VanDerWaalsContact O-N 3.14Å
262A94.4Very high93.8Very high0 Ų058.5 Ų58.50%030%0.304CS..Hα-helixtrans-56.7-47.1-173.900000114Y258 Q264 L265 E266 C277 Y278Y258-A262 PolarHBondContact O-N 3.19Å; A262-Q264 VanDerWaalsContact C-N 3.25Å; A262-Q264 PolarHBondContact O-N 3.36Å; A262-L265 WeakPolarHBondContact O-CB 3.02Å; A262-L265 PolarHBondContact O-N 2.94Å; A262-L265 VanDerWaalsContact O-N 3.1Å; A262-E266 PolarHBondContact O-N 2.87Å; A262-C277 HydrophobicContact CB-CB 3.75Å; A262-Y278 HydrophobicContact CB-CD1 3.8Å; A262-Y278 HydrophobicContact CB-CD2 3.7Å; A262-Y278 HydrophobicContact CB-CE1 3.68Å; A262-Y278 HydrophobicContact CB-CE2 3.61Å; A262-Y278 HydrophobicContact CB-CG 3.78Å
263P94.3Very high93.6Very high60 Ų6060.1 Ų60.139%0.3931%0.311SS..Hα-helixtrans-62.7-29.3176.3-21.332000114L259 E266 S267L259-P263 WeakPolarHBondContact O-CD 3.46Å; P263-E266 PolarHBondContact O-N 3.38Å; P263-S267 PolarHBondContact O-N 3.39Å
264Q94.7Very high93.4Very high119 Ų11955.6 Ų55.656%0.55629%0.286SS*.Hα-helixtrans-71.2-34.6176.6-57.8171.11.600111.2E260 R261 A262 S267 L268E260-Q264 PolarHBondContact O-NE2 3.39Å; R261-Q264 WeakPolarHBondContact O-CB 3.4Å; R261-Q264 PolarHBondContact O-N 2.99Å; R261-Q264 VanDerWaalsContact O-N 3.08Å; A262-Q264 VanDerWaalsContact C-N 3.25Å; A262-Q264 PolarHBondContact O-N 3.36Å; Q264-S267 PolarHBondContact O-OG 3.33Å; Q264-L268 WeakPolarHBondContact O-CD1 3.29Å; Q264-L268 VanDerWaalsContact O-CG 3.25Å; Q264-L268 WeakPolarHBondContact O-CG 3.48Å; Q264-L268 PolarHBondContact O-N 2.91Å
265L93.8Very high93.1Very high10 Ų1052.5 Ų52.55%0.05227%0.273CS..Hα-helixtrans-70.9-37.9174.2-68.9167.1000111.2R261 A262 L268 G269 K270 E273 A274 C277R261-L265 HydrophobicContact CG-CD1 3.94Å; R261-L265 HydrophobicContact CG-CG 4.23Å; R261-L265 PolarHBondContact O-N 3.26Å; R261-L265 VanDerWaalsContact O-N 3.14Å; A262-L265 WeakPolarHBondContact O-CB 3.02Å; A262-L265 PolarHBondContact O-N 2.94Å; A262-L265 VanDerWaalsContact O-N 3.1Å; L265-L268 PolarHBondContact O-N 3.26Å; L265-G269 PolarHBondContact O-N 3.25Å; L265-K270 HydrophobicContact CB-CB 4.34Å; L265-K270 HydrophobicContact CD2-CB 4.25Å; L265-K270 HydrophobicContact CD2-CD 3.84Å; L265-K270 WeakPolarHBondContact O-CB 3.27Å; L265-K270 PolarHBondContact O-N 2.8Å; L265-E273 HydrophobicContact CD1-CB 3.89Å; L265-E273 HydrophobicContact CD2-CB 4.12Å; L265-E273 HydrophobicContact CG-CB 4.45Å; L265-A274 HydrophobicContact CB-CB 3.75Å; L265-C277 HydrophobicContact CD1-CB 4.24Å; L265-C277 VanDerWaalsContact CD1-SG 3.58Å
266E92.1Very high92.8Very high36 Ų3654.6 Ų54.617%0.16828%0.284CS..Hα-helixtrans-60.7-46.7173-68.3-172.7-95.700112.1A262 P263 L268 G269 A274 Y278 K311 L315A262-E266 PolarHBondContact O-N 2.87Å; P263-E266 PolarHBondContact O-N 3.38Å; E266-L268 PolarHBondContact O-N 3.06Å; E266-G269 PolarHBondContact O-N 2.71Å; E266-A274 HydrophobicContact CB-CB 4.49Å; E266-A274 HydrophobicContact CG-CB 3.54Å; E266-Y278 HydrophobicContact CG-CE2 4.37Å; E266-Y278 WeakPolarHBondContact OE1-CE2 3.48Å; E266-Y278 PolarHBondContact OE1-OH 3.44Å; E266-K311 VanDerWaalsContact CD-CE 3.44Å; E266-K311 WeakPolarHBondContact OE1-CE 3.34Å; E266-K311 IonicContact OE1-NZ 2.75Å; E266-K311 PolarHBondContact OE1-NZ 3.29Å; E266-K311 WeakPolarHBondContact OE2-CE 3.34Å; E266-K311 IonicContact OE2-NZ 3.77Å; E266-K311 PolarHBondContact OE2-NZ 2.93Å; E266-L315 HydrophobicContact CG-CD2 4.47Å
267S91.7Very high92.7Very high102 Ų10254.5 Ų54.571%0.71328%0.283SS*.Hα-helixtrans-65.5-21.7179.868.50000113.4P263 Q264 G269P263-S267 PolarHBondContact O-N 3.39Å; Q264-S267 PolarHBondContact O-OG 3.33Å; S267-G269 VanDerWaalsContact C-N 3.34Å
268L93.3Very high92.5Very high125 Ų12548.5 Ų48.565%0.65425%0.254SS*.THydrogen-bonded Turntrans-87.11.7172.5-67.8171.9000113.5Q264 L265 E266 K270Q264-L268 WeakPolarHBondContact O-CD1 3.29Å; Q264-L268 VanDerWaalsContact O-CG 3.25Å; Q264-L268 WeakPolarHBondContact O-CG 3.48Å; Q264-L268 PolarHBondContact O-N 2.91Å; L265-L268 PolarHBondContact O-N 3.26Å; E266-L268 PolarHBondContact O-N 3.06Å; L268-K270 HydrophobicContact CB-CD 4.21Å; L268-K270 HydrophobicContact CB-CG 4.34Å; L268-K270 PolarHBondContact O-N 3.2Å
269G88.9Confident92.1Very high50 Ų5045.1 Ų45.152%0.51524%0.241SC..THydrogen-bonded Turntrans746.7-17700000114.7L265 E266 S267 L271L265-G269 PolarHBondContact O-N 3.25Å; E266-G269 PolarHBondContact O-N 2.71Å; S267-G269 VanDerWaalsContact C-N 3.34Å; G269-L271 PolarHBondContact O-N 3.32Å
270K91.2Very high92Very high80 Ų8047.4 Ų47.435%0.34825%0.252SS..  trans-8460.6-179.8-67.2170.1154.3-115.20110.9L265 L268 C272 E273 A274L265-K270 HydrophobicContact CB-CB 4.34Å; L265-K270 HydrophobicContact CD2-CB 4.25Å; L265-K270 HydrophobicContact CD2-CD 3.84Å; L265-K270 WeakPolarHBondContact O-CB 3.27Å; L265-K270 PolarHBondContact O-N 2.8Å; L268-K270 HydrophobicContact CB-CD 4.21Å; L268-K270 HydrophobicContact CB-CG 4.34Å; L268-K270 PolarHBondContact O-N 3.2Å; K270-C272 VanDerWaalsContact C-N 3.32Å; K270-C272 PolarHBondContact O-N 2.81Å; K270-E273 HydrophobicContact CB-CB 4.24Å; K270-E273 HydrophobicContact CB-CG 4.4Å; K270-E273 IonicContact NZ-OE1 3.57Å; K270-E273 PolarHBondContact NZ-OE1 3.35Å; K270-E273 IonicContact NZ-OE2 2.77Å; K270-E273 PolarHBondContact NZ-OE2 3.15Å; K270-E273 PolarHBondContact O-N 3.11Å; K270-A274 PolarHBondContact O-N 2.99Å
271L89.9Confident91.9Very high25 Ų2544.2 Ų44.213%0.13124%0.237CC..Hα-helixtrans-62-36.4-168.7-59.4-177.3000113.4G269 A274 Y275 L315 E318 L319 L322G269-L271 PolarHBondContact O-N 3.32Å; L271-A274 PolarHBondContact O-N 2.99Å; L271-Y275 WeakPolarHBondContact O-CB 3.28Å; L271-Y275 PolarHBondContact O-N 3.41Å; L271-L315 HydrophobicContact CB-CD1 4.16Å; L271-L315 HydrophobicContact CD2-CD1 3.96Å; L271-L315 HydrophobicContact CG-CD1 4.48Å; L271-E318 HydrophobicContact CD1-CG 4.39Å; L271-L319 HydrophobicContact CB-CD2 3.67Å; L271-L319 HydrophobicContact CB-CG 4.39Å; L271-L322 HydrophobicContact CD1-CD1 3.52Å
272C88.2Confident91.7Very high6 Ų638.1 Ų38.14%0.04121%0.214CC..Hα-helixtrans-62-49.4174.8-77.50000111.9K270 A274 Y275 D276 C430K270-C272 VanDerWaalsContact C-N 3.32Å; K270-C272 PolarHBondContact O-N 2.81Å; C272-A274 VanDerWaalsContact C-N 3.3Å; C272-A274 PolarHBondContact O-N 3.48Å; C272-Y275 PolarHBondContact O-N 3.28Å; C272-D276 VanDerWaalsContact O-CG 3.3Å; C272-D276 PolarHBondContact O-N 3.48Å; C272-D276 VanDerWaalsContact O-N 3.11Å; C272-C430 HydrophobicContact CB-CB 4.37Å; C272-C430 WeakPolarHBondContact CB-SG 3.44Å; C272-C430 VanDerWaalsContact SG-SG 3.69Å
273E90.9Very high91.4Very high69 Ų6938.4 Ų38.432%0.32222%0.215SC..Hα-helixtrans-64.7-37.1177.9-60.8176.9-136.300111.2L265 K270 D276 C277L265-E273 HydrophobicContact CD1-CB 3.89Å; L265-E273 HydrophobicContact CD2-CB 4.12Å; L265-E273 HydrophobicContact CG-CB 4.45Å; K270-E273 HydrophobicContact CB-CB 4.24Å; K270-E273 HydrophobicContact CB-CG 4.4Å; K270-E273 IonicContact NZ-OE1 3.57Å; K270-E273 PolarHBondContact NZ-OE1 3.35Å; K270-E273 IonicContact NZ-OE2 2.77Å; K270-E273 PolarHBondContact NZ-OE2 3.15Å; K270-E273 PolarHBondContact O-N 3.11Å; E273-D276 PolarHBondContact O-N 2.91Å; E273-C277 PolarHBondContact O-N 3.32Å
274A92.1Very high91.4Very high0 Ų035.9 Ų35.90%020%0.198CC..Hα-helixtrans-63.7-45.2176.100000112L265 E266 K270 L271 C272 D276 C277 Y278 L315L265-A274 HydrophobicContact CB-CB 3.75Å; E266-A274 HydrophobicContact CB-CB 4.49Å; E266-A274 HydrophobicContact CG-CB 3.54Å; K270-A274 PolarHBondContact O-N 2.99Å; L271-A274 PolarHBondContact O-N 2.99Å; C272-A274 VanDerWaalsContact C-N 3.3Å; C272-A274 PolarHBondContact O-N 3.48Å; A274-D276 VanDerWaalsContact C-N 3.28Å; A274-D276 PolarHBondContact O-N 2.88Å; A274-C277 PolarHBondContact O-N 3.46Å; A274-Y278 VanDerWaalsContact O-CD2 3.25Å; A274-Y278 WeakPolarHBondContact O-CD2 3.46Å; A274-Y278 PolarHBondContact O-N 3.36Å; A274-L315 HydrophobicContact CB-CD2 3.96Å
275Y89.3Confident91.3Very high1 Ų130.2 Ų30.20%0.00417%0.172CC..Hα-helixtrans-58.7-41.8176.4175.2-101.4000111.5L271 C272 Y278 L279 T312 K316 L319 K435 L439L271-Y275 WeakPolarHBondContact O-CB 3.28Å; L271-Y275 PolarHBondContact O-N 3.41Å; C272-Y275 PolarHBondContact O-N 3.28Å; Y275-Y278 PolarHBondContact O-N 3.35Å; Y275-L279 WeakPolarHBondContact O-CB 3.46Å; Y275-L279 PolarHBondContact O-N 3.24Å; Y275-T312 HydrophobicContact CD2-CG2 3.95Å; Y275-T312 HydrophobicContact CE2-CG2 3.69Å; Y275-K316 HydrophobicContact CD2-CB 4.32Å; Y275-K316 HydrophobicContact CE2-CB 3.72Å; Y275-K316 HydrophobicContact CE2-CD 4.34Å; Y275-K316 HydrophobicContact CE2-CG 4.02Å; Y275-L319 HydrophobicContact CD1-CD1 4.41Å; Y275-L319 HydrophobicContact CD2-CD1 4.3Å; Y275-L319 HydrophobicContact CG-CD1 3.88Å; Y275-K435 HydrophobicContact CD1-CD 4.19Å; Y275-K435 HydrophobicContact CE1-CB 4.11Å; Y275-K435 HydrophobicContact CE1-CD 3.76Å; Y275-L439 HydrophobicContact CE2-CD1 4.35Å; Y275-L439 WeakPolarHBondContact OH-CD1 3.48Å
276D88.7Confident91Very high45 Ų4530.9 Ų30.924%0.24118%0.175CC..Hα-helixtrans-65-45.8177.1-694.2000111.7C272 E273 A274 Y278 L279 E280 K435C272-D276 VanDerWaalsContact O-CG 3.3Å; C272-D276 PolarHBondContact O-N 3.48Å; C272-D276 VanDerWaalsContact O-N 3.11Å; E273-D276 PolarHBondContact O-N 2.91Å; A274-D276 VanDerWaalsContact C-N 3.28Å; A274-D276 PolarHBondContact O-N 2.88Å; D276-Y278 PolarHBondContact O-N 3.35Å; D276-L279 WeakPolarHBondContact O-CB 3.32Å; D276-L279 PolarHBondContact O-N 3.2Å; D276-E280 WeakPolarHBondContact O-CG 3.43Å; D276-E280 PolarHBondContact O-N 2.83Å; D276-K435 VanDerWaalsContact CG-CE 3.46Å; D276-K435 WeakPolarHBondContact OD1-CD 3.32Å; D276-K435 WeakPolarHBondContact OD1-CE 3.17Å; D276-K435 IonicContact OD1-NZ 2.66Å; D276-K435 PolarHBondContact OD1-NZ 3.5Å; D276-K435 IonicContact OD2-NZ 3.23Å; D276-K435 PolarHBondContact OD2-NZ 3.39Å
277C93.7Very high90.9Very high10 Ų1029.3 Ų29.37%0.06817%0.168CC..Hα-helixtrans-60.6-42.6174.9-81.10000112.2Y258 A262 L265 E273 A274 L279 E280 G281Y258-C277 WeakPolarHBondContact CB-O 3.21Å; Y258-C277 HydrophobicContact CD1-CB 4.28Å; A262-C277 HydrophobicContact CB-CB 3.75Å; L265-C277 HydrophobicContact CD1-CB 4.24Å; L265-C277 VanDerWaalsContact CD1-SG 3.58Å; E273-C277 PolarHBondContact O-N 3.32Å; A274-C277 PolarHBondContact O-N 3.46Å; C277-L279 VanDerWaalsContact C-N 3.29Å; C277-L279 PolarHBondContact O-N 2.94Å; C277-E280 PolarHBondContact O-N 2.77Å; C277-G281 PolarHBondContact O-N 3.43Å
278Y91.8Very high90.9Very high9 Ų924.6 Ų24.64%0.03514%0.136CC..Hα-helixtrans-60.6-41.5176.2-86.1-55.5000112.7L259 A262 E266 A274 Y275 D276 G281 L282 H308 K311 T312 L315L259-Y278 HydrophobicContact CD2-CD1 3.79Å; L259-Y278 HydrophobicContact CD2-CE1 4.31Å; A262-Y278 HydrophobicContact CB-CD1 3.8Å; A262-Y278 HydrophobicContact CB-CD2 3.7Å; A262-Y278 HydrophobicContact CB-CE1 3.68Å; A262-Y278 HydrophobicContact CB-CE2 3.61Å; A262-Y278 HydrophobicContact CB-CG 3.78Å; E266-Y278 HydrophobicContact CG-CE2 4.37Å; E266-Y278 WeakPolarHBondContact OE1-CE2 3.48Å; E266-Y278 PolarHBondContact OE1-OH 3.44Å; A274-Y278 VanDerWaalsContact O-CD2 3.25Å; A274-Y278 WeakPolarHBondContact O-CD2 3.46Å; A274-Y278 PolarHBondContact O-N 3.36Å; Y275-Y278 PolarHBondContact O-N 3.35Å; D276-Y278 PolarHBondContact O-N 3.35Å; Y278-G281 PolarHBondContact O-N 3.13Å; Y278-L282 WeakPolarHBondContact O-CB 3.44Å; Y278-L282 VanDerWaalsContact O-CG 3.32Å; Y278-L282 WeakPolarHBondContact O-CG 3.42Å; Y278-L282 PolarHBondContact O-N 3.39Å; Y278-H308 AromaticContact CE1-ND1 3.76Å; Y278-K311 HydrophobicContact CE1-CG 3.95Å; Y278-K311 HydrophobicContact CE2-CG 3.9Å; Y278-K311 WeakPolarHBondContact OH-CE 3.37Å; Y278-T312 WeakPolarHBondContact CB-OG1 3.46Å; Y278-L315 HydrophobicContact CD2-CD2 3.88Å; Y278-L315 HydrophobicContact CE2-CD2 4.18Å
279L88.6Confident90.6Very high1 Ų119.1 Ų19.11%0.00511%0.106CC..Hα-helixtrans-67-45.7-179.9-169.179.3000112.8Y275 D276 C277 G281 L282 N283 K435 I438 L439Y275-L279 WeakPolarHBondContact O-CB 3.46Å; Y275-L279 PolarHBondContact O-N 3.24Å; D276-L279 WeakPolarHBondContact O-CB 3.32Å; D276-L279 PolarHBondContact O-N 3.2Å; C277-L279 VanDerWaalsContact C-N 3.29Å; C277-L279 PolarHBondContact O-N 2.94Å; L279-G281 VanDerWaalsContact C-N 3.32Å; L279-L282 WeakPolarHBondContact O-CB 3.02Å; L279-L282 PolarHBondContact O-N 3.45Å; L279-N283 PolarHBondContact O-N 3.08Å; L279-K435 HydrophobicContact CD2-CB 3.34Å; L279-K435 HydrophobicContact CD2-CD 3.64Å; L279-K435 HydrophobicContact CD2-CG 3.22Å; L279-I438 HydrophobicContact CD1-CB 3.84Å; L279-I438 HydrophobicContact CD1-CG2 3.4Å; L279-I438 VanDerWaalsContact CD1-CG2 3.4Å; L279-I438 HydrophobicContact CD2-CB 4.28Å; L279-I438 HydrophobicContact CD2-CD1 3.57Å; L279-I438 HydrophobicContact CD2-CG2 4.36Å; L279-I438 HydrophobicContact CG-CB 4.16Å; L279-I438 HydrophobicContact CG-CD1 4.04Å; L279-I438 HydrophobicContact CG-CG2 3.72Å; L279-L439 HydrophobicContact CD1-CD1 4.43Å; L279-L439 HydrophobicContact CD1-CD2 4.43Å; L279-L439 HydrophobicContact CD1-CG 3.86Å
280E92.6Very high90.4Very high52 Ų5217.9 Ų17.924%0.2439%0.088CC..Hα-helixtrans-62.4-42174.6-69.2-58.1119.700111H245 Y258 D276 C277 L282 N283 H284H245-E280 IonicContact CE1-OE2 3.74Å; H245-E280 PolarHBondContact CE1-OE2 2.99Å; H245-E280 IonicContact NE2-OE2 2.8Å; H245-E280 PolarHBondContact NE2-OE2 3.37Å; H245-E280 VanDerWaalsContact NE2-OE2 3.14Å; Y258-E280 HydrophobicContact CD1-CB 3.75Å; Y258-E280 HydrophobicContact CD2-CB 4.03Å; Y258-E280 HydrophobicContact CE1-CB 3.76Å; Y258-E280 HydrophobicContact CE1-CG 4.14Å; Y258-E280 HydrophobicContact CE2-CB 4.02Å; Y258-E280 HydrophobicContact CG-CB 3.89Å; D276-E280 WeakPolarHBondContact O-CG 3.43Å; D276-E280 PolarHBondContact O-N 2.83Å; C277-E280 PolarHBondContact O-N 2.77Å; E280-L282 VanDerWaalsContact C-N 3.33Å; E280-L282 PolarHBondContact O-N 3.21Å; E280-N283 PolarHBondContact O-N 3.29Å; E280-H284 PolarHBondContact O-CD2 2.92Å; E280-H284 PolarHBondContact O-N 2.87Å
281G94.5Very high90.3Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-56.6-44.5172.100000112.7C277 Y278 L279 H284 L285C277-G281 PolarHBondContact O-N 3.43Å; Y278-G281 PolarHBondContact O-N 3.13Å; L279-G281 VanDerWaalsContact C-N 3.32Å; G281-H284 PolarHBondContact O-N 3.32Å; G281-L285 WeakPolarHBondContact O-CG 3.34Å; G281-L285 PolarHBondContact O-N 2.76Å
282L89.8Confident90.2Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-65.4-40.4176.4-77.7167.6000113.2Y278 L279 E280 L285 M286 I305 H308 L309 T312 I442Y278-L282 WeakPolarHBondContact O-CB 3.44Å; Y278-L282 VanDerWaalsContact O-CG 3.32Å; Y278-L282 WeakPolarHBondContact O-CG 3.42Å; Y278-L282 PolarHBondContact O-N 3.39Å; L279-L282 WeakPolarHBondContact O-CB 3.02Å; L279-L282 PolarHBondContact O-N 3.45Å; E280-L282 VanDerWaalsContact C-N 3.33Å; E280-L282 PolarHBondContact O-N 3.21Å; L282-L285 PolarHBondContact O-N 2.87Å; L282-M286 PolarHBondContact O-N 3.16Å; L282-I305 HydrophobicContact CD2-CG2 3.92Å; L282-I305 WeakPolarHBondContact CD2-O 3.47Å; L282-H308 HydrophobicContact CD2-CB 3.76Å; L282-H308 HydrophobicContact CG-CB 4.21Å; L282-L309 HydrophobicContact CD1-CD1 4.41Å; L282-L309 HydrophobicContact CD2-CB 4.36Å; L282-T312 HydrophobicContact CD1-CG2 4.23Å; L282-T312 VanDerWaalsContact CD1-OG1 3.23Å; L282-T312 WeakPolarHBondContact CD1-OG1 3.11Å; L282-I442 HydrophobicContact CB-CD1 3.62Å; L282-I442 HydrophobicContact CD1-CD1 4.05Å; L282-I442 HydrophobicContact CG-CD1 4.33Å
283N89.3Confident90Very high6 Ų628.9 Ų28.93%0.03213%0.126CC..Hα-helixtrans-61.6-45174.6-77.6-37.6000111.5H245 L279 E280 M286 A287 I438H245-N283 WeakPolarHBondContact CD2-CB 3.01Å; H245-N283 VanDerWaalsContact NE2-CB 3.34Å; H245-N283 WeakPolarHBondContact NE2-CB 3.42Å; L279-N283 PolarHBondContact O-N 3.08Å; E280-N283 PolarHBondContact O-N 3.29Å; N283-M286 WeakPolarHBondContact O-CB 3.45Å; N283-M286 PolarHBondContact O-N 3.33Å; N283-M286 VanDerWaalsContact OD1-CE 3.22Å; N283-M286 WeakPolarHBondContact OD1-CE 3.02Å; N283-A287 PolarHBondContact O-N 3.34Å; N283-I438 VanDerWaalsContact ND2-CD1 3.33Å; N283-I438 WeakPolarHBondContact ND2-CD1 3.28Å; N283-I438 WeakPolarHBondContact OD1-CG2 3.4Å
284H94.7Very high89.7Confident8 Ų828.4 Ų28.44%0.03713%0.126CC..Hα-helixtrans-65.9-35.7175.4-77.4-51.8000112.9D244 H245 K254 A255 Y258 E280 G281 A287 A288D244-H284 PolarHBondContact O-CE1 3.45Å; D244-H284 VanDerWaalsContact O-CE1 3.28Å; H245-H284 AromaticContact CD2-CE1 3.54Å; H245-H284 AromaticContact CD2-CG 3.97Å; H245-H284 AromaticContact CD2-ND1 3.61Å; H245-H284 AromaticContact CD2-NE2 3.95Å; H245-H284 AromaticContact NE2-CE1 3.97Å; H245-H284 AromaticContact NE2-NE2 3.96Å; K254-H284 HydrophobicContact CB-CB 4.3Å; K254-H284 VanDerWaalsContact CD-CE1 3.45Å; K254-H284 WeakPolarHBondContact CD-CE1 3.47Å; A255-H284 HydrophobicContact CB-CB 3.69Å; Y258-H284 AromaticContact CD2-CD2 3.63Å; Y258-H284 AromaticContact CE2-CD2 3.6Å; Y258-H284 AromaticContact CE2-NE2 3.59Å; E280-H284 PolarHBondContact O-CD2 2.92Å; E280-H284 PolarHBondContact O-N 2.87Å; G281-H284 PolarHBondContact O-N 3.32Å; H284-A287 WeakPolarHBondContact O-CB 3.19Å; H284-A287 PolarHBondContact O-N 3.41Å; H284-A288 WeakPolarHBondContact O-CB 3.4Å; H284-A288 PolarHBondContact O-N 2.72Å
285L92.1Very high89.1Confident0 Ų039.2 Ų39.20%017%0.167CC..Hα-helixtrans-64.4-39.4171.7-74.1179.1000112L252 A255 L259 G281 L282 A287 A288 Y289 I301 L304 I305 F375L252-L285 HydrophobicContact CD1-CD2 3.98Å; A255-L285 HydrophobicContact CB-CB 4.5Å; A255-L285 HydrophobicContact CB-CD2 3.63Å; A255-L285 HydrophobicContact CB-CG 3.73Å; L259-L285 HydrophobicContact CD1-CD1 3.59Å; L259-L285 HydrophobicContact CD1-CD2 4.35Å; L259-L285 HydrophobicContact CD1-CG 3.9Å; G281-L285 WeakPolarHBondContact O-CG 3.34Å; G281-L285 PolarHBondContact O-N 2.76Å; L282-L285 PolarHBondContact O-N 2.87Å; L285-A287 VanDerWaalsContact C-N 3.34Å; L285-A288 PolarHBondContact O-N 3.2Å; L285-Y289 PolarHBondContact O-N 3.23Å; L285-I301 HydrophobicContact CD2-CG2 4.41Å; L285-I301 WeakPolarHBondContact O-CG2 3.13Å; L285-L304 HydrophobicContact CD1-CB 3.99Å; L285-L304 HydrophobicContact CD2-CB 4.39Å; L285-I305 HydrophobicContact CB-CD1 4.17Å; L285-I305 HydrophobicContact CB-CG1 3.49Å; L285-I305 VanDerWaalsContact CB-CG1 3.49Å; L285-I305 HydrophobicContact CD1-CG1 3.95Å; L285-I305 HydrophobicContact CG-CG1 4.33Å; L285-F375 HydrophobicContact CD2-CZ 4.29Å
286M86.9Confident88.9Confident23 Ų2344 Ų4411%0.11319%0.187CC..Hα-helixtrans-61.3-44.2172.6-76.6-165.6-68.400111.4L282 N283 A288 Y289 N290 I442L282-M286 PolarHBondContact O-N 3.16Å; N283-M286 WeakPolarHBondContact O-CB 3.45Å; N283-M286 PolarHBondContact O-N 3.33Å; N283-M286 VanDerWaalsContact OD1-CE 3.22Å; N283-M286 WeakPolarHBondContact OD1-CE 3.02Å; M286-A288 VanDerWaalsContact C-N 3.34Å; M286-Y289 PolarHBondContact O-N 3.44Å; M286-N290 PolarHBondContact O-N 3.31Å; M286-N290 VanDerWaalsContact O-N 3.08Å; M286-N290 PolarHBondContact O-ND2 3.27Å; M286-I442 HydrophobicContact CE-CD1 4.05Å; M286-I442 HydrophobicContact CE-CG1 3.29Å; M286-I442 HydrophobicContact CG-CG1 4.11Å; M286-I442 HydrophobicContact SD-CB 4.11Å; M286-I442 HydrophobicContact SD-CG1 3.36Å; M286-I442 WeakPolarHBondContact SD-CG1 3.45Å
287A90.1Very high88.8Confident3 Ų342.5 Ų42.53%0.02518%0.179CC..Hα-helixtrans-59.5-45.3175.200000111.1H245 P247 N283 H284 L285 Y289 N290 Y291H245-A287 VanDerWaalsContact O-CB 3.24Å; H245-A287 WeakPolarHBondContact O-CB 3.47Å; P247-A287 WeakPolarHBondContact CB-O 3.21Å; N283-A287 PolarHBondContact O-N 3.34Å; H284-A287 WeakPolarHBondContact O-CB 3.19Å; H284-A287 PolarHBondContact O-N 3.41Å; L285-A287 VanDerWaalsContact C-N 3.34Å; A287-Y289 PolarHBondContact O-N 3.1Å; A287-N290 PolarHBondContact O-N 3.02Å; A287-Y291 PolarHBondContact O-N 3.32Å
288A92Very high88.4Confident4 Ų443.7 Ų43.73%0.03318%0.183CC..Hα-helixtrans-60.7-44.8176.400000112.1L252 H284 L285 M286 N290 Y291 E292 I301L252-A288 HydrophobicContact CB-CB 4.03Å; L252-A288 HydrophobicContact CD1-CB 4.38Å; H284-A288 WeakPolarHBondContact O-CB 3.4Å; H284-A288 PolarHBondContact O-N 2.72Å; L285-A288 PolarHBondContact O-N 3.2Å; M286-A288 VanDerWaalsContact C-N 3.34Å; A288-N290 VanDerWaalsContact C-N 3.26Å; A288-N290 PolarHBondContact O-N 3.21Å; A288-Y291 PolarHBondContact O-N 2.83Å; A288-E292 WeakPolarHBondContact O-CB 3.35Å; A288-E292 PolarHBondContact O-N 2.96Å; A288-I301 HydrophobicContact CB-CD1 4.26Å
289Y87.8Confident87.7Confident10 Ų1046.3 Ų46.34%0.03920%0.202CC..Hα-helixtrans-58.4-41.1175.8-179.4-80.8000112L285 M286 A287 K298 I301 R302 W445 Q449L285-Y289 PolarHBondContact O-N 3.23Å; M286-Y289 PolarHBondContact O-N 3.44Å; A287-Y289 PolarHBondContact O-N 3.1Å; Y289-K298 HydrophobicContact CD2-CB 4.17Å; Y289-K298 HydrophobicContact CD2-CG 4.35Å; Y289-K298 HydrophobicContact CE1-CD 4.13Å; Y289-K298 HydrophobicContact CE2-CB 3.8Å; Y289-K298 HydrophobicContact CE2-CD 4.18Å; Y289-K298 HydrophobicContact CE2-CG 4.22Å; Y289-K298 WeakPolarHBondContact CE2-O 3.28Å; Y289-K298 VanDerWaalsContact O-CE 3.27Å; Y289-K298 WeakPolarHBondContact O-CE 3.28Å; Y289-I301 HydrophobicContact CD2-CB 4.49Å; Y289-I301 HydrophobicContact CD2-CG2 4.4Å; Y289-R302 HydrophobicContact CD2-CB 4.45Å; Y289-R302 HydrophobicContact CE2-CB 4.17Å; Y289-R302 PolarHBondContact OH-NH2 3.32Å; Y289-W445 HydrophobicContact CD1-CH2 4.26Å; Y289-W445 AromaticContact CD1-CZ2 3.36Å; Y289-W445 HydrophobicContact CD1-CZ2 3.36Å; Y289-W445 AromaticContact CD2-CH2 3.85Å; Y289-W445 HydrophobicContact CD2-CH2 3.85Å; Y289-W445 AromaticContact CD2-CZ2 3.78Å; Y289-W445 HydrophobicContact CD2-CZ2 3.78Å; Y289-W445 HydrophobicContact CE1-CH2 4.32Å; Y289-W445 AromaticContact CE1-CZ2 3.4Å; Y289-W445 HydrophobicContact CE1-CZ2 3.4Å; Y289-W445 VanDerWaalsContact CE1-CZ2 3.4Å; Y289-W445 AromaticContact CE2-CH2 3.9Å; Y289-W445 HydrophobicContact CE2-CH2 3.9Å; Y289-W445 AromaticContact CE2-CZ2 3.8Å; Y289-W445 HydrophobicContact CE2-CZ2 3.8Å; Y289-W445 AromaticContact CG-CH2 4Å; Y289-W445 HydrophobicContact CG-CH2 4Å; Y289-W445 AromaticContact CG-CZ2 3.52Å; Y289-W445 HydrophobicContact CG-CZ2 3.52Å; Y289-W445 AromaticContact CZ-CZ2 3.58Å; Y289-Q449 PolarHBondContact OH-OE1 3.39Å
290N84Confident87.8Confident23 Ų2349.5 Ų49.512%0.12322%0.217CC..Hα-helixtrans-73.1-30.8-178-65.5-34.6000112.3R86 P247 M286 A287 A288R86-N290 PolarHBondContact NH1-OD1 3.48Å; R86-N290 PolarHBondContact NH2-ND2 3.2Å; R86-N290 VanDerWaalsContact NH2-ND2 3.1Å; R86-N290 PolarHBondContact NH2-OD1 3.31Å; P247-N290 HydrophobicContact CB-CB 4.12Å; P247-N290 HydrophobicContact CG-CB 3.73Å; M286-N290 PolarHBondContact O-N 3.31Å; M286-N290 VanDerWaalsContact O-N 3.08Å; M286-N290 PolarHBondContact O-ND2 3.27Å; A287-N290 PolarHBondContact O-N 3.02Å; A288-N290 VanDerWaalsContact C-N 3.26Å; A288-N290 PolarHBondContact O-N 3.21Å
291Y88.6Confident87.5Confident100 Ų10047.1 Ų47.139%0.39221%0.206SC..Hα-helixtrans-73.1-41.3174.2-178.3-99.9000112.3S248 A249 A287 A288S248-Y291 VanDerWaalsContact C-CG 3.5Å; S248-Y291 VanDerWaalsContact CA-CD2 3.5Å; A249-Y291 VanDerWaalsContact CA-CE1 3.47Å; A249-Y291 HydrophobicContact CB-CE1 3.92Å; A287-Y291 PolarHBondContact O-N 3.32Å; A288-Y291 PolarHBondContact O-N 2.83Å
292E88.3Confident87Confident30 Ų3050.5 Ų50.514%0.1422%0.219CC..  trans-57.2145.1-176.1-17652.9-104.900111.8A288 L294 K297 K298 I301A288-E292 WeakPolarHBondContact O-CB 3.35Å; A288-E292 PolarHBondContact O-N 2.96Å; E292-L294 WeakPolarHBondContact OE1-CB 3.5Å; E292-L294 PolarHBondContact OE1-N 3.48Å; E292-K297 HydrophobicContact CG-CB 3.54Å; E292-K297 WeakPolarHBondContact OE2-CB 3.47Å; E292-K297 WeakPolarHBondContact OE2-CD 3.33Å; E292-K298 VanDerWaalsContact C-CE 3.46Å; E292-K298 HydrophobicContact CB-CG 3.91Å; E292-K298 HydrophobicContact CG-CG 3.67Å; E292-K298 WeakPolarHBondContact O-CE 3.34Å; E292-K298 PolarHBondContact O-NZ 2.91Å; E292-I301 HydrophobicContact CB-CD1 3.99Å; E292-I301 HydrophobicContact CG-CD1 4.19Å
293R84Confident86.8Confident212 Ų21257.1 Ų57.180%0.825%0.248SC*.  trans-113.7-29.7178.9-63.5-177-177.9172.12.6112
294L83.8Confident86.8Confident59 Ų5958.3 Ų58.331%0.30925%0.254SS..  trans-79.7124.9-176.1-63.6170.1000110.7E292 F296 K297 K298 E381E292-L294 WeakPolarHBondContact OE1-CB 3.5Å; E292-L294 PolarHBondContact OE1-N 3.48Å; L294-F296 VanDerWaalsContact C-N 3.28Å; L294-F296 HydrophobicContact CB-CD1 3.93Å; L294-F296 HydrophobicContact CB-CE1 3.72Å; L294-F296 HydrophobicContact CB-CZ 4.43Å; L294-F296 HydrophobicContact CD1-CE1 3.7Å; L294-F296 HydrophobicContact CD1-CZ 3.96Å; L294-F296 HydrophobicContact CD2-CE1 4.34Å; L294-F296 HydrophobicContact CG-CE1 4.12Å; L294-F296 PolarHBondContact O-N 2.82Å; L294-K297 HydrophobicContact CB-CB 4.25Å; L294-K297 HydrophobicContact CB-CD 4.29Å; L294-K297 HydrophobicContact CB-CG 4.14Å; L294-K297 HydrophobicContact CD1-CD 3.83Å; L294-K297 HydrophobicContact CD1-CG 4.37Å; L294-K297 PolarHBondContact O-N 3.28Å; L294-K298 PolarHBondContact O-N 3.33Å; L294-E381 VanDerWaalsContact CD1-OE2 3.28Å; L294-E381 WeakPolarHBondContact CD1-OE2 3.13Å
295R81Confident86.4Confident228 Ų22857.9 Ų57.986%0.8625%0.252SS*.Hα-helixtrans-56.5-40.7-177.4-70.5-172.7179.8-172.81.9112.5K298 S299R295-K298 PolarHBondContact O-N 3.18Å; R295-S299 PolarHBondContact O-N 3.08Å
296F84.3Confident85.8Confident100 Ų10062.7 Ų62.744%0.43927%0.273SS..Hα-helixtrans-66.4-45.6-179.476.8-93.3000112L294 K298 S299 Q300 P379L294-F296 VanDerWaalsContact C-N 3.28Å; L294-F296 HydrophobicContact CB-CD1 3.93Å; L294-F296 HydrophobicContact CB-CE1 3.72Å; L294-F296 HydrophobicContact CB-CZ 4.43Å; L294-F296 HydrophobicContact CD1-CE1 3.7Å; L294-F296 HydrophobicContact CD1-CZ 3.96Å; L294-F296 HydrophobicContact CD2-CE1 4.34Å; L294-F296 HydrophobicContact CG-CE1 4.12Å; L294-F296 PolarHBondContact O-N 2.82Å; F296-K298 VanDerWaalsContact C-N 3.34Å; F296-K298 PolarHBondContact O-N 2.93Å; F296-S299 WeakPolarHBondContact O-CB 3.47Å; F296-S299 PolarHBondContact O-N 3.41Å; F296-S299 VanDerWaalsContact O-N 3.1Å; F296-Q300 PolarHBondContact O-N 3.47Å; F296-Q300 VanDerWaalsContact O-N 3.08Å; F296-P379 HydrophobicContact CE2-CG 3.91Å; F296-P379 HydrophobicContact CZ-CG 4.24Å
297K86.9Confident85.7Confident15 Ų1565.4 Ų65.47%0.06529%0.288CS..Hα-helixtrans-62.7-40.9175.6-66-172.5-179.8171.10111.1E292 L294 S299 Q300 I301 L378 P379 E381E292-K297 HydrophobicContact CG-CB 3.54Å; E292-K297 WeakPolarHBondContact OE2-CB 3.47Å; E292-K297 WeakPolarHBondContact OE2-CD 3.33Å; L294-K297 HydrophobicContact CB-CB 4.25Å; L294-K297 HydrophobicContact CB-CD 4.29Å; L294-K297 HydrophobicContact CB-CG 4.14Å; L294-K297 HydrophobicContact CD1-CD 3.83Å; L294-K297 HydrophobicContact CD1-CG 4.37Å; L294-K297 PolarHBondContact O-N 3.28Å; K297-S299 VanDerWaalsContact C-N 3.28Å; K297-S299 PolarHBondContact O-N 3.25Å; K297-Q300 PolarHBondContact O-N 3.11Å; K297-I301 WeakPolarHBondContact O-CG1 3.42Å; K297-I301 PolarHBondContact O-N 3.08Å; K297-L378 HydrophobicContact CB-CD2 4.25Å; K297-L378 HydrophobicContact CG-CD2 4.16Å; K297-P379 WeakPolarHBondContact CE-O 3.43Å; K297-P379 PolarHBondContact NZ-O 3.1Å; K297-E381 IonicContact NZ-OE2 2.76Å; K297-E381 PolarHBondContact NZ-OE2 3.5Å
298K84.5Confident85.7Confident35 Ų3566.6 Ų66.615%0.15229%0.293CS..Hα-helixtrans-57.6-40.5172.2-75-160.7179.7-165.40112.8Y289 E292 L294 R295 F296 R302Y289-K298 HydrophobicContact CD2-CB 4.17Å; Y289-K298 HydrophobicContact CD2-CG 4.35Å; Y289-K298 HydrophobicContact CE1-CD 4.13Å; Y289-K298 HydrophobicContact CE2-CB 3.8Å; Y289-K298 HydrophobicContact CE2-CD 4.18Å; Y289-K298 HydrophobicContact CE2-CG 4.22Å; Y289-K298 WeakPolarHBondContact CE2-O 3.28Å; Y289-K298 VanDerWaalsContact O-CE 3.27Å; Y289-K298 WeakPolarHBondContact O-CE 3.28Å; E292-K298 VanDerWaalsContact C-CE 3.46Å; E292-K298 HydrophobicContact CB-CG 3.91Å; E292-K298 HydrophobicContact CG-CG 3.67Å; E292-K298 WeakPolarHBondContact O-CE 3.34Å; E292-K298 PolarHBondContact O-NZ 2.91Å; L294-K298 PolarHBondContact O-N 3.33Å; R295-K298 PolarHBondContact O-N 3.18Å; F296-K298 VanDerWaalsContact C-N 3.34Å; F296-K298 PolarHBondContact O-N 2.93Å; K298-R302 VanDerWaalsContact O-CB 3.28Å; K298-R302 WeakPolarHBondContact O-CB 3.39Å; K298-R302 PolarHBondContact O-N 3Å
299S78.6Confident85.2Confident63 Ų6367.2 Ų67.244%0.44130%0.295SS..Hα-helixtrans-63.7-43.5177.7-162.40000111.5R295 F296 K297 R302 K303R295-S299 PolarHBondContact O-N 3.08Å; F296-S299 WeakPolarHBondContact O-CB 3.47Å; F296-S299 PolarHBondContact O-N 3.41Å; F296-S299 VanDerWaalsContact O-N 3.1Å; K297-S299 VanDerWaalsContact C-N 3.28Å; K297-S299 PolarHBondContact O-N 3.25Å; S299-R302 WeakPolarHBondContact O-CB 3.45Å; S299-R302 PolarHBondContact O-N 3.45Å; S299-K303 PolarHBondContact O-N 2.99Å
300Q89.4Confident84.8Confident68 Ų6870.9 Ų70.932%0.31832%0.315SS..Hα-helixtrans-63.3-47.5175.8-70173.9-43.100111.9F296 K297 R302 K303 L304 L378F296-Q300 PolarHBondContact O-N 3.47Å; F296-Q300 VanDerWaalsContact O-N 3.08Å; K297-Q300 PolarHBondContact O-N 3.11Å; Q300-R302 VanDerWaalsContact C-N 3.29Å; Q300-R302 PolarHBondContact O-N 2.79Å; Q300-K303 WeakPolarHBondContact O-CB 3.45Å; Q300-K303 PolarHBondContact O-N 3.47Å; Q300-K303 VanDerWaalsContact O-N 3.17Å; Q300-L304 WeakPolarHBondContact O-CG 3.34Å; Q300-L304 PolarHBondContact O-N 3.31Å; Q300-L304 VanDerWaalsContact O-N 3.07Å; Q300-L378 HydrophobicContact CB-CD2 3.96Å; Q300-L378 HydrophobicContact CB-CG 4.48Å; Q300-L378 HydrophobicContact CG-CD2 4.5Å
301I87.7Confident84.9Confident2 Ų273.3 Ų73.31%0.0133%0.325CS..Hα-helixtrans-59.9-41.8175.4-62.7166.7000110.5L252 L285 A288 Y289 E292 K297 K303 L304 I305L252-I301 HydrophobicContact CD1-CG1 4.37Å; L285-I301 HydrophobicContact CD2-CG2 4.41Å; L285-I301 WeakPolarHBondContact O-CG2 3.13Å; A288-I301 HydrophobicContact CB-CD1 4.26Å; Y289-I301 HydrophobicContact CD2-CB 4.49Å; Y289-I301 HydrophobicContact CD2-CG2 4.4Å; E292-I301 HydrophobicContact CB-CD1 3.99Å; E292-I301 HydrophobicContact CG-CD1 4.19Å; K297-I301 WeakPolarHBondContact O-CG1 3.42Å; K297-I301 PolarHBondContact O-N 3.08Å; I301-K303 VanDerWaalsContact C-N 3.32Å; I301-K303 PolarHBondContact O-N 3.21Å; I301-L304 WeakPolarHBondContact O-CB 3.45Å; I301-L304 PolarHBondContact O-N 2.92Å; I301-I305 HydrophobicContact CG2-CD1 3.97Å; I301-I305 HydrophobicContact CG2-CG1 4.29Å; I301-I305 VanDerWaalsContact O-CG1 3.29Å; I301-I305 WeakPolarHBondContact O-CG1 3.32Å; I301-I305 PolarHBondContact O-N 3.42Å
302R84.1Confident84.6Confident72 Ų7268.6 Ų68.627%0.27231%0.306SS..Hα-helixtrans-60.4-41177.1-171.4-172.4-57.3128.2-0.7112.2Y289 K298 S299 Q300 I305 K306 W445 F446Y289-R302 HydrophobicContact CD2-CB 4.45Å; Y289-R302 HydrophobicContact CE2-CB 4.17Å; Y289-R302 PolarHBondContact OH-NH2 3.32Å; K298-R302 VanDerWaalsContact O-CB 3.28Å; K298-R302 WeakPolarHBondContact O-CB 3.39Å; K298-R302 PolarHBondContact O-N 3Å; S299-R302 WeakPolarHBondContact O-CB 3.45Å; S299-R302 PolarHBondContact O-N 3.45Å; Q300-R302 VanDerWaalsContact C-N 3.29Å; Q300-R302 PolarHBondContact O-N 2.79Å; R302-I305 PolarHBondContact O-N 3.47Å; R302-K306 WeakPolarHBondContact O-CG 3.46Å; R302-K306 PolarHBondContact O-N 3.24Å; R302-K306 VanDerWaalsContact O-N 3.08Å; R302-W445 HydrophobicContact CG-CH2 4.32Å; R302-F446 HydrophobicContact CG-CE1 3.79Å
303K84.7Confident84.1Confident139 Ų13969.6 Ų69.660%0.60431%0.311SS*.Hα-helixtrans-60.5-48.6175.3-174.5178.2177.9179.50110.5S299 Q300 I301 I305 K306 D307S299-K303 PolarHBondContact O-N 2.99Å; Q300-K303 WeakPolarHBondContact O-CB 3.45Å; Q300-K303 PolarHBondContact O-N 3.47Å; Q300-K303 VanDerWaalsContact O-N 3.17Å; I301-K303 VanDerWaalsContact C-N 3.32Å; I301-K303 PolarHBondContact O-N 3.21Å; K303-I305 VanDerWaalsContact C-N 3.34Å; K303-I305 PolarHBondContact O-N 2.96Å; K303-K306 WeakPolarHBondContact O-CB 3.28Å; K303-K306 PolarHBondContact O-N 3.48Å; K303-D307 VanDerWaalsContact O-CG 3.31Å; K303-D307 PolarHBondContact O-N 3.42Å
304L90.2Very high84Confident30 Ų3062.8 Ų62.816%0.15730%0.296CS..Hα-helixtrans-57.5-44.5176.5-66.9164.5000112.7L285 Q300 I301 K306 D307 H308 F375 L378L285-L304 HydrophobicContact CD1-CB 3.99Å; L285-L304 HydrophobicContact CD2-CB 4.39Å; Q300-L304 WeakPolarHBondContact O-CG 3.34Å; Q300-L304 PolarHBondContact O-N 3.31Å; Q300-L304 VanDerWaalsContact O-N 3.07Å; I301-L304 WeakPolarHBondContact O-CB 3.45Å; I301-L304 PolarHBondContact O-N 2.92Å; L304-K306 VanDerWaalsContact C-N 3.28Å; L304-K306 PolarHBondContact O-N 2.91Å; L304-D307 PolarHBondContact O-N 3.12Å; L304-H308 WeakPolarHBondContact O-CB 3.37Å; L304-H308 PolarHBondContact O-CD2 3.42Å; L304-H308 PolarHBondContact O-N 3.46Å; L304-F375 HydrophobicContact CD1-CD1 3.61Å; L304-F375 HydrophobicContact CD1-CE1 3.16Å; L304-F375 HydrophobicContact CD1-CZ 4.04Å; L304-F375 HydrophobicContact CD2-CD1 4.4Å; L304-F375 HydrophobicContact CD2-CE1 3.71Å; L304-F375 HydrophobicContact CG-CE1 3.99Å; L304-L378 HydrophobicContact CD1-CD1 4.36Å
305I84.6Confident84Confident0 Ų060 Ų600%028%0.281CS..Hα-helixtrans-60.1-41.3176.4-61165.8000110L282 L285 I301 R302 K303 L309 I442 W445 F446L282-I305 HydrophobicContact CD2-CG2 3.92Å; L282-I305 WeakPolarHBondContact CD2-O 3.47Å; L285-I305 HydrophobicContact CB-CD1 4.17Å; L285-I305 HydrophobicContact CB-CG1 3.49Å; L285-I305 VanDerWaalsContact CB-CG1 3.49Å; L285-I305 HydrophobicContact CD1-CG1 3.95Å; L285-I305 HydrophobicContact CG-CG1 4.33Å; I301-I305 HydrophobicContact CG2-CD1 3.97Å; I301-I305 HydrophobicContact CG2-CG1 4.29Å; I301-I305 VanDerWaalsContact O-CG1 3.29Å; I301-I305 WeakPolarHBondContact O-CG1 3.32Å; I301-I305 PolarHBondContact O-N 3.42Å; R302-I305 PolarHBondContact O-N 3.47Å; K303-I305 VanDerWaalsContact C-N 3.34Å; K303-I305 PolarHBondContact O-N 2.96Å; I305-L309 WeakPolarHBondContact O-CB 3.38Å; I305-L309 PolarHBondContact O-N 3.2Å; I305-I442 HydrophobicContact CG2-CG2 3.87Å; I305-W445 HydrophobicContact CD1-CH2 3.76Å; I305-W445 HydrophobicContact CD1-CZ3 3.87Å; I305-W445 HydrophobicContact CG2-CZ3 4.36Å; I305-F446 HydrophobicContact CB-CE2 4.16Å; I305-F446 HydrophobicContact CB-CZ 3.62Å; I305-F446 HydrophobicContact CG2-CD2 4.46Å; I305-F446 HydrophobicContact CG2-CE1 4.46Å; I305-F446 HydrophobicContact CG2-CE2 3.3Å; I305-F446 HydrophobicContact CG2-CZ 3.29Å
306K80.3Confident84Confident101 Ų10152 Ų5244%0.43925%0.253SS..Hα-helixtrans-63.7-49.4179.5-74-174.3175.8-170.70111.3R302 K303 L304 H308 L309 L310 F446R302-K306 WeakPolarHBondContact O-CG 3.46Å; R302-K306 PolarHBondContact O-N 3.24Å; R302-K306 VanDerWaalsContact O-N 3.08Å; K303-K306 WeakPolarHBondContact O-CB 3.28Å; K303-K306 PolarHBondContact O-N 3.48Å; L304-K306 VanDerWaalsContact C-N 3.28Å; L304-K306 PolarHBondContact O-N 2.91Å; K306-H308 PolarHBondContact O-N 2.97Å; K306-L309 PolarHBondContact O-N 3.35Å; K306-L310 WeakPolarHBondContact O-CG 3.27Å; K306-L310 PolarHBondContact O-N 3.1Å; K306-F446 HydrophobicContact CB-CZ 4.24Å; K306-F446 HydrophobicContact CD-CE1 4.35Å; K306-F446 HydrophobicContact CG-CD1 4.38Å; K306-F446 HydrophobicContact CG-CE1 3.43Å; K306-F446 VanDerWaalsContact CG-CE1 3.43Å; K306-F446 HydrophobicContact CG-CE2 4.4Å; K306-F446 HydrophobicContact CG-CZ 3.45Å; K306-F446 VanDerWaalsContact CG-CZ 3.45Å
307D85.3Confident83.7Confident80 Ų8051.5 Ų51.543%0.42825%0.254SS..Hα-helixtrans-61.2-46.5-176.7-61.6-15.5000110.4K303 L304 L310 K311K303-D307 VanDerWaalsContact O-CG 3.31Å; K303-D307 PolarHBondContact O-N 3.42Å; L304-D307 PolarHBondContact O-N 3.12Å; D307-L310 PolarHBondContact O-N 3.01Å; D307-K311 PolarHBondContact O-N 3.4Å; D307-K311 VanDerWaalsContact O-N 3.17Å
308H89.4Confident83.5Confident27 Ų2754.9 Ų54.913%0.12527%0.27CS..Hα-helixtrans-72.7-29.8178.1-70.8-62.8000113.4L259 Y278 L282 L304 K306 K311 T312L259-H308 HydrophobicContact CD2-CB 4.21Å; Y278-H308 AromaticContact CE1-ND1 3.76Å; L282-H308 HydrophobicContact CD2-CB 3.76Å; L282-H308 HydrophobicContact CG-CB 4.21Å; L304-H308 WeakPolarHBondContact O-CB 3.37Å; L304-H308 PolarHBondContact O-CD2 3.42Å; L304-H308 PolarHBondContact O-N 3.46Å; K306-H308 PolarHBondContact O-N 2.97Å; H308-K311 PolarHBondContact O-N 3.35Å; H308-T312 WeakPolarHBondContact O-CB 3.43Å; H308-T312 PolarHBondContact O-N 3Å; H308-T312 PolarHBondContact O-OG1 2.81Å
309L81.3Confident83.3Confident17 Ų1753.3 Ų53.39%0.08926%0.263CS..Hα-helixtrans-62.9-48.1174.117965.8000110.6L282 I305 K306 K311 T312 E313 L439 I442 K443 F446L282-L309 HydrophobicContact CD1-CD1 4.41Å; L282-L309 HydrophobicContact CD2-CB 4.36Å; I305-L309 WeakPolarHBondContact O-CB 3.38Å; I305-L309 PolarHBondContact O-N 3.2Å; K306-L309 PolarHBondContact O-N 3.35Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 3.08Å; L309-T312 PolarHBondContact O-N 3.02Å; L309-E313 WeakPolarHBondContact O-CG 3.5Å; L309-E313 PolarHBondContact O-N 3.44Å; L309-L439 HydrophobicContact CD1-CD2 3.36Å; L309-I442 HydrophobicContact CD1-CG2 4.04Å; L309-I442 HydrophobicContact CD2-CG2 4.11Å; L309-K443 HydrophobicContact CD2-CG 4.33Å; L309-F446 HydrophobicContact CD2-CD2 3.91Å; L309-F446 HydrophobicContact CD2-CE2 3.76Å
310L79.9Confident83.1Confident88 Ų8852.1 Ų52.146%0.46126%0.255SS..Hα-helixtrans-60.1-43.2177.4-69.8172.1000111.6K306 D307 T312 E313 S314K306-L310 WeakPolarHBondContact O-CG 3.27Å; K306-L310 PolarHBondContact O-N 3.1Å; D307-L310 PolarHBondContact O-N 3.01Å; L310-T312 PolarHBondContact O-N 3.05Å; L310-E313 PolarHBondContact O-N 3.33Å; L310-S314 PolarHBondContact O-N 3.49Å
311K85.3Confident82.5Confident74 Ų7452.3 Ų52.332%0.32226%0.257SS..Hα-helixtrans-61.6-43.7175.7-179.158.9-179.9171.10112.2E266 Y278 D307 H308 L309 S314 L315E266-K311 VanDerWaalsContact CD-CE 3.44Å; E266-K311 WeakPolarHBondContact OE1-CE 3.34Å; E266-K311 IonicContact OE1-NZ 2.75Å; E266-K311 PolarHBondContact OE1-NZ 3.29Å; E266-K311 WeakPolarHBondContact OE2-CE 3.34Å; E266-K311 IonicContact OE2-NZ 3.77Å; E266-K311 PolarHBondContact OE2-NZ 2.93Å; Y278-K311 HydrophobicContact CE1-CG 3.95Å; Y278-K311 HydrophobicContact CE2-CG 3.9Å; Y278-K311 WeakPolarHBondContact OH-CE 3.37Å; D307-K311 PolarHBondContact O-N 3.4Å; D307-K311 VanDerWaalsContact O-N 3.17Å; H308-K311 PolarHBondContact O-N 3.35Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 3.08Å; K311-S314 WeakPolarHBondContact O-CB 3.44Å; K311-S314 PolarHBondContact O-N 3.28Å; K311-L315 PolarHBondContact O-N 3.39Å
312T83.6Confident81.9Confident0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-64.1-40.8178.1-52.20000111.6Y275 Y278 L282 H308 L309 L310 L315 K316 L439Y275-T312 HydrophobicContact CD2-CG2 3.95Å; Y275-T312 HydrophobicContact CE2-CG2 3.69Å; Y278-T312 WeakPolarHBondContact CB-OG1 3.46Å; L282-T312 HydrophobicContact CD1-CG2 4.23Å; L282-T312 VanDerWaalsContact CD1-OG1 3.23Å; L282-T312 WeakPolarHBondContact CD1-OG1 3.11Å; H308-T312 WeakPolarHBondContact O-CB 3.43Å; H308-T312 PolarHBondContact O-N 3Å; H308-T312 PolarHBondContact O-OG1 2.81Å; L309-T312 PolarHBondContact O-N 3.02Å; L310-T312 PolarHBondContact O-N 3.05Å; T312-L315 PolarHBondContact O-N 2.69Å; T312-K316 WeakPolarHBondContact O-CB 3.44Å; T312-K316 PolarHBondContact O-N 3.27Å; T312-L439 HydrophobicContact CG2-CD1 4.43Å; T312-L439 HydrophobicContact CG2-CD2 4.02Å
313E77.3Confident81.2Confident51 Ų5152 Ų5224%0.23826%0.262CS..Hα-helixtrans-64.6-42.4175.3-72.8-171.9135.900112.3L309 L310 K316 L317 K443L309-E313 WeakPolarHBondContact O-CG 3.5Å; L309-E313 PolarHBondContact O-N 3.44Å; L310-E313 PolarHBondContact O-N 3.33Å; E313-K316 WeakPolarHBondContact O-CB 3.5Å; E313-K316 PolarHBondContact O-N 3.28Å; E313-L317 WeakPolarHBondContact O-CG 3.27Å; E313-L317 PolarHBondContact O-N 3.45Å; E313-L317 VanDerWaalsContact O-N 3.07Å; E313-K443 WeakPolarHBondContact OE1-CE 3.49Å; E313-K443 IonicContact OE1-NZ 3.06Å; E313-K443 PolarHBondContact OE1-NZ 2.85Å
314S82.2Confident80.1Confident69 Ų6951.5 Ų51.548%0.48326%0.261SS..Hα-helixtrans-59.6-48.6175.6-172.90000111.4L310 K311 K316 L317 E318L310-S314 PolarHBondContact O-N 3.49Å; K311-S314 WeakPolarHBondContact O-CB 3.44Å; K311-S314 PolarHBondContact O-N 3.28Å; S314-K316 VanDerWaalsContact C-N 3.3Å; S314-K316 PolarHBondContact O-N 3.23Å; S314-L317 PolarHBondContact O-N 3.07Å; S314-E318 PolarHBondContact O-N 3.14Å; S314-E318 VanDerWaalsContact O-N 3.08Å
315L84.1Confident78.5Confident0 Ų053.3 Ų53.30%027%0.274CS..Hα-helixtrans-65.3-35.1179-176.760.7000112E266 L271 A274 Y278 K311 T312 L317 E318 L319E266-L315 HydrophobicContact CG-CD2 4.47Å; L271-L315 HydrophobicContact CB-CD1 4.16Å; L271-L315 HydrophobicContact CD2-CD1 3.96Å; L271-L315 HydrophobicContact CG-CD1 4.48Å; A274-L315 HydrophobicContact CB-CD2 3.96Å; Y278-L315 HydrophobicContact CD2-CD2 3.88Å; Y278-L315 HydrophobicContact CE2-CD2 4.18Å; K311-L315 PolarHBondContact O-N 3.39Å; T312-L315 PolarHBondContact O-N 2.69Å; L315-L317 VanDerWaalsContact C-N 3.34Å; L315-L317 PolarHBondContact O-N 2.79Å; L315-E318 PolarHBondContact O-N 3.23Å; L315-L319 HydrophobicContact CG-CD1 4.49Å; L315-L319 WeakPolarHBondContact O-CG 3.49Å; L315-L319 PolarHBondContact O-N 3.41Å
316K79.6Confident76.9Confident60 Ų6055.7 Ų55.726%0.26129%0.286SS..Hα-helixtrans-60.1-44.3173.2-169.3179.6177.2177.20111.9Y275 T312 E313 S314 E318 L319 C320 L431 L439Y275-K316 HydrophobicContact CD2-CB 4.32Å; Y275-K316 HydrophobicContact CE2-CB 3.72Å; Y275-K316 HydrophobicContact CE2-CD 4.34Å; Y275-K316 HydrophobicContact CE2-CG 4.02Å; T312-K316 WeakPolarHBondContact O-CB 3.44Å; T312-K316 PolarHBondContact O-N 3.27Å; E313-K316 WeakPolarHBondContact O-CB 3.5Å; E313-K316 PolarHBondContact O-N 3.28Å; S314-K316 VanDerWaalsContact C-N 3.3Å; S314-K316 PolarHBondContact O-N 3.23Å; K316-E318 VanDerWaalsContact C-N 3.35Å; K316-L319 PolarHBondContact O-N 3.21Å; K316-C320 PolarHBondContact O-N 3.17Å; K316-C320 PolarHBondContact O-SG 3.22Å; K316-L431 HydrophobicContact CG-CD2 3.96Å; K316-L439 HydrophobicContact CD-CD1 4.08Å
317L78.1Confident75.2Confident91 Ų9157.4 Ų57.448%0.47630%0.298SS..Hα-helixtrans-64.2-41.5178-70.2170.7000111.2E313 S314 L315 C320 L321E313-L317 WeakPolarHBondContact O-CG 3.27Å; E313-L317 PolarHBondContact O-N 3.45Å; E313-L317 VanDerWaalsContact O-N 3.07Å; S314-L317 PolarHBondContact O-N 3.07Å; L315-L317 VanDerWaalsContact C-N 3.34Å; L315-L317 PolarHBondContact O-N 2.79Å; L317-C320 WeakPolarHBondContact O-CB 3.17Å; L317-C320 PolarHBondContact O-N 3.26Å; L317-L321 WeakPolarHBondContact O-CG 3.44Å; L317-L321 PolarHBondContact O-N 3.39Å
318E83.2Confident73.4Confident86 Ų8658.8 Ų58.840%0.40231%0.309SS..Hα-helixtrans-59.7-47.1174.8-174.3174.6-178.100112L271 S314 L315 K316 C320 L321 L322L271-E318 HydrophobicContact CD1-CG 4.39Å; S314-E318 PolarHBondContact O-N 3.14Å; S314-E318 VanDerWaalsContact O-N 3.08Å; L315-E318 PolarHBondContact O-N 3.23Å; K316-E318 VanDerWaalsContact C-N 3.35Å; E318-C320 VanDerWaalsContact C-N 3.33Å; E318-C320 PolarHBondContact O-N 3.49Å; E318-L321 PolarHBondContact O-N 2.84Å; E318-L321 VanDerWaalsContact O-N 3.12Å; E318-L322 HydrophobicContact CG-CD1 4.48Å; E318-L322 WeakPolarHBondContact O-CG 3.44Å; E318-L322 PolarHBondContact O-N 2.95Å
319L79.8Confident71.3Confident1 Ų162.1 Ų62.11%0.00534%0.335CS..Hα-helixtrans-59.8-40.6174.5-75.1171.7000112.7L271 Y275 L315 K316 L321 L322 S323 I427L271-L319 HydrophobicContact CB-CD2 3.67Å; L271-L319 HydrophobicContact CB-CG 4.39Å; Y275-L319 HydrophobicContact CD1-CD1 4.41Å; Y275-L319 HydrophobicContact CD2-CD1 4.3Å; Y275-L319 HydrophobicContact CG-CD1 3.88Å; L315-L319 HydrophobicContact CG-CD1 4.49Å; L315-L319 WeakPolarHBondContact O-CG 3.49Å; L315-L319 PolarHBondContact O-N 3.41Å; K316-L319 PolarHBondContact O-N 3.21Å; L319-L321 VanDerWaalsContact C-N 3.33Å; L319-L321 PolarHBondContact O-N 2.97Å; L319-L322 PolarHBondContact O-N 3.05Å; L319-S323 PolarHBondContact O-N 3.28Å; L319-S323 VanDerWaalsContact O-N 3.11Å; L319-I427 HydrophobicContact CB-CG2 4.18Å; L319-I427 HydrophobicContact CD2-CG1 4.32Å; L319-I427 HydrophobicContact CD2-CG2 4.34Å; L319-I427 WeakPolarHBondContact O-CG2 2.68Å
320C75Confident69.3Low39 Ų3966 Ų6626%0.26436%0.364SS..Hα-helixtrans-63.3-37.7174.5-71.20000112.2K316 L317 E318 S323 H324K316-C320 PolarHBondContact O-N 3.17Å; K316-C320 PolarHBondContact O-SG 3.22Å; L317-C320 WeakPolarHBondContact O-CB 3.17Å; L317-C320 PolarHBondContact O-N 3.26Å; E318-C320 VanDerWaalsContact C-N 3.33Å; E318-C320 PolarHBondContact O-N 3.49Å; C320-S323 PolarHBondContact O-OG 3.35Å; C320-H324 PolarHBondContact O-CD2 2.92Å; C320-H324 PolarHBondContact O-N 2.98Å
321L76.9Confident67.3Low71 Ų7166.6 Ų66.637%0.37238%0.375SS..Hα-helixtrans-67.3-41.5178.1-69.7166.8000111.1L317 E318 L319 S323 H324 T325 M540L317-L321 WeakPolarHBondContact O-CG 3.44Å; L317-L321 PolarHBondContact O-N 3.39Å; E318-L321 PolarHBondContact O-N 2.84Å; E318-L321 VanDerWaalsContact O-N 3.12Å; L319-L321 VanDerWaalsContact C-N 3.33Å; L319-L321 PolarHBondContact O-N 2.97Å; L321-S323 PolarHBondContact O-N 3.43Å; L321-H324 PolarHBondContact O-N 3.49Å; L321-T325 PolarHBondContact O-N 3.21Å; L321-T325 VanDerWaalsContact O-N 3.14Å; L321-T325 PolarHBondContact O-OG1 3.43Å; L321-M540 HydrophobicContact CD1-CE 4.4Å; L321-M540 HydrophobicContact CD1-SD 3.87Å; L321-M540 HydrophobicContact CD2-CE 4.37Å; L321-M540 HydrophobicContact CD2-SD 4.36Å
322L75.5Confident64.8Low57 Ų5768.6 Ų68.630%0.29840%0.399SS..Hα-helixtrans-64.1-37.8177.9-67.7171.1000112.8L271 E318 L319 H324 T325 I427L271-L322 HydrophobicContact CD1-CD1 3.52Å; E318-L322 HydrophobicContact CG-CD1 4.48Å; E318-L322 WeakPolarHBondContact O-CG 3.44Å; E318-L322 PolarHBondContact O-N 2.95Å; L319-L322 PolarHBondContact O-N 3.05Å; L322-H324 VanDerWaalsContact C-N 3.25Å; L322-H324 PolarHBondContact O-N 3.47Å; L322-T325 PolarHBondContact O-N 3.04Å; L322-T325 PolarHBondContact O-OG1 3.39Å; L322-I427 HydrophobicContact CB-CD1 4.15Å
323S68Low62.5Low10 Ų1074.3 Ų74.37%0.0744%0.436CS..Hα-helixtrans-68.6-24.5176.767.40000113.3L319 C320 L321L319-S323 PolarHBondContact O-N 3.28Å; L319-S323 VanDerWaalsContact O-N 3.11Å; C320-S323 PolarHBondContact O-OG 3.35Å; L321-S323 PolarHBondContact O-N 3.43Å
324H61.8Low60.6Low129 Ų12981 Ų8160%0.59747%0.467SS*.Hα-helixtrans-86-28.7177.6-70.4-50.9000113.5C320 L321 L322C320-H324 PolarHBondContact O-CD2 2.92Å; C320-H324 PolarHBondContact O-N 2.98Å; L321-H324 PolarHBondContact O-N 3.49Å; L322-H324 VanDerWaalsContact C-N 3.25Å; L322-H324 PolarHBondContact O-N 3.47Å
325T57.4Low58.5Low69 Ų6983.6 Ų83.642%0.42349%0.485SS..Hα-helixtrans-73.3-29.9-178.945.40000114.1L321 L322 M327 T328L321-T325 PolarHBondContact O-N 3.21Å; L321-T325 VanDerWaalsContact O-N 3.14Å; L321-T325 PolarHBondContact O-OG1 3.43Å; L322-T325 PolarHBondContact O-N 3.04Å; L322-T325 PolarHBondContact O-OG1 3.39Å; T325-M327 VanDerWaalsContact C-N 3.28Å; T325-M327 PolarHBondContact O-N 3.24Å; T325-T328 PolarHBondContact O-N 2.79Å; T325-T328 PolarHBondContact O-OG1 2.72Å
326D51Low56.1Low49 Ų4992.4 Ų92.426%0.26253%0.526SS..THydrogen-bonded Turntrans-75.1-18.1178.8-74-19.7000113.1T421 I424D326-T421 WeakPolarHBondContact OD2-CG2 3.43Å; D326-I424 HydrophobicContact CB-CD1 3.39Å; D326-I424 HydrophobicContact CB-CG1 3.76Å
327M44.6Very low53.8Low138 Ų13895.5 Ų95.568%0.6855%0.553SS**THydrogen-bonded Turntrans-84.5-15.9177.3-65.1-68.4-97.500112.9T325 I424T325-M327 VanDerWaalsContact C-N 3.28Å; T325-M327 PolarHBondContact O-N 3.24Å; M327-I424 HydrophobicContact CG-CD1 4.33Å; M327-I424 HydrophobicContact SD-CD1 4.12Å
328T47Very low51.7Low109 Ų109101 Ų10167%0.66957%0.573SS**THydrogen-bonded Turntrans-102.6-8.5-176.354.20000113.9T325T325-T328 PolarHBondContact O-N 2.79Å; T325-T328 PolarHBondContact O-OG1 2.72Å
329S45.7Very low49.1Very low96 Ų96104.5 Ų104.567%0.67159%0.592SS**SBendtrans-90.94.5179.658.90000114.7
330S39.5Very low46.7Very low98 Ų98112.6 Ų112.669%0.68564%0.635SS**  trans-121.862.5178.2620000113.5
331S36.9Very low44.6Very low101 Ų101117.3 Ų117.371%0.70666%0.657SS**  trans-150.7100.1161.963.30000112.5
332S33.5Very low42.2Very low116 Ų116119 Ų11981%0.81168%0.675SS**  trans-59.6136.8153.145.70000109.8
333P35.7Very low40Very low120 Ų120124.8 Ų124.878%0.77970%0.701SS**  trans-84.3121.4-17431.6-29.8000110.3
334Q38Very low37.9Very low192 Ų192129.4 Ų129.490%0.89774%0.74SS**  trans-175.8133.9140.9-102.4169.725.900112
335S36.8Very low36.3Very low123 Ų123128.5 Ų128.586%0.8674%0.743SS**  trans103.993165.374.10000118.5
336E33.6Very low34.7Very low185 Ų185133 Ų13386%0.86476%0.764SS**  trans41.8134.1143-65.8-177.2165.300123.5
337P31.3Very low33.4Very low125 Ų125138.1 Ų138.181%0.81279%0.791SS**PPolyproline II helixtrans-83.9122.1-177.134.2-30.8000112
338K35Very low32.5Very low208 Ų208136.8 Ų136.890%0.90479%0.792SS**PPolyproline II helixtrans-95.3117.2161.4-83-178.8178.6174.80110.1L340K338-L340 PolarHBondContact O-N 3.43Å
339I28.3Very low31.4Very low158 Ų158136.9 Ų136.981%0.8179%0.789SS**PPolyproline II helixtrans-58.5125.3167.9-62.8166.3000109
340L28.9Very low30.5Very low172 Ų172137.6 Ų137.690%0.90179%0.791SS**  trans-138.7129.7157.6-15182.3000110.9K338K338-L340 PolarHBondContact O-N 3.43Å
341N31.7Very low29.8Very low137 Ų137140.1 Ų140.173%0.73380%0.796SS**  trans-55.6153.9-175.6-81.9-32.2000115.8Q343N341-Q343 PolarHBondContact O-N 3.29Å
342S26Very low29.3Very low107 Ų107141.4 Ų141.475%0.74880%0.799SS**  trans-22.8122.2153.1570000115.4
343Q29.3Very low28.9Very low178 Ų178140.4 Ų140.483%0.83279%0.789SS**  trans-155.8115.6141.7-106170.419.500108.3N341 V345N341-Q343 PolarHBondContact O-N 3.29Å; Q343-V345 PolarHBondContact O-N 2.86Å
344A25Very low28.4Very low107 Ų107143.6 Ų143.688%0.88480%0.796SS**  trans-58.4117.8165.100000108.4
345V26.4Very low27.7Very low110 Ų110143.5 Ų143.567%0.66779%0.793SS**  trans-108.7106.7174.3179.60000107.9Q343 L347Q343-V345 PolarHBondContact O-N 2.86Å; V345-L347 HydrophobicContact CG1-CG 4.32Å
346N23.8Very low27.3Very low164 Ų164143.5 Ų143.588%0.87779%0.792SS**  trans-53.9129.7157.2-81.3-57.4000109.2
347L24.3Very low27Very low157 Ų157145.2 Ų145.282%0.82279%0.792SS**  trans-122.4142.1163.6-85.1151000109.7V345V345-L347 HydrophobicContact CG1-CG 4.32Å
348P25.5Very low26.7Very low109 Ų109146.5 Ų146.571%0.70879%0.792SS**  trans-101.9168.9-153.813.69.5000113.2P350P348-P350 WeakPolarHBondContact O-CD 3.49Å
349D24Very low26.4Very low111 Ų111143.7 Ų143.759%0.59479%0.792SS**  trans-65.5144.3171.6-56.2-55.6000112.5K212K212-D349 VanDerWaalsContact CD-OD2 3.26Å; K212-D349 WeakPolarHBondContact CD-OD2 3.37Å; K212-D349 WeakPolarHBondContact CE-OD2 3.32Å; K212-D349 IonicContact NZ-OD1 3.72Å; K212-D349 PolarHBondContact NZ-OD1 3.26Å; K212-D349 IonicContact NZ-OD2 2.71Å; K212-D349 PolarHBondContact NZ-OD2 3.23Å
350P26.7Very low26.5Very low111 Ų111140.6 Ų140.672%0.72178%0.784SS**  trans-132.4125.1137.118.22.9000111.6P348P348-P350 WeakPolarHBondContact O-CD 3.49Å
351I26Very low26.4Very low152 Ų152141 Ų14178%0.77978%0.781SS**  81.5109.282.3-67.4168.8000114.8
352V25.7Very low26.3Very low128 Ų128143.1 Ų143.178%0.77679%0.787SS**  trans78.3138.6141.4178.50000120.4
353P24.9Very low26.4Very low94 Ų94143.4 Ų143.461%0.6179%0.786SS**PPolyproline II helixtrans-86.8138.9-173.226.7-13.9000112.9
354M24.5Very low26.3Very low187 Ų187144.3 Ų144.392%0.92179%0.788SS**PPolyproline II helixtrans-89.4121.3166.4-96.7-170.7-179.700110.8
355K24.4Very low26.7Very low190 Ų190147 Ų14783%0.82679%0.787SS**PPolyproline II helixtrans-63.6128.3158.9-75.7176.7173.9176.80109.1
356C28.3Very low26.8Very low124 Ų124149.2 Ų149.284%0.83880%0.795SS**  trans-109145.8158.6-77.10000110.5
357Y27.1Very low27.3Very low221 Ų221148 Ų14887%0.86779%0.793SS**  trans-83.1162.8-152.6-79.7-106.3000115.5
358N24.4Very low27.6Very low152 Ų152148.5 Ų148.581%0.81380%0.797SS**  trans-18.5128.2160.2-85-30.6000115.9
359V29.3Very low27.9Very low148 Ų148147.8 Ų147.890%0.89780%0.795SS**  trans-111100.7143.5-177.60000107.6
360S29.6Very low28.1Very low93 Ų93148.1 Ų148.165%0.6581%0.806SS**  trans-63.7137.4170.840.50000112.2
361Q27.1Very low28.4Very low181 Ų181151.3 Ų151.385%0.84681%0.808SS**  trans21.7121.3143.5-57.8-179.75.100118.5
362Q29.2Very low28.8Very low181 Ų181153.5 Ų153.585%0.84681%0.812SS**  171.2165118.5-93.2-167.69.500110.9
363P28.5Very low29.4Very low114 Ų114148.6 Ų148.674%0.7479%0.788SS**  -106.8167-94.816.38.3000113N365P363-N365 PolarHBondContact O-N 3.48Å
364K28.1Very low30.5Very low197 Ų197148.2 Ų148.286%0.85778%0.78SS**  trans-53.6126172.5-63.4176.3177.3-179.80111.2
365N33.4Very low32Very low163 Ų163140.6 Ų140.687%0.87274%0.742SS**  trans-133.1125.2148.4-90.7-20.8000108.8P363P363-N365 PolarHBondContact O-N 3.48Å
366N29Very low33Very low156 Ų156138.1 Ų138.183%0.83473%0.733SS**  trans-68.1130.7176.7-71.7-24.6000110.1
367T34.3Very low33.6Very low138 Ų138140.6 Ų140.685%0.84773%0.732SS**  trans-146.5120.1138.744.30000108.2
368D29.8Very low34.2Very low168 Ų168131.2 Ų131.290%0.89870%0.696SS**  trans-84.6122.7179.8-156.9-1.1000108.5
369S31.2Very low34.7Very low94 Ų94127.4 Ų127.466%0.65768%0.68SS**  trans-162.8109.5160.150.10000111.3K371S369-K371 PolarHBondContact O-N 3.21Å
370S28.7Very low35.1Very low118 Ų118129.3 Ų129.383%0.82568%0.676SS**  trans48.556.3149.5600000119.7K372S370-K372 PolarHBondContact O-N 3.07Å
371K33Very low35.5Very low179 Ų179131 Ų13178%0.77867%0.674SS**  trans-85.495.2161.5-75.6-170177.4-1730111.9S369 G373S369-K371 PolarHBondContact O-N 3.21Å; K371-G373 PolarHBondContact O-N 3.36Å
372K34.1Very low35.7Very low198 Ų198131.2 Ų131.286%0.86167%0.672SS**  trans-70.284.2155.4-78-177.9178.21770107.8S370S370-K372 PolarHBondContact O-N 3.07Å
373G38.1Very low35.9Very low25 Ų25128.5 Ų128.526%0.25866%0.663SS.*  trans-63.9155.8177.800000112.6E260 K371 F375 H376E260-G373 WeakPolarHBondContact OE1-CA 3.43Å; K371-G373 PolarHBondContact O-N 3.36Å; G373-F375 PolarHBondContact O-N 3Å; G373-H376 PolarHBondContact O-N 3.4Å; G373-H376 VanDerWaalsContact O-N 3.15Å
374L49.6Very low35.9Very low86 Ų86129.5 Ų129.545%0.4566%0.663SS.*THydrogen-bonded Turntrans-54.6-19.3-169.7-158.370.1000114.7L259 E260L259-L374 HydrophobicContact CB-CD2 4.23Å; E260-L374 HydrophobicContact CG-CB 4.29Å; E260-L374 PolarHBondContact OE1-N 3.41Å; E260-L374 VanDerWaalsContact OE1-N 3.13Å
375F55.3Low35.9Very low26 Ų26128.9 Ų128.911%0.11466%0.656CS.*THydrogen-bonded Turntrans-11519-174.2-57.3-45.4000115.3L252 A256 L285 L304 G373 H377 L378L252-F375 HydrophobicContact CD1-CD2 4.12Å; L252-F375 HydrophobicContact CD1-CE2 3.96Å; L252-F375 HydrophobicContact CD1-CG 4.5Å; L252-F375 HydrophobicContact CD1-CZ 4.27Å; L252-F375 HydrophobicContact CG-CD2 4.09Å; L252-F375 HydrophobicContact CG-CE2 4.3Å; A256-F375 HydrophobicContact CB-CD2 3.63Å; A256-F375 HydrophobicContact CB-CE2 3.36Å; A256-F375 HydrophobicContact CB-CZ 4.5Å; L285-F375 HydrophobicContact CD2-CZ 4.29Å; L304-F375 HydrophobicContact CD1-CD1 3.61Å; L304-F375 HydrophobicContact CD1-CE1 3.16Å; L304-F375 HydrophobicContact CD1-CZ 4.04Å; L304-F375 HydrophobicContact CD2-CD1 4.4Å; L304-F375 HydrophobicContact CD2-CE1 3.71Å; L304-F375 HydrophobicContact CG-CE1 3.99Å; G373-F375 PolarHBondContact O-N 3Å; F375-H377 PolarHBondContact O-N 3.33Å; F375-L378 HydrophobicContact CB-CD1 3.92Å; F375-L378 HydrophobicContact CD1-CD1 3.96Å; F375-L378 HydrophobicContact CG-CD1 4.14Å; F375-L378 WeakPolarHBondContact O-CB 3.47Å; F375-L378 PolarHBondContact O-N 2.96Å
376H45.9Very low35.8Very low139 Ų139129.3 Ų129.364%0.64465%0.653SS**THydrogen-bonded Turntrans-61.3-12.3-178.1-123.3-66.6000115.1G373G373-H376 PolarHBondContact O-N 3.4Å; G373-H376 VanDerWaalsContact O-N 3.15Å
377H40.3Very low35.9Very low175 Ų175127.2 Ų127.281%0.8165%0.651SS**THydrogen-bonded Turntrans-89.7-0.3174.6-60.6-61000114.5F375F375-H377 PolarHBondContact O-N 3.33Å
378L40.1Very low35.5Very low24 Ų24126 Ų12613%0.12665%0.648CS.*SBendtrans-96.1121.9174-83.7145.9000109.8L252 K297 Q300 L304 F375 K380L252-L378 HydrophobicContact CD2-CD1 4.16Å; K297-L378 HydrophobicContact CB-CD2 4.25Å; K297-L378 HydrophobicContact CG-CD2 4.16Å; Q300-L378 HydrophobicContact CB-CD2 3.96Å; Q300-L378 HydrophobicContact CB-CG 4.48Å; Q300-L378 HydrophobicContact CG-CD2 4.5Å; L304-L378 HydrophobicContact CD1-CD1 4.36Å; F375-L378 HydrophobicContact CB-CD1 3.92Å; F375-L378 HydrophobicContact CD1-CD1 3.96Å; F375-L378 HydrophobicContact CG-CD1 4.14Å; F375-L378 WeakPolarHBondContact O-CB 3.47Å; F375-L378 PolarHBondContact O-N 2.96Å; L378-K380 PolarHBondContact O-N 3.33Å; L378-K380 VanDerWaalsContact O-N 3.09Å
379P34.7Very low35.5Very low72 Ų72125.7 Ų125.747%0.46865%0.645SS.*  trans-61.9114.2176.9-17.428.4000110.8F296 K297 E381F296-P379 HydrophobicContact CE2-CG 3.91Å; F296-P379 HydrophobicContact CZ-CG 4.24Å; K297-P379 WeakPolarHBondContact CE-O 3.43Å; K297-P379 PolarHBondContact NZ-O 3.1Å; P379-E381 PolarHBondContact O-N 3.42Å
380K37.1Very low35.5Very low189 Ų189130.3 Ų130.382%0.82265%0.653SS**  trans-71.7110.6168.4-67.6-172.6177.1-171.60108.4L378L378-K380 PolarHBondContact O-N 3.33Å; L378-K380 VanDerWaalsContact O-N 3.09Å
381E37.4Very low35.7Very low129 Ų129130.3 Ų130.360%0.60365%0.653SS**  trans-79.9129.9164.8-88.4169.9137.800108L294 K297 P379 D383L294-E381 VanDerWaalsContact CD1-OE2 3.28Å; L294-E381 WeakPolarHBondContact CD1-OE2 3.13Å; K297-E381 IonicContact NZ-OE2 2.76Å; K297-E381 PolarHBondContact NZ-OE2 3.5Å; P379-E381 PolarHBondContact O-N 3.42Å; E381-D383 PolarHBondContact O-N 3.26Å
382K31.1Very low35.5Very low184 Ų184131.5 Ų131.580%0.866%0.658SS**  trans-69.2117.6164.2-73-178.6175.7-179.70107.3D384K382-D384 PolarHBondContact O-N 3.04Å
383D34.6Very low35.4Very low125 Ų125127.2 Ų127.267%0.66865%0.654SS**  trans-68.675.6164-81-33.9000109E381 Y385E381-D383 PolarHBondContact O-N 3.26Å; D383-Y385 VanDerWaalsContact C-N 3.3Å; D383-Y385 PolarHBondContact O-N 3.41Å
384D27.4Very low35Very low135 Ų135134.4 Ų134.472%0.72269%0.685SS**  trans-79.583.2167.8-87.8-21.8000109K382K382-D384 PolarHBondContact O-N 3.04Å
385Y28.5Very low34.1Very low183 Ų183135.2 Ų135.272%0.71870%0.696SS**  trans-129.347.4163.7-102.7-82.4000111.1K9 D383K9-Y385 PolarHBondContact NZ-OH 3.49Å; D383-Y385 VanDerWaalsContact C-N 3.3Å; D383-Y385 PolarHBondContact O-N 3.41Å
386Q31.7Very low33Very low172 Ų172140.3 Ų140.380%0.80473%0.729SS**SBendtrans-143.8125.2159.7-75.4-162.6-20.200112.7
387S31.3Very low32Very low113 Ų113138.4 Ų138.479%0.7973%0.732SS**  trans52.397.8155.9610000119.5L389S387-L389 PolarHBondContact O-N 2.95Å
388S25.5Very low31.6Very low113 Ų113138.7 Ų138.779%0.7973%0.733SS**  trans-65.5113.6146.7550000109.8
389L28.9Very low30.8Very low160 Ų160143.2 Ų143.284%0.83876%0.762SS**  trans171.398.1148.1-94.5149.8000110.1S387S387-L389 PolarHBondContact O-N 2.95Å
390K31.4Very low30.5Very low191 Ų191150.2 Ų150.283%0.8378%0.781SS**  153.4117.1126.4-83.1175.4179.9-177.60113.7
391S34.3Very low29.7Very low118 Ų118149.4 Ų149.483%0.82578%0.78SS**  trans43.2121.6143.954.90000122
392K27.3Very low29.2Very low204 Ų204151.3 Ų151.389%0.88779%0.793SS**  trans-74.3147172.4-65.4170.2170.4178.30114.3
393S32.7Very low28.8Very low109 Ų109150.4 Ų150.476%0.76279%0.792SS**  trans174.999.3133.953.10000108.8
394L29.4Very low28.5Very low175 Ų175152.2 Ų152.292%0.91680%0.802SS**  98.714587-113.5117.2000113.5
395P31.1Very low28.4Very low104 Ų104150.2 Ų150.268%0.67580%0.798SS**  trans-119.9176.3-155.840.3-24.3000115
396T31.5Very low28.3Very low133 Ų133148 Ų14882%0.81680%0.799SS**  trans-176.3110.915716.30000108.4
397S26.4Very low28.2Very low99 Ų99146.6 Ų146.669%0.69280%0.802SS**  62116.898.470.30000115.6
398E30.4Very low28Very low180 Ų180146.2 Ų146.284%0.84180%0.799SS**  -176151.3127-102.3170.9-162.500113.3
399T24Very low28.2Very low120 Ų120148.5 Ų148.574%0.73680%0.803SS**  trans-107.3139.7-163.7-49.30000109.3
400Y27.6Very low28Very low218 Ų218147.8 Ų147.886%0.85580%0.8SS**  trans-146.1122.1156.3-89.7-79.7000111.9
401Q22.1Very low27.7Very low173 Ų173148.5 Ų148.581%0.80880%0.803SS**  trans-96.2146.3157.5-77.7-171.4-27.100108.4
402L26.2Very low27.1Very low168 Ų168149 Ų14988%0.8880%0.801SS**  trans-140.2120.9153.9-91.7164.6000108.9
403Q22.5Very low26.9Very low165 Ų165148.9 Ų148.977%0.77180%0.797SS**  trans-80.1146.5153.8-70.7174.1-62.900107.9
404D29.2Very low26.5Very low164 Ų164153.4 Ų153.488%0.87780%0.803SS**  -176.4159.6127.7-91.6-19.4000111.8
405S25.6Very low26.1Very low92 Ų92156.3 Ų156.364%0.64380%0.802SS**  trans-97.6174-152.252.80000115.5
406D25.4Very low25.7Very low137 Ų137154.2 Ų154.273%0.73380%0.799SS**  trans70.9115.3153.4-57.7-38.1000119.5
407T30.2Very low25.3Very low143 Ų143155.7 Ų155.788%0.87780%0.802SS**  -173138.5104.7250000111
408S26.2Very low25.3Very low104 Ų104156.7 Ų156.773%0.72781%0.808SS**  trans-63.3138.5172.654.50000112.4
409D28.8Very low25.1Very low162 Ų162155.8 Ų155.887%0.86681%0.808SS**  trans-140.4124.5148.4-98.9-28.5000111.3
410N25.8Very low25.6Very low145 Ų145154.9 Ų154.978%0.77581%0.807SS**  trans-71.1131.6174-77-50.3000110.5
411F24.9Very low26.2Very low206 Ų206148.2 Ų148.290%0.90479%0.788SS**  trans-143.9117.1147.5-90.5-77.9000111.2
412T22.6Very low27.5Very low128 Ų128141.6 Ų141.679%0.78576%0.759SS**  trans-104.9146.3168.130.40000110.4
413Y22.3Very low28.5Very low201 Ų201136.2 Ų136.279%0.78874%0.735SS**  trans75113.3166.8-91.8-92.8000119.9
414F23.6Very low29.5Very low204 Ų204130.4 Ų130.490%0.89571%0.709SS**  -149.5119.9107.7-101.5-80.2000110.3
415R21.5Very low30.5Very low236 Ų236129.3 Ų129.389%0.89170%0.698SS**  trans-78.9112.9157.7-158.5-179.6-166-179.73.4104.5
416G23.4Very low31.9Very low60 Ų60129.9 Ų129.962%0.61969%0.689SS**  trans-146.7113.3-17400000110.7C418G416-C418 PolarHBondContact O-N 3.34Å
417D22.2Very low33.1Very low165 Ų165123.7 Ų123.788%0.88266%0.656SS**  trans-58.1122.3172.1-59.5-56.7000110.8
418C26.4Very low34.1Very low120 Ų120120.5 Ų120.581%0.81163%0.634SS**  trans-152.970.3164.2-72.20000108.8G416 S420G416-C418 PolarHBondContact O-N 3.34Å; C418-S420 PolarHBondContact O-N 2.71Å
419L26.1Very low35.4Very low160 Ų160119.8 Ų119.884%0.83862%0.622SS**  trans-68.983.5150.8-75.6168.3000106.2T421L419-T421 PolarHBondContact O-N 2.96Å
420S35.1Very low36.5Very low102 Ų102112.7 Ų112.771%0.71359%0.585SS**  trans-70.796.1153.5630000104.7C418 D422C418-S420 PolarHBondContact O-N 2.71Å; S420-D422 PolarHBondContact O-N 3.41Å
421T39.2Very low37.9Very low77 Ų77107.5 Ų107.547%0.47256%0.557SS.*  trans-51.5108165.547.90000105.6D326 L419 S423D326-T421 WeakPolarHBondContact OD2-CG2 3.43Å; L419-T421 PolarHBondContact O-N 2.96Å; T421-S423 PolarHBondContact O-N 2.98Å
422D49.5Very low39Very low34 Ų34101.9 Ų101.918%0.18254%0.543CS..  trans-59.294159.7-105.4-32.8000103.3S420 I424 K426 I427S420-D422 PolarHBondContact O-N 3.41Å; D422-I424 PolarHBondContact O-N 3.32Å; D422-K426 HydrophobicContact CB-CD 4.35Å; D422-K426 WeakPolarHBondContact OD1-CD 3.45Å; D422-K426 IonicContact OD1-NZ 2.92Å; D422-K426 PolarHBondContact OD1-NZ 2.9Å; D422-I427 WeakPolarHBondContact O-CD1 3.17Å; D422-I427 WeakPolarHBondContact O-CG1 3.36Å
423S47.9Very low40.4Very low55 Ų5597.9 Ų97.939%0.38552%0.52SS..THydrogen-bonded Turntrans-27.5125.3-168.935.80000110.4T421 E425 K426T421-S423 PolarHBondContact O-N 2.98Å; S423-E425 CarbonylContact O-C 3.57Å; S423-E425 PolarHBondContact O-N 3.18Å; S423-K426 WeakPolarHBondContact O-CA 3.39Å; S423-K426 WeakPolarHBondContact O-CB 3.47Å; S423-K426 PolarHBondContact O-N 3.27Å
424I44.2Very low41.8Very low43 Ų4392.2 Ų92.222%0.22150%0.504CS..Hα-helixtrans-35.5-36.9-176.1-61.1172000113.2D326 M327 D422 I427 N428D326-I424 HydrophobicContact CB-CD1 3.39Å; D326-I424 HydrophobicContact CB-CG1 3.76Å; M327-I424 HydrophobicContact CG-CD1 4.33Å; M327-I424 HydrophobicContact SD-CD1 4.12Å; D422-I424 PolarHBondContact O-N 3.32Å; I424-I427 PolarHBondContact O-N 2.7Å; I424-N428 WeakPolarHBondContact CG2-ND2 3.41Å; I424-N428 WeakPolarHBondContact O-CB 3.13Å; I424-N428 VanDerWaalsContact O-CG 3.29Å; I424-N428 PolarHBondContact O-N 3.05Å; I424-N428 PolarHBondContact O-ND2 2.91Å
425E50.7Low43.3Very low141 Ų14183.8 Ų83.866%0.65947%0.467SS*.Hα-helixtrans-54.4-47.1171.9-166.3174.2-17200114.6S423 N428 N429S423-E425 CarbonylContact O-C 3.57Å; S423-E425 PolarHBondContact O-N 3.18Å; E425-N428 PolarHBondContact O-N 2.79Å; E425-N429 VanDerWaalsContact O-CB 3.26Å; E425-N429 WeakPolarHBondContact O-CB 3.38Å; E425-N429 PolarHBondContact O-N 3.17Å; E425-N429 PolarHBondContact O-ND2 2.96Å
426K53.2Low44.8Very low104 Ų10475 Ų7545%0.45244%0.441SS..Hα-helixtrans-61.5-42.8173.2-69.2-175.5-171177.50112.3D422 S423 N429 C430D422-K426 HydrophobicContact CB-CD 4.35Å; D422-K426 WeakPolarHBondContact OD1-CD 3.45Å; D422-K426 IonicContact OD1-NZ 2.92Å; D422-K426 PolarHBondContact OD1-NZ 2.9Å; S423-K426 WeakPolarHBondContact O-CA 3.39Å; S423-K426 WeakPolarHBondContact O-CB 3.47Å; S423-K426 PolarHBondContact O-N 3.27Å; K426-N429 PolarHBondContact O-N 3.16Å; K426-C430 WeakPolarHBondContact O-CB 3.28Å; K426-C430 PolarHBondContact O-N 3.42Å; K426-C430 PolarHBondContact O-SG 2.99Å
427I50.5Low46.5Very low7 Ų772.9 Ų72.94%0.03642%0.419CS..Hα-helixtrans-63.8-48.7176.7-63.8169.7000109.5L319 L322 D422 I424 N429 C430 L431L319-I427 HydrophobicContact CB-CG2 4.18Å; L319-I427 HydrophobicContact CD2-CG1 4.32Å; L319-I427 HydrophobicContact CD2-CG2 4.34Å; L319-I427 WeakPolarHBondContact O-CG2 2.68Å; L322-I427 HydrophobicContact CB-CD1 4.15Å; D422-I427 WeakPolarHBondContact O-CD1 3.17Å; D422-I427 WeakPolarHBondContact O-CG1 3.36Å; I424-I427 PolarHBondContact O-N 2.7Å; I427-N429 VanDerWaalsContact C-N 3.31Å; I427-N429 PolarHBondContact O-N 2.76Å; I427-C430 WeakPolarHBondContact O-CB 3.48Å; I427-C430 PolarHBondContact O-N 3.13Å; I427-C430 VanDerWaalsContact O-N 3.11Å; I427-L431 HydrophobicContact CG2-CD1 4.06Å; I427-L431 HydrophobicContact CG2-CG 4.47Å; I427-L431 WeakPolarHBondContact O-CG 3.14Å; I427-L431 PolarHBondContact O-N 2.9Å
428N51.9Low48.2Very low76 Ų7665.6 Ų65.641%0.40638%0.38SS..Hα-helixtrans-60.2-39.4176.8-74.8-21000112I424 E425 L431 S432I424-N428 WeakPolarHBondContact CG2-ND2 3.41Å; I424-N428 WeakPolarHBondContact O-CB 3.13Å; I424-N428 VanDerWaalsContact O-CG 3.29Å; I424-N428 PolarHBondContact O-N 3.05Å; I424-N428 PolarHBondContact O-ND2 2.91Å; E425-N428 PolarHBondContact O-N 2.79Å; N428-L431 CarbonylContact O-C 3.43Å; N428-L431 PolarHBondContact O-N 3.42Å; N428-S432 WeakPolarHBondContact O-CB 3.31Å; N428-S432 PolarHBondContact O-N 2.92Å; N428-S432 PolarHBondContact O-OG 2.95Å; N428-S432 VanDerWaalsContact O-OG 3.05Å
429N53.6Low49.8Very low89 Ų8960 Ų6048%0.47634%0.343SS..Hα-helixtrans-66.1-36.7174.7-72.3-20.3000112.5E425 K426 I427 L431 S432 S433E425-N429 VanDerWaalsContact O-CB 3.26Å; E425-N429 WeakPolarHBondContact O-CB 3.38Å; E425-N429 PolarHBondContact O-N 3.17Å; E425-N429 PolarHBondContact O-ND2 2.96Å; K426-N429 PolarHBondContact O-N 3.16Å; I427-N429 VanDerWaalsContact C-N 3.31Å; I427-N429 PolarHBondContact O-N 2.76Å; N429-L431 VanDerWaalsContact C-N 3.3Å; N429-S432 WeakPolarHBondContact CA-OG 3.45Å; N429-S432 PolarHBondContact O-N 2.79Å; N429-S432 PolarHBondContact O-OG 2.93Å; N429-S433 PolarHBondContact O-N 3.4Å; N429-S433 PolarHBondContact O-OG 3.11Å
430C51.5Low51.5Low13 Ų1357 Ų579%0.08833%0.327CS..Hα-helixtrans-67.4-33172.3-69.10000111.9C272 K426 I427 K435C272-C430 HydrophobicContact CB-CB 4.37Å; C272-C430 WeakPolarHBondContact CB-SG 3.44Å; C272-C430 VanDerWaalsContact SG-SG 3.69Å; K426-C430 WeakPolarHBondContact O-CB 3.28Å; K426-C430 PolarHBondContact O-N 3.42Å; K426-C430 PolarHBondContact O-SG 2.99Å; I427-C430 WeakPolarHBondContact O-CB 3.48Å; I427-C430 PolarHBondContact O-N 3.13Å; I427-C430 VanDerWaalsContact O-N 3.11Å; C430-K435 WeakPolarHBondContact O-CD 3.38Å
431L54.9Low52.5Low36 Ų3656 Ų5619%0.18831%0.308CS..Hα-helixtrans-79.3-26.7175.8-64.8174.1000113.4K316 I427 N428 N429K316-L431 HydrophobicContact CG-CD2 3.96Å; I427-L431 HydrophobicContact CG2-CD1 4.06Å; I427-L431 HydrophobicContact CG2-CG 4.47Å; I427-L431 WeakPolarHBondContact O-CG 3.14Å; I427-L431 PolarHBondContact O-N 2.9Å; N428-L431 CarbonylContact O-C 3.43Å; N428-L431 PolarHBondContact O-N 3.42Å; N429-L431 VanDerWaalsContact C-N 3.3Å
432S49Very low53.5Low88 Ų8852.3 Ų52.362%0.61529%0.285SS*.Hα-helixtrans-99.1-16.1-169.471.90000116.2N428 N429N428-S432 WeakPolarHBondContact O-CB 3.31Å; N428-S432 PolarHBondContact O-N 2.92Å; N428-S432 PolarHBondContact O-OG 2.95Å; N428-S432 VanDerWaalsContact O-OG 3.05Å; N429-S432 WeakPolarHBondContact CA-OG 3.45Å; N429-S432 PolarHBondContact O-N 2.79Å; N429-S432 PolarHBondContact O-OG 2.93Å
433S52.5Low54.2Low44 Ų4454.8 Ų54.831%0.30829%0.294SS..SBendtrans-67.2163.217038.30000110.7N429 K435N429-S433 PolarHBondContact O-N 3.4Å; N429-S433 PolarHBondContact O-OG 3.11Å; S433-K435 PolarHBondContact O-N 2.99Å; S433-K435 WeakPolarHBondContact OG-CD 3.28Å; S433-K435 VanDerWaalsContact OG-CE 3.32Å; S433-K435 WeakPolarHBondContact OG-CE 3.4Å; S433-K435 WeakPolarHBondContact OG-CG 3.42Å; S433-K435 PolarHBondContact OG-NZ 3.34Å
434D50.9Low54.7Low82 Ų8257 Ų5744%0.43930%0.299SS..THydrogen-bonded Turntrans-53.59.3-177.7-175.240.4000115.6S436 G437 I438 R441D434-S436 VanDerWaalsContact C-N 3.32Å; D434-S436 PolarHBondContact O-N 2.78Å; D434-G437 WeakPolarHBondContact O-CA 3.49Å; D434-G437 PolarHBondContact O-N 3.16Å; D434-I438 PolarHBondContact O-N 2.98Å; D434-R441 IonicContact OD1-NH1 2.72Å; D434-R441 PolarHBondContact OD1-NH1 2.8Å; D434-R441 IonicContact OD2-CZ 3.02Å; D434-R441 IonicContact OD2-NH1 3.91Å; D434-R441 PolarHBondContact OD2-NH1 2.79Å; D434-R441 IonicContact OD2-NH2 2.74Å; D434-R441 PolarHBondContact OD2-NH2 3.1Å; D434-R441 VanDerWaalsContact OD2-NH2 3.12Å
435K55.9Low55.6Low27 Ų2755.1 Ų55.112%0.11729%0.289CS..Hα-helixtrans-59.1-34.9174.5-55.7-167.3178.5140.20114.2Y275 D276 L279 C430 S433 G437 I438 L439Y275-K435 HydrophobicContact CD1-CD 4.19Å; Y275-K435 HydrophobicContact CE1-CB 4.11Å; Y275-K435 HydrophobicContact CE1-CD 3.76Å; D276-K435 VanDerWaalsContact CG-CE 3.46Å; D276-K435 WeakPolarHBondContact OD1-CD 3.32Å; D276-K435 WeakPolarHBondContact OD1-CE 3.17Å; D276-K435 IonicContact OD1-NZ 2.66Å; D276-K435 PolarHBondContact OD1-NZ 3.5Å; D276-K435 IonicContact OD2-NZ 3.23Å; D276-K435 PolarHBondContact OD2-NZ 3.39Å; L279-K435 HydrophobicContact CD2-CB 3.34Å; L279-K435 HydrophobicContact CD2-CD 3.64Å; L279-K435 HydrophobicContact CD2-CG 3.22Å; C430-K435 WeakPolarHBondContact O-CD 3.38Å; S433-K435 PolarHBondContact O-N 2.99Å; S433-K435 WeakPolarHBondContact OG-CD 3.28Å; S433-K435 VanDerWaalsContact OG-CE 3.32Å; S433-K435 WeakPolarHBondContact OG-CE 3.4Å; S433-K435 WeakPolarHBondContact OG-CG 3.42Å; S433-K435 PolarHBondContact OG-NZ 3.34Å; K435-G437 VanDerWaalsContact C-N 3.35Å; K435-I438 PolarHBondContact O-N 3.12Å; K435-L439 PolarHBondContact O-N 3.05Å; K435-L439 VanDerWaalsContact O-N 3.1Å
436S53.3Low56Low52 Ų5249.2 Ų49.236%0.36426%0.261SS..Hα-helixtrans-66.8-38.6171.2670000111.9D434 L439 N440D434-S436 VanDerWaalsContact C-N 3.32Å; D434-S436 PolarHBondContact O-N 2.78Å; S436-L439 PolarHBondContact O-N 2.94Å; S436-N440 WeakPolarHBondContact O-CB 3.34Å; S436-N440 PolarHBondContact O-N 3.38Å; S436-N440 PolarHBondContact O-ND2 3.26Å
437G57.6Low56.2Low15 Ų1547.8 Ų47.816%0.15526%0.264CS..Hα-helixtrans-60.3-45.517300000111.4D434 K435 N440 R441D434-G437 WeakPolarHBondContact O-CA 3.49Å; D434-G437 PolarHBondContact O-N 3.16Å; K435-G437 VanDerWaalsContact C-N 3.35Å; G437-N440 PolarHBondContact O-N 3.44Å; G437-R441 WeakPolarHBondContact O-CB 3.01Å; G437-R441 VanDerWaalsContact O-CG 3.28Å; G437-R441 WeakPolarHBondContact O-CG 3.47Å; G437-R441 PolarHBondContact O-N 3.01Å
438I57.7Low56.3Low12 Ų1251.5 Ų51.56%0.06228%0.277CS..Hα-helixtrans-58.2-52.6176.2-69.3162000111.6L279 N283 D434 K435 N440 R441 I442L279-I438 HydrophobicContact CD1-CB 3.84Å; L279-I438 HydrophobicContact CD1-CG2 3.4Å; L279-I438 VanDerWaalsContact CD1-CG2 3.4Å; L279-I438 HydrophobicContact CD2-CB 4.28Å; L279-I438 HydrophobicContact CD2-CD1 3.57Å; L279-I438 HydrophobicContact CD2-CG2 4.36Å; L279-I438 HydrophobicContact CG-CB 4.16Å; L279-I438 HydrophobicContact CG-CD1 4.04Å; L279-I438 HydrophobicContact CG-CG2 3.72Å; N283-I438 VanDerWaalsContact ND2-CD1 3.33Å; N283-I438 WeakPolarHBondContact ND2-CD1 3.28Å; N283-I438 WeakPolarHBondContact OD1-CG2 3.4Å; D434-I438 PolarHBondContact O-N 2.98Å; K435-I438 PolarHBondContact O-N 3.12Å; I438-N440 VanDerWaalsContact C-N 3.28Å; I438-N440 PolarHBondContact O-N 3.42Å; I438-R441 WeakPolarHBondContact O-CA 3.4Å; I438-R441 WeakPolarHBondContact O-CB 3.48Å; I438-R441 PolarHBondContact O-N 3.27Å; I438-R441 VanDerWaalsContact O-N 3.08Å; I438-I442 HydrophobicContact CG2-CD1 3.69Å; I438-I442 HydrophobicContact CG2-CG1 4.43Å; I438-I442 WeakPolarHBondContact O-CG1 3.31Å; I438-I442 PolarHBondContact O-N 2.96Å
439L60.8Low56.2Low4 Ų450.2 Ų50.22%0.02127%0.269CS..Hα-helixtrans-59.1-40.8177.7-80.6164.8000111.7Y275 L279 L309 T312 K316 K435 S436 I442 K443Y275-L439 HydrophobicContact CE2-CD1 4.35Å; Y275-L439 WeakPolarHBondContact OH-CD1 3.48Å; L279-L439 HydrophobicContact CD1-CD1 4.43Å; L279-L439 HydrophobicContact CD1-CD2 4.43Å; L279-L439 HydrophobicContact CD1-CG 3.86Å; L309-L439 HydrophobicContact CD1-CD2 3.36Å; T312-L439 HydrophobicContact CG2-CD1 4.43Å; T312-L439 HydrophobicContact CG2-CD2 4.02Å; K316-L439 HydrophobicContact CD-CD1 4.08Å; K435-L439 PolarHBondContact O-N 3.05Å; K435-L439 VanDerWaalsContact O-N 3.1Å; S436-L439 PolarHBondContact O-N 2.94Å; L439-I442 PolarHBondContact O-N 2.83Å; L439-K443 WeakPolarHBondContact O-CB 3.48Å; L439-K443 VanDerWaalsContact O-CG 3.22Å; L439-K443 WeakPolarHBondContact O-CG 3.39Å; L439-K443 PolarHBondContact O-N 3.13Å
440N61.1Low55.8Low97 Ų9748.7 Ų48.752%0.51926%0.261SS..Hα-helixtrans-65.7-38.8175.5-72.3-20.2000112S436 G437 I438 K443 H444S436-N440 WeakPolarHBondContact O-CB 3.34Å; S436-N440 PolarHBondContact O-N 3.38Å; S436-N440 PolarHBondContact O-ND2 3.26Å; G437-N440 PolarHBondContact O-N 3.44Å; I438-N440 VanDerWaalsContact C-N 3.28Å; I438-N440 PolarHBondContact O-N 3.42Å; N440-K443 PolarHBondContact O-N 2.93Å; N440-H444 WeakPolarHBondContact O-CB 3.48Å; N440-H444 PolarHBondContact O-N 3.37Å
441R56.9Low55.2Low79 Ų7950.4 Ų50.430%0.29828%0.276SS..Hα-helixtrans-62.3-43.6173.6-73.8-172-63.5-98.519111D434 G437 I438 W445D434-R441 IonicContact OD1-NH1 2.72Å; D434-R441 PolarHBondContact OD1-NH1 2.8Å; D434-R441 IonicContact OD2-CZ 3.02Å; D434-R441 IonicContact OD2-NH1 3.91Å; D434-R441 PolarHBondContact OD2-NH1 2.79Å; D434-R441 IonicContact OD2-NH2 2.74Å; D434-R441 PolarHBondContact OD2-NH2 3.1Å; D434-R441 VanDerWaalsContact OD2-NH2 3.12Å; G437-R441 WeakPolarHBondContact O-CB 3.01Å; G437-R441 VanDerWaalsContact O-CG 3.28Å; G437-R441 WeakPolarHBondContact O-CG 3.47Å; G437-R441 PolarHBondContact O-N 3.01Å; I438-R441 WeakPolarHBondContact O-CA 3.4Å; I438-R441 WeakPolarHBondContact O-CB 3.48Å; I438-R441 PolarHBondContact O-N 3.27Å; I438-R441 VanDerWaalsContact O-N 3.08Å; R441-W445 WeakPolarHBondContact O-CB 3.32Å; R441-W445 PolarHBondContact O-N 2.98Å
442I60.6Low54.4Low0 Ų055.2 Ų55.20%030%0.302CS..Hα-helixtrans-63.9-47.3176.5-64.1157.2000110.7L282 M286 I305 L309 I438 L439 W445 F446L282-I442 HydrophobicContact CB-CD1 3.62Å; L282-I442 HydrophobicContact CD1-CD1 4.05Å; L282-I442 HydrophobicContact CG-CD1 4.33Å; M286-I442 HydrophobicContact CE-CD1 4.05Å; M286-I442 HydrophobicContact CE-CG1 3.29Å; M286-I442 HydrophobicContact CG-CG1 4.11Å; M286-I442 HydrophobicContact SD-CB 4.11Å; M286-I442 HydrophobicContact SD-CG1 3.36Å; M286-I442 WeakPolarHBondContact SD-CG1 3.45Å; I305-I442 HydrophobicContact CG2-CG2 3.87Å; L309-I442 HydrophobicContact CD1-CG2 4.04Å; L309-I442 HydrophobicContact CD2-CG2 4.11Å; I438-I442 HydrophobicContact CG2-CD1 3.69Å; I438-I442 HydrophobicContact CG2-CG1 4.43Å; I438-I442 WeakPolarHBondContact O-CG1 3.31Å; I438-I442 PolarHBondContact O-N 2.96Å; L439-I442 PolarHBondContact O-N 2.83Å; I442-W445 WeakPolarHBondContact O-CB 3.45Å; I442-W445 PolarHBondContact O-N 3.32Å; I442-F446 HydrophobicContact CG2-CD2 3.85Å; I442-F446 HydrophobicContact CG2-CE2 3.72Å; I442-F446 VanDerWaalsContact O-CD2 3.3Å; I442-F446 WeakPolarHBondContact O-CD2 3.36Å; I442-F446 PolarHBondContact O-N 2.96Å
443K62.7Low53.7Low86 Ų8655.3 Ų55.337%0.37430%0.299SS..Hα-helixtrans-60.9-47.5176.9-73.7173.1-177.1-168.30112.2L309 E313 L439 N440 W445 F446 S447L309-K443 HydrophobicContact CD2-CG 4.33Å; E313-K443 WeakPolarHBondContact OE1-CE 3.49Å; E313-K443 IonicContact OE1-NZ 3.06Å; E313-K443 PolarHBondContact OE1-NZ 2.85Å; L439-K443 WeakPolarHBondContact O-CB 3.48Å; L439-K443 VanDerWaalsContact O-CG 3.22Å; L439-K443 WeakPolarHBondContact O-CG 3.39Å; L439-K443 PolarHBondContact O-N 3.13Å; N440-K443 PolarHBondContact O-N 2.93Å; K443-W445 VanDerWaalsContact C-N 3.29Å; K443-W445 PolarHBondContact O-N 3.42Å; K443-F446 PolarHBondContact O-N 2.98Å; K443-S447 PolarHBondContact O-N 3.07Å
444H60Low52.7Low103 Ų10359 Ų5948%0.47731%0.31SS..Hα-helixtrans-63.7-37.6176.7-179.6-103.3000111.1N440 S447 R448N440-H444 WeakPolarHBondContact O-CB 3.48Å; N440-H444 PolarHBondContact O-N 3.37Å; H444-S447 WeakPolarHBondContact O-CB 3.36Å; H444-S447 PolarHBondContact O-N 2.95Å; H444-R448 VanDerWaalsContact CE1-CD 3.47Å; H444-R448 WeakPolarHBondContact CE1-CD 3.48Å; H444-R448 PolarHBondContact CE1-NE 2.9Å; H444-R448 VanDerWaalsContact CE1-NE 3.29Å; H444-R448 WeakPolarHBondContact O-CG 3.47Å; H444-R448 PolarHBondContact O-N 3.32Å
445W61.9Low51.8Low3 Ų362.3 Ų62.31%0.01133%0.327CS..Hα-helixtrans-61.3-47.3173.2173.188000111.5Y289 R302 I305 R441 I442 K443 S447 R448 Q449Y289-W445 HydrophobicContact CD1-CH2 4.26Å; Y289-W445 AromaticContact CD1-CZ2 3.36Å; Y289-W445 HydrophobicContact CD1-CZ2 3.36Å; Y289-W445 AromaticContact CD2-CH2 3.85Å; Y289-W445 HydrophobicContact CD2-CH2 3.85Å; Y289-W445 AromaticContact CD2-CZ2 3.78Å; Y289-W445 HydrophobicContact CD2-CZ2 3.78Å; Y289-W445 HydrophobicContact CE1-CH2 4.32Å; Y289-W445 AromaticContact CE1-CZ2 3.4Å; Y289-W445 HydrophobicContact CE1-CZ2 3.4Å; Y289-W445 VanDerWaalsContact CE1-CZ2 3.4Å; Y289-W445 AromaticContact CE2-CH2 3.9Å; Y289-W445 HydrophobicContact CE2-CH2 3.9Å; Y289-W445 AromaticContact CE2-CZ2 3.8Å; Y289-W445 HydrophobicContact CE2-CZ2 3.8Å; Y289-W445 AromaticContact CG-CH2 4Å; Y289-W445 HydrophobicContact CG-CH2 4Å; Y289-W445 AromaticContact CG-CZ2 3.52Å; Y289-W445 HydrophobicContact CG-CZ2 3.52Å; Y289-W445 AromaticContact CZ-CZ2 3.58Å; R302-W445 HydrophobicContact CG-CH2 4.32Å; I305-W445 HydrophobicContact CD1-CH2 3.76Å; I305-W445 HydrophobicContact CD1-CZ3 3.87Å; I305-W445 HydrophobicContact CG2-CZ3 4.36Å; R441-W445 WeakPolarHBondContact O-CB 3.32Å; R441-W445 PolarHBondContact O-N 2.98Å; I442-W445 WeakPolarHBondContact O-CB 3.45Å; I442-W445 PolarHBondContact O-N 3.32Å; K443-W445 VanDerWaalsContact C-N 3.29Å; K443-W445 PolarHBondContact O-N 3.42Å; W445-S447 VanDerWaalsContact C-N 3.34Å; W445-S447 PolarHBondContact O-N 3.32Å; W445-R448 PolarHBondContact O-N 3.44Å; W445-Q449 HydrophobicContact CD2-CG 3.94Å; W445-Q449 VanDerWaalsContact CE2-CG 3.49Å; W445-Q449 HydrophobicContact CE3-CG 4.35Å; W445-Q449 HydrophobicContact CH2-CG 3.99Å; W445-Q449 HydrophobicContact CZ2-CG 3.51Å; W445-Q449 HydrophobicContact CZ3-CG 4.39Å; W445-Q449 WeakPolarHBondContact O-CG 3.42Å; W445-Q449 PolarHBondContact O-N 3.24Å
446F60.3Low50.5Low17 Ų1766.7 Ų66.78%0.07536%0.358CS..Hα-helixtrans-59.1-45.1173.7-86.2-66.1000112.2R302 I305 K306 L309 I442 K443 R448 Q449 N450R302-F446 HydrophobicContact CG-CE1 3.79Å; I305-F446 HydrophobicContact CB-CE2 4.16Å; I305-F446 HydrophobicContact CB-CZ 3.62Å; I305-F446 HydrophobicContact CG2-CD2 4.46Å; I305-F446 HydrophobicContact CG2-CE1 4.46Å; I305-F446 HydrophobicContact CG2-CE2 3.3Å; I305-F446 HydrophobicContact CG2-CZ 3.29Å; K306-F446 HydrophobicContact CB-CZ 4.24Å; K306-F446 HydrophobicContact CD-CE1 4.35Å; K306-F446 HydrophobicContact CG-CD1 4.38Å; K306-F446 HydrophobicContact CG-CE1 3.43Å; K306-F446 VanDerWaalsContact CG-CE1 3.43Å; K306-F446 HydrophobicContact CG-CE2 4.4Å; K306-F446 HydrophobicContact CG-CZ 3.45Å; K306-F446 VanDerWaalsContact CG-CZ 3.45Å; L309-F446 HydrophobicContact CD2-CD2 3.91Å; L309-F446 HydrophobicContact CD2-CE2 3.76Å; I442-F446 HydrophobicContact CG2-CD2 3.85Å; I442-F446 HydrophobicContact CG2-CE2 3.72Å; I442-F446 VanDerWaalsContact O-CD2 3.3Å; I442-F446 WeakPolarHBondContact O-CD2 3.36Å; I442-F446 PolarHBondContact O-N 2.96Å; K443-F446 PolarHBondContact O-N 2.98Å; F446-R448 VanDerWaalsContact C-N 3.27Å; F446-R448 PolarHBondContact O-N 3.49Å; F446-Q449 PolarHBondContact O-N 2.91Å; F446-N450 WeakPolarHBondContact O-CB 2.87Å; F446-N450 VanDerWaalsContact O-CG 3.25Å; F446-N450 PolarHBondContact O-N 2.81Å; F446-N450 PolarHBondContact O-ND2 3.23Å
447S55.7Low49.3Very low74 Ų7468.9 Ų68.952%0.51737%0.372SS..Hα-helixtrans-55.7-44.3176.1-179.10000111.2K443 H444 W445 N450 A451K443-S447 PolarHBondContact O-N 3.07Å; H444-S447 WeakPolarHBondContact O-CB 3.36Å; H444-S447 PolarHBondContact O-N 2.95Å; W445-S447 VanDerWaalsContact C-N 3.34Å; W445-S447 PolarHBondContact O-N 3.32Å; S447-N450 PolarHBondContact O-N 3.07Å; S447-A451 WeakPolarHBondContact O-CB 3.24Å; S447-A451 PolarHBondContact O-N 2.83Å
448R53.1Low47.9Very low84 Ų8477 Ų7732%0.31741%0.407SS..Hα-helixtrans-69.2-39.9176.5-77.1-176.7149.8-151.1-11.3114.5D80 H444 W445 F446 N450 A451 N452D80-R448 VanDerWaalsContact CG-NH1 3.32Å; D80-R448 IonicContact OD2-CZ 3.14Å; D80-R448 IonicContact OD2-NH1 3.33Å; D80-R448 PolarHBondContact OD2-NH1 3Å; D80-R448 IonicContact OD2-NH2 2.6Å; H444-R448 VanDerWaalsContact CE1-CD 3.47Å; H444-R448 WeakPolarHBondContact CE1-CD 3.48Å; H444-R448 PolarHBondContact CE1-NE 2.9Å; H444-R448 VanDerWaalsContact CE1-NE 3.29Å; H444-R448 WeakPolarHBondContact O-CG 3.47Å; H444-R448 PolarHBondContact O-N 3.32Å; W445-R448 PolarHBondContact O-N 3.44Å; F446-R448 VanDerWaalsContact C-N 3.27Å; F446-R448 PolarHBondContact O-N 3.49Å; R448-N450 PolarHBondContact O-N 3.07Å; R448-A451 PolarHBondContact O-N 3.3Å; R448-A451 VanDerWaalsContact O-N 3.16Å; R448-N452 PolarHBondContact O-N 2.87Å
449Q50.8Low46.5Very low49 Ų4985.7 Ų85.723%0.22944%0.444CS..Hα-helixtrans-62.3-33.6175.6-66.4-49.3-63.400111Y289 W445 F446Y289-Q449 PolarHBondContact OH-OE1 3.39Å; W445-Q449 HydrophobicContact CD2-CG 3.94Å; W445-Q449 VanDerWaalsContact CE2-CG 3.49Å; W445-Q449 HydrophobicContact CE3-CG 4.35Å; W445-Q449 HydrophobicContact CH2-CG 3.99Å; W445-Q449 HydrophobicContact CZ2-CG 3.51Å; W445-Q449 HydrophobicContact CZ3-CG 4.39Å; W445-Q449 WeakPolarHBondContact O-CG 3.42Å; W445-Q449 PolarHBondContact O-N 3.24Å; F446-Q449 PolarHBondContact O-N 2.91Å
450N45Very low44.8Very low58 Ų5891 Ų9131%0.3148%0.481SS..Hα-helixtrans-77.1-34.5174.3-64.3-18.9000111.7F446 S447 R448 N452 T453F446-N450 WeakPolarHBondContact O-CB 2.87Å; F446-N450 VanDerWaalsContact O-CG 3.25Å; F446-N450 PolarHBondContact O-N 2.81Å; F446-N450 PolarHBondContact O-ND2 3.23Å; S447-N450 PolarHBondContact O-N 3.07Å; R448-N450 PolarHBondContact O-N 3.07Å; N450-N452 VanDerWaalsContact C-N 3.33Å; N450-N452 PolarHBondContact O-N 2.84Å; N450-T453 PolarHBondContact O-N 2.8Å; N450-T453 PolarHBondContact O-OG1 3.04Å
451A38.2Very low43.1Very low49 Ų4989.2 Ų89.241%0.40549%0.487SS..Hα-helixtrans-67.8-25.8177.700000113.9S447 R448 T453 K454S447-A451 WeakPolarHBondContact O-CB 3.24Å; S447-A451 PolarHBondContact O-N 2.83Å; R448-A451 PolarHBondContact O-N 3.3Å; R448-A451 VanDerWaalsContact O-N 3.16Å; A451-T453 PolarHBondContact O-N 3.27Å; A451-K454 PolarHBondContact O-N 3.03Å
452N37.5Very low41.7Very low137 Ų13793 Ų9373%0.73351%0.513SS*.THydrogen-bonded Turntrans-69.212.3175-82-13.4000114.7R448 N450R448-N452 PolarHBondContact O-N 2.87Å; N450-N452 VanDerWaalsContact C-N 3.33Å; N450-N452 PolarHBondContact O-N 2.84Å
453T35.1Very low40.1Very low90 Ų9096.7 Ų96.755%0.55254%0.543SS*.THydrogen-bonded Turntrans-102.98.7163.853.80000113.5N450 A451 K518N450-T453 PolarHBondContact O-N 2.8Å; N450-T453 PolarHBondContact O-OG1 3.04Å; A451-T453 PolarHBondContact O-N 3.27Å; T453-K518 PolarHBondContact OG1-NZ 3.31Å
454K32.3Very low38.8Very low121 Ų121100.4 Ų100.453%0.52657%0.567SS.*  trans-118.8102.2178.7-68.2-175.6178.9176.50111.4A451 E519A451-K454 PolarHBondContact O-N 3.03Å; K454-E519 WeakPolarHBondContact CE-OE1 3.32Å; K454-E519 IonicContact NZ-OE1 3.14Å; K454-E519 PolarHBondContact NZ-OE1 3.06Å; K454-E519 IonicContact NZ-OE2 3.82Å
455N32.1Very low38.6Very low151 Ų15198.3 Ų98.381%0.80756%0.564SS**  trans-72.4120.3146.8-105.9-17000106.4C457N455-C457 VanDerWaalsContact C-N 3.27Å; N455-C457 PolarHBondContact O-N 3.15Å
456P27.2Very low38.2Very low119 Ų11999.4 Ų99.477%0.77357%0.572SS**  trans-78.285.1169.231.2-27000107.4E458P456-E458 PolarHBondContact O-N 3.3Å
457C29.5Very low38.2Very low98 Ų9899.8 Ų99.866%0.66258%0.577SS**  trans-73.4112.3157.7-74.40000106.8N455 F459N455-C457 VanDerWaalsContact C-N 3.27Å; N455-C457 PolarHBondContact O-N 3.15Å; C457-F459 PolarHBondContact O-N 2.83Å
458E26.6Very low38.9Very low186 Ų186100.1 Ų100.187%0.86957%0.573SS**  trans-47.7104.8164.7-66.9172.3155.200109.2P456P456-E458 PolarHBondContact O-N 3.3Å
459F28.8Very low40Very low194 Ų19499.7 Ų99.785%0.85158%0.576SS**  trans-98.182.3165.1-104.1-85.3000108.3C457C457-F459 PolarHBondContact O-N 2.83Å
460S25.6Very low41.2Very low115 Ų11597.3 Ų97.380%0.80457%0.565SS**  trans-76.1109.515355.80000107.8
461G25.1Very low42.6Very low61 Ų6198.6 Ų98.663%0.62958%0.575SS**  trans158.9110.6169.100000116.4
462N27.4Very low44.6Very low158 Ų158102.9 Ų102.985%0.84559%0.587SS**  trans67.2112159.3-76.9-10.8000120.3
463A27.4Very low47.1Very low78 Ų7896.5 Ų96.565%0.64555%0.552SS**SBendtrans-53145.2165.500000112.8
464N35.8Very low49.5Very low164 Ų16493.2 Ų93.288%0.87753%0.531SS*.  trans10328.1172.3-56.7-9.3000118.2
465S54.9Low51.7Low58 Ų5892.5 Ų92.541%0.40653%0.533SS..  trans-103.3145.517177.70000112.8S467 N468S465-S467 PolarHBondContact O-N 2.91Å; S465-N468 PolarHBondContact O-N 3.23Å
466S54.6Low54.3Low26 Ų2690.4 Ų90.418%0.18252%0.517CS..Hα-helixtrans-50-24.1175.1-59.80000114.1N468 E503S466-N468 VanDerWaalsContact C-N 3.34Å; S466-N468 PolarHBondContact O-N 3.16Å; S466-E503 VanDerWaalsContact CB-O 3.28Å; S466-E503 WeakPolarHBondContact CB-O 3.43Å; S466-E503 VanDerWaalsContact CB-OE2 3.28Å; S466-E503 WeakPolarHBondContact CB-OE2 3.38Å; S466-E503 PolarHBondContact OG-OE2 3.13Å
467S59.7Low57.1Low25 Ų2584.7 Ų84.718%0.17548%0.48CS..Hα-helixtrans-60.9-34.7173.5-73.70000114S465 I469 V471 D507 S512S465-S467 PolarHBondContact O-N 2.91Å; S467-I469 PolarHBondContact O-N 3.07Å; S467-V471 WeakPolarHBondContact O-CB 3.35Å; S467-V471 WeakPolarHBondContact O-CG2 3.48Å; S467-V471 PolarHBondContact O-N 2.94Å; S467-D507 PolarHBondContact OG-OD2 2.7Å; S467-D507 VanDerWaalsContact OG-OD2 3.07Å; S467-S512 PolarHBondContact OG-OG 2.93Å; S467-S512 VanDerWaalsContact OG-OG 3.07Å
468N69.5Low59.6Low82 Ų8284.4 Ų84.444%0.43947%0.465SS..Hα-helixtrans-66.9-39.3-177.8-81.3-14000112.3S465 S466 V471 E472S465-N468 PolarHBondContact O-N 3.23Å; S466-N468 VanDerWaalsContact C-N 3.34Å; S466-N468 PolarHBondContact O-N 3.16Å; N468-V471 PolarHBondContact O-N 3.48Å; N468-E472 WeakPolarHBondContact O-CB 3.32Å; N468-E472 WeakPolarHBondContact O-CG 3.37Å; N468-E472 PolarHBondContact O-N 3.49Å
469I77.1Confident62.2Low74 Ų7480.7 Ų80.738%0.37945%0.446SS..Hα-helixtrans-63.4-46.5-179.3-63.3170.4000110.1S467 V471 E472 F473 E503S467-I469 PolarHBondContact O-N 3.07Å; I469-V471 VanDerWaalsContact C-N 3.35Å; I469-V471 PolarHBondContact O-N 3.15Å; I469-E472 PolarHBondContact O-N 2.99Å; I469-F473 WeakPolarHBondContact O-CB 3.39Å; I469-F473 PolarHBondContact O-N 3.44Å; I469-E503 HydrophobicContact CB-CG 4.46Å; I469-E503 HydrophobicContact CD1-CG 3.9Å; I469-E503 HydrophobicContact CG2-CG 4.3Å
470V76.5Confident64.8Low0 Ų072.2 Ų72.20%041%0.41CS..Hα-helixtrans-64.7-40.2178.8-1790000111.2F473 L474 C500 E503 A504 L516 L520V470-F473 PolarHBondContact O-N 2.77Å; V470-L474 HydrophobicContact CG1-CD1 4.09Å; V470-L474 HydrophobicContact CG1-CG 4.5Å; V470-L474 VanDerWaalsContact O-CG 3.28Å; V470-L474 WeakPolarHBondContact O-CG 3.46Å; V470-L474 PolarHBondContact O-N 3.42Å; V470-C500 HydrophobicContact CG2-CB 4.2Å; V470-E503 HydrophobicContact CG2-CB 4.4Å; V470-A504 HydrophobicContact CG2-CB 4.46Å; V470-L516 HydrophobicContact CB-CD2 3.91Å; V470-L516 HydrophobicContact CG1-CD2 3.86Å; V470-L516 HydrophobicContact CG2-CD2 4.35Å; V470-L520 HydrophobicContact CG1-CD1 4.28Å; V470-L520 HydrophobicContact CG1-CD2 4.02Å; V470-L520 HydrophobicContact CG1-CG 3.99Å
471V72.9Confident67.5Low85 Ų8568.1 Ų68.152%0.51538%0.379SS..Hα-helixtrans-66.2-44.5178.6170.60000111.7S467 N468 I469 F473 L474 D475S467-V471 WeakPolarHBondContact O-CB 3.35Å; S467-V471 WeakPolarHBondContact O-CG2 3.48Å; S467-V471 PolarHBondContact O-N 2.94Å; N468-V471 PolarHBondContact O-N 3.48Å; I469-V471 VanDerWaalsContact C-N 3.35Å; I469-V471 PolarHBondContact O-N 3.15Å; V471-F473 VanDerWaalsContact C-N 3.32Å; V471-F473 PolarHBondContact O-N 2.72Å; V471-L474 PolarHBondContact O-N 3.16Å; V471-D475 PolarHBondContact O-N 3.37Å
472E81.2Confident69.8Low139 Ų13969.3 Ų69.365%0.6538%0.377SS*.Hα-helixtrans-61.8-41176.7-76.1-176.8-178.400112N468 I469 K476N468-E472 WeakPolarHBondContact O-CB 3.32Å; N468-E472 WeakPolarHBondContact O-CG 3.37Å; N468-E472 PolarHBondContact O-N 3.49Å; I469-E472 PolarHBondContact O-N 2.99Å; E472-K476 WeakPolarHBondContact O-CB 3.41Å; E472-K476 PolarHBondContact O-N 2.92Å; E472-K476 VanDerWaalsContact O-N 3.11Å
473F89.3Confident72.5Confident3 Ų367.8 Ų67.81%0.01336%0.363CS..Hα-helixtrans-57.7-51.3173.2163.6-103.2000112I469 V470 V471 D475 K476 F477 Y492 F493 E496 F497 C500 L520 A523I469-F473 WeakPolarHBondContact O-CB 3.39Å; I469-F473 PolarHBondContact O-N 3.44Å; V470-F473 PolarHBondContact O-N 2.77Å; V471-F473 VanDerWaalsContact C-N 3.32Å; V471-F473 PolarHBondContact O-N 2.72Å; F473-D475 PolarHBondContact O-N 3.03Å; F473-K476 PolarHBondContact O-N 3.06Å; F473-F477 WeakPolarHBondContact O-CB 3.4Å; F473-F477 PolarHBondContact O-N 3.08Å; F473-Y492 HydrophobicContact CD2-CD1 4.43Å; F473-Y492 AromaticContact CD2-CE1 3.7Å; F473-Y492 HydrophobicContact CD2-CE1 3.7Å; F473-Y492 HydrophobicContact CE2-CD1 4.42Å; F473-Y492 HydrophobicContact CE2-CE1 4.13Å; F473-F493 HydrophobicContact CE2-CD2 4.46Å; F473-F493 AromaticContact CZ-CD2 3.66Å; F473-F493 HydrophobicContact CZ-CD2 3.66Å; F473-F493 HydrophobicContact CZ-CE2 4Å; F473-F493 HydrophobicContact CZ-CG 4.47Å; F473-E496 HydrophobicContact CD2-CB 3.56Å; F473-E496 HydrophobicContact CD2-CG 4.42Å; F473-E496 HydrophobicContact CE2-CB 3.75Å; F473-F497 HydrophobicContact CE1-CD2 4.17Å; F473-F497 HydrophobicContact CZ-CB 4.25Å; F473-F497 HydrophobicContact CZ-CD2 4.07Å; F473-C500 WeakPolarHBondContact CB-SG 3.44Å; F473-C500 HydrophobicContact CD1-CB 4.32Å; F473-C500 WeakPolarHBondContact CG-SG 3.43Å; F473-L520 HydrophobicContact CD1-CD2 4.13Å; F473-L520 HydrophobicContact CE1-CD2 3.92Å; F473-A523 HydrophobicContact CE1-CB 4.47Å
474L85.3Confident75.2Confident21 Ų2171.8 Ų71.811%0.1137%0.368CS..Hα-helixtrans-62.7-44.9-178.9-68.9170.1000111.6V470 V471 K476 F477 Y478 E519 A523V470-L474 HydrophobicContact CG1-CD1 4.09Å; V470-L474 HydrophobicContact CG1-CG 4.5Å; V470-L474 VanDerWaalsContact O-CG 3.28Å; V470-L474 WeakPolarHBondContact O-CG 3.46Å; V470-L474 PolarHBondContact O-N 3.42Å; V471-L474 PolarHBondContact O-N 3.16Å; L474-K476 PolarHBondContact O-N 2.99Å; L474-F477 PolarHBondContact O-N 3.2Å; L474-Y478 HydrophobicContact CD2-CE2 4.24Å; L474-Y478 VanDerWaalsContact O-CD2 3.23Å; L474-Y478 WeakPolarHBondContact O-CD2 3.38Å; L474-Y478 PolarHBondContact O-N 2.84Å; L474-E519 HydrophobicContact CD1-CB 3.68Å; L474-A523 HydrophobicContact CD2-CB 3.7Å
475D78.6Confident77.6Confident105 Ų10569.3 Ų69.356%0.56135%0.347SS*.Hα-helixtrans-58-49.6178.7-17667.7000111.2V471 F473 F477 Y478 K479V471-D475 PolarHBondContact O-N 3.37Å; F473-D475 PolarHBondContact O-N 3.03Å; D475-F477 PolarHBondContact O-N 3.05Å; D475-Y478 PolarHBondContact O-N 2.83Å; D475-K479 WeakPolarHBondContact O-CB 3.48Å; D475-K479 PolarHBondContact O-N 2.87Å
476K86.7Confident79.2Confident107 Ų10769.1 Ų69.147%0.46534%0.341SS..Hα-helixtrans-65.7-41.5-179.3-176.6168.7168.4-167.70112.2E472 F473 L474 K479 L480 Y492E472-K476 WeakPolarHBondContact O-CB 3.41Å; E472-K476 PolarHBondContact O-N 2.92Å; E472-K476 VanDerWaalsContact O-N 3.11Å; F473-K476 PolarHBondContact O-N 3.06Å; L474-K476 PolarHBondContact O-N 2.99Å; K476-K479 PolarHBondContact O-N 2.83Å; K476-L480 HydrophobicContact CG-CD1 4.47Å; K476-L480 WeakPolarHBondContact O-CG 3.43Å; K476-L480 PolarHBondContact O-N 2.8Å; K476-Y492 HydrophobicContact CB-CE1 3.75Å; K476-Y492 HydrophobicContact CD-CD2 4.37Å; K476-Y492 HydrophobicContact CD-CE1 4.01Å; K476-Y492 HydrophobicContact CD-CE2 3.74Å; K476-Y492 HydrophobicContact CG-CD1 4.26Å; K476-Y492 HydrophobicContact CG-CE1 3.77Å; K476-Y492 HydrophobicContact CG-CE2 4.37Å
477F86.1Confident80.8Confident0 Ų073.5 Ų73.50%036%0.358CS..Hα-helixtrans-58.8-52.8177.3175.9-116.8000111.6F473 L474 D475 K479 L480 I481 A489 Y492 F493 A523 K526 A527 L530F473-F477 WeakPolarHBondContact O-CB 3.4Å; F473-F477 PolarHBondContact O-N 3.08Å; L474-F477 PolarHBondContact O-N 3.2Å; D475-F477 PolarHBondContact O-N 3.05Å; F477-K479 VanDerWaalsContact C-N 3.31Å; F477-K479 PolarHBondContact O-N 3.13Å; F477-L480 PolarHBondContact O-N 2.9Å; F477-I481 HydrophobicContact CD1-CD1 4.06Å; F477-I481 HydrophobicContact CD2-CD1 4.41Å; F477-I481 HydrophobicContact CE1-CD1 3.65Å; F477-I481 HydrophobicContact CE2-CD1 4.02Å; F477-I481 HydrophobicContact CG-CD1 4.44Å; F477-I481 HydrophobicContact CZ-CD1 3.65Å; F477-I481 WeakPolarHBondContact O-CG1 3.49Å; F477-I481 PolarHBondContact O-N 3.46Å; F477-A489 HydrophobicContact CD2-CB 4.21Å; F477-A489 WeakPolarHBondContact CD2-O 3.38Å; F477-A489 HydrophobicContact CE2-CB 4.14Å; F477-A489 WeakPolarHBondContact CE2-O 3.36Å; F477-Y492 HydrophobicContact CB-CD1 4.19Å; F477-Y492 HydrophobicContact CB-CE1 4.29Å; F477-F493 HydrophobicContact CD2-CB 3.99Å; F477-F493 HydrophobicContact CD2-CD2 4.3Å; F477-F493 HydrophobicContact CE1-CD2 4.35Å; F477-F493 HydrophobicContact CE2-CB 3.71Å; F477-F493 AromaticContact CE2-CD2 3.96Å; F477-F493 HydrophobicContact CE2-CD2 3.96Å; F477-F493 HydrophobicContact CE2-CG 4.17Å; F477-F493 HydrophobicContact CZ-CB 4.48Å; F477-F493 AromaticContact CZ-CD2 3.96Å; F477-F493 HydrophobicContact CZ-CD2 3.96Å; F477-F493 HydrophobicContact CZ-CG 4.48Å; F477-A523 HydrophobicContact CD1-CB 4.3Å; F477-A523 HydrophobicContact CE1-CB 4.15Å; F477-K526 HydrophobicContact CE1-CB 4.28Å; F477-K526 HydrophobicContact CE1-CG 4.35Å; F477-A527 HydrophobicContact CZ-CB 4.13Å; F477-L530 HydrophobicContact CZ-CD1 4.29Å
478Y82.9Confident82.3Confident91 Ų9176.4 Ų76.436%0.35737%0.369SS..Hα-helixtrans-68.8-28.8179.9-75.4-68.8000113.2L474 D475 I481 S482 K526L474-Y478 HydrophobicContact CD2-CE2 4.24Å; L474-Y478 VanDerWaalsContact O-CD2 3.23Å; L474-Y478 WeakPolarHBondContact O-CD2 3.38Å; L474-Y478 PolarHBondContact O-N 2.84Å; D475-Y478 PolarHBondContact O-N 2.83Å; Y478-I481 HydrophobicContact CD1-CD1 4.07Å; Y478-I481 HydrophobicContact CE1-CD1 4.42Å; Y478-I481 PolarHBondContact O-N 3.14Å; Y478-S482 PolarHBondContact O-N 3.31Å; Y478-S482 PolarHBondContact O-OG 2.76Å; Y478-K526 HydrophobicContact CE1-CG 4.3Å
479K81.9Confident83.2Confident108 Ų10872.5 Ų72.547%0.4735%0.348SS..Hα-helixtrans-69.2-32173.5-170.2175.4-169.7169.30113.3D475 K476 F477 S482 K483D475-K479 WeakPolarHBondContact O-CB 3.48Å; D475-K479 PolarHBondContact O-N 2.87Å; K476-K479 PolarHBondContact O-N 2.83Å; F477-K479 VanDerWaalsContact C-N 3.31Å; F477-K479 PolarHBondContact O-N 3.13Å; K479-S482 PolarHBondContact O-OG 2.81Å; K479-S482 VanDerWaalsContact O-OG 3.11Å; K479-K483 WeakPolarHBondContact O-CB 3.31Å; K479-K483 VanDerWaalsContact O-CG 3.3Å; K479-K483 WeakPolarHBondContact O-CG 3.47Å; K479-K483 PolarHBondContact O-N 3.15Å
480L82.9Confident83.9Confident17 Ų1769.6 Ų69.69%0.08933%0.333CS..Hα-helixtrans-69.4-41.3171.8-71.8168.7000110.9K476 F477 K483 H484 R485 E488 A489 Y492K476-L480 HydrophobicContact CG-CD1 4.47Å; K476-L480 WeakPolarHBondContact O-CG 3.43Å; K476-L480 PolarHBondContact O-N 2.8Å; F477-L480 PolarHBondContact O-N 2.9Å; L480-K483 PolarHBondContact O-N 3.14Å; L480-H484 PolarHBondContact O-N 2.9Å; L480-R485 HydrophobicContact CD2-CB 4.24Å; L480-R485 PolarHBondContact O-N 3.31Å; L480-E488 HydrophobicContact CD2-CB 4.43Å; L480-A489 HydrophobicContact CB-CB 3.76Å; L480-Y492 HydrophobicContact CD1-CD1 4.26Å; L480-Y492 HydrophobicContact CD1-CG 4.18Å
481I81Confident84.6Confident28 Ų2872.5 Ų72.514%0.14435%0.351CS..Hα-helixtrans-62-47.8176.4-63.5170.7000111F477 Y478 K483 H484 A489 K526 L530F477-I481 HydrophobicContact CD1-CD1 4.06Å; F477-I481 HydrophobicContact CD2-CD1 4.41Å; F477-I481 HydrophobicContact CE1-CD1 3.65Å; F477-I481 HydrophobicContact CE2-CD1 4.02Å; F477-I481 HydrophobicContact CG-CD1 4.44Å; F477-I481 HydrophobicContact CZ-CD1 3.65Å; F477-I481 WeakPolarHBondContact O-CG1 3.49Å; F477-I481 PolarHBondContact O-N 3.46Å; Y478-I481 HydrophobicContact CD1-CD1 4.07Å; Y478-I481 HydrophobicContact CE1-CD1 4.42Å; Y478-I481 PolarHBondContact O-N 3.14Å; I481-K483 PolarHBondContact O-N 2.86Å; I481-H484 PolarHBondContact O-N 3.21Å; I481-A489 HydrophobicContact CG1-CB 3.88Å; I481-K526 HydrophobicContact CD1-CG 4.02Å; I481-L530 HydrophobicContact CD1-CD1 3.71Å; I481-L530 HydrophobicContact CG1-CD1 3.83Å
482S75Confident85.6Confident86 Ų8670.1 Ų70.160%0.60133%0.333SS*.Hα-helixtrans-64.7-25.3-179.568.10000113.1Y478 K479 H484Y478-S482 PolarHBondContact O-N 3.31Å; Y478-S482 PolarHBondContact O-OG 2.76Å; K479-S482 PolarHBondContact O-OG 2.81Å; K479-S482 VanDerWaalsContact O-OG 3.11Å; S482-H484 VanDerWaalsContact C-N 3.29Å
483K83.5Confident86.1Confident126 Ų12664.5 Ų64.555%0.54831%0.307SS..THydrogen-bonded Turntrans-86.49.3172.5-69.6-178176.8-167.90113.9K479 L480 I481 R485K479-K483 WeakPolarHBondContact O-CB 3.31Å; K479-K483 VanDerWaalsContact O-CG 3.3Å; K479-K483 WeakPolarHBondContact O-CG 3.47Å; K479-K483 PolarHBondContact O-N 3.15Å; L480-K483 PolarHBondContact O-N 3.14Å; I481-K483 PolarHBondContact O-N 2.86Å; K483-R485 HydrophobicContact CB-CG 4.28Å; K483-R485 PolarHBondContact O-N 3.43Å; K483-R485 VanDerWaalsContact O-N 3.17Å
484H83.1Confident86.1Confident162 Ų16270.1 Ų70.175%0.7533%0.333SS*.THydrogen-bonded Turntrans58.221.1-176.3-65.3-75.8000115.1L480 I481 S482 L486L480-H484 PolarHBondContact O-N 2.9Å; I481-H484 PolarHBondContact O-N 3.21Å; S482-H484 VanDerWaalsContact C-N 3.29Å; H484-L486 VanDerWaalsContact C-N 3.3Å; H484-L486 PolarHBondContact O-N 3.46Å; H484-L486 VanDerWaalsContact O-N 3.13Å
485R87.9Confident86.4Confident113 Ų11374.4 Ų74.443%0.42636%0.356SS..  trans-89.762.7177.5-62.4174.775.3-17012.4110.4L480 K483 E488 A489L480-R485 HydrophobicContact CD2-CB 4.24Å; L480-R485 PolarHBondContact O-N 3.31Å; K483-R485 HydrophobicContact CB-CG 4.28Å; K483-R485 PolarHBondContact O-N 3.43Å; K483-R485 VanDerWaalsContact O-N 3.17Å; R485-E488 HydrophobicContact CB-CB 4.3Å; R485-E488 IonicContact CZ-OE1 3.56Å; R485-E488 IonicContact CZ-OE2 3.28Å; R485-E488 VanDerWaalsContact NE-CD 3.26Å; R485-E488 IonicContact NE-OE1 3.43Å; R485-E488 PolarHBondContact NE-OE1 2.8Å; R485-E488 IonicContact NE-OE2 2.57Å; R485-E488 PolarHBondContact NE-OE2 3.33Å; R485-E488 IonicContact NH1-OE2 3.25Å; R485-E488 IonicContact NH2-OE1 3.78Å; R485-E488 PolarHBondContact NH2-OE1 3.19Å; R485-E488 IonicContact NH2-OE2 2.69Å; R485-E488 PolarHBondContact NH2-OE2 3.13Å; R485-E488 PolarHBondContact O-N 2.89Å; R485-A489 PolarHBondContact O-N 3.31Å
486L87.4Confident87Confident53 Ų5373 Ų7328%0.27735%0.346SS..Hα-helixtrans-66.8-42.5-165.4-54.2-174.4000113.9H484 E488 A489 L490 L530 L534H484-L486 VanDerWaalsContact C-N 3.3Å; H484-L486 PolarHBondContact O-N 3.46Å; H484-L486 VanDerWaalsContact O-N 3.13Å; L486-E488 VanDerWaalsContact C-N 3.33Å; L486-E488 PolarHBondContact O-N 2.97Å; L486-A489 WeakPolarHBondContact O-CB 3.45Å; L486-A489 PolarHBondContact O-N 3.28Å; L486-L490 PolarHBondContact O-N 3.43Å; L486-L530 HydrophobicContact CD1-CD2 4.24Å; L486-L530 HydrophobicContact CD2-CD2 3.85Å; L486-L530 HydrophobicContact CG-CD2 4.43Å; L486-L534 HydrophobicContact CB-CD1 3.99Å
487Q88.3Confident87.1Confident118 Ų11869.2 Ų69.255%0.55133%0.33SS*.Hα-helixtrans-63.2-42.3178-169.765.220.100111.2A489 L490 T491Q487-A489 VanDerWaalsContact C-N 3.34Å; Q487-A489 PolarHBondContact O-N 2.9Å; Q487-L490 PolarHBondContact O-N 2.73Å; Q487-T491 PolarHBondContact O-N 2.7Å; Q487-T491 PolarHBondContact O-OG1 2.8Å
488E92Very high86.9Confident87 Ų8772.6 Ų72.641%0.40735%0.353SS..Hα-helixtrans-66-37175.9-64-174.3-127.400112.4L480 R485 L486 L490 T491 Y492L480-E488 HydrophobicContact CD2-CB 4.43Å; R485-E488 HydrophobicContact CB-CB 4.3Å; R485-E488 IonicContact CZ-OE1 3.56Å; R485-E488 IonicContact CZ-OE2 3.28Å; R485-E488 VanDerWaalsContact NE-CD 3.26Å; R485-E488 IonicContact NE-OE1 3.43Å; R485-E488 PolarHBondContact NE-OE1 2.8Å; R485-E488 IonicContact NE-OE2 2.57Å; R485-E488 PolarHBondContact NE-OE2 3.33Å; R485-E488 IonicContact NH1-OE2 3.25Å; R485-E488 IonicContact NH2-OE1 3.78Å; R485-E488 PolarHBondContact NH2-OE1 3.19Å; R485-E488 IonicContact NH2-OE2 2.69Å; R485-E488 PolarHBondContact NH2-OE2 3.13Å; R485-E488 PolarHBondContact O-N 2.89Å; L486-E488 VanDerWaalsContact C-N 3.33Å; L486-E488 PolarHBondContact O-N 2.97Å; E488-L490 VanDerWaalsContact C-N 3.33Å; E488-T491 PolarHBondContact O-N 3.14Å; E488-Y492 WeakPolarHBondContact O-CB 3.44Å; E488-Y492 PolarHBondContact O-N 2.69Å
489A88.8Confident87Confident0 Ų071.1 Ų71.10%036%0.356CS..Hα-helixtrans-60.9-43.2173.500000111.2F477 L480 I481 R485 L486 Q487 Y492 F493F477-A489 HydrophobicContact CD2-CB 4.21Å; F477-A489 WeakPolarHBondContact CD2-O 3.38Å; F477-A489 HydrophobicContact CE2-CB 4.14Å; F477-A489 WeakPolarHBondContact CE2-O 3.36Å; L480-A489 HydrophobicContact CB-CB 3.76Å; I481-A489 HydrophobicContact CG1-CB 3.88Å; R485-A489 PolarHBondContact O-N 3.31Å; L486-A489 WeakPolarHBondContact O-CB 3.45Å; L486-A489 PolarHBondContact O-N 3.28Å; Q487-A489 VanDerWaalsContact C-N 3.34Å; Q487-A489 PolarHBondContact O-N 2.9Å; A489-Y492 PolarHBondContact O-N 3.33Å; A489-F493 WeakPolarHBondContact O-CB 3.39Å; A489-F493 PolarHBondContact O-N 3.25Å
490L90.7Very high87.2Confident13 Ų1366.1 Ų66.17%0.06833%0.334CS..Hα-helixtrans-65-46.2176.1-77.6-176.3000112.7L486 Q487 E488 Y492 F493 Q494 A527 L530 K531 L534L486-L490 PolarHBondContact O-N 3.43Å; Q487-L490 PolarHBondContact O-N 2.73Å; E488-L490 VanDerWaalsContact C-N 3.33Å; L490-Y492 VanDerWaalsContact C-N 3.32Å; L490-Y492 PolarHBondContact O-N 2.88Å; L490-F493 PolarHBondContact O-N 3.34Å; L490-Q494 WeakPolarHBondContact O-CB 3.28Å; L490-Q494 VanDerWaalsContact O-CG 3.3Å; L490-Q494 WeakPolarHBondContact O-CG 3.28Å; L490-Q494 PolarHBondContact O-N 2.78Å; L490-A527 HydrophobicContact CD2-CB 4.13Å; L490-A527 VanDerWaalsContact CD2-O 3.28Å; L490-A527 WeakPolarHBondContact CD2-O 3.49Å; L490-L530 HydrophobicContact CD1-CB 4.43Å; L490-L530 HydrophobicContact CD2-CB 3.81Å; L490-L530 HydrophobicContact CG-CB 4.14Å; L490-K531 HydrophobicContact CD1-CB 4.16Å; L490-K531 HydrophobicContact CD2-CB 4.32Å; L490-L534 HydrophobicContact CD1-CD1 3.41Å; L490-L534 VanDerWaalsContact CD1-CD1 3.41Å; L490-L534 HydrophobicContact CG-CD1 4.27Å
491T90.8Very high87.1Confident60 Ų6067.7 Ų67.737%0.36834%0.342SS..Hα-helixtrans-61.6-42.4176.9-58.50000111.2Q487 E488 Q494 N495Q487-T491 PolarHBondContact O-N 2.7Å; Q487-T491 PolarHBondContact O-OG1 2.8Å; E488-T491 PolarHBondContact O-N 3.14Å; T491-Q494 PolarHBondContact O-N 3.48Å; T491-N495 VanDerWaalsContact O-CG 3.29Å; T491-N495 PolarHBondContact O-N 3.31Å; T491-N495 PolarHBondContact O-ND2 2.92Å
492Y93.6Very high87.2Confident36 Ų3672.3 Ų72.314%0.14136%0.361CS..Hα-helixtrans-62.4-44.1175.9-177.6-111.6000111.8F473 K476 F477 L480 E488 A489 L490 N495 E496F473-Y492 HydrophobicContact CD2-CD1 4.43Å; F473-Y492 AromaticContact CD2-CE1 3.7Å; F473-Y492 HydrophobicContact CD2-CE1 3.7Å; F473-Y492 HydrophobicContact CE2-CD1 4.42Å; F473-Y492 HydrophobicContact CE2-CE1 4.13Å; K476-Y492 HydrophobicContact CB-CE1 3.75Å; K476-Y492 HydrophobicContact CD-CD2 4.37Å; K476-Y492 HydrophobicContact CD-CE1 4.01Å; K476-Y492 HydrophobicContact CD-CE2 3.74Å; K476-Y492 HydrophobicContact CG-CD1 4.26Å; K476-Y492 HydrophobicContact CG-CE1 3.77Å; K476-Y492 HydrophobicContact CG-CE2 4.37Å; F477-Y492 HydrophobicContact CB-CD1 4.19Å; F477-Y492 HydrophobicContact CB-CE1 4.29Å; L480-Y492 HydrophobicContact CD1-CD1 4.26Å; L480-Y492 HydrophobicContact CD1-CG 4.18Å; E488-Y492 WeakPolarHBondContact O-CB 3.44Å; E488-Y492 PolarHBondContact O-N 2.69Å; A489-Y492 PolarHBondContact O-N 3.33Å; L490-Y492 VanDerWaalsContact C-N 3.32Å; L490-Y492 PolarHBondContact O-N 2.88Å; Y492-N495 PolarHBondContact O-N 3.34Å; Y492-E496 HydrophobicContact CD2-CG 3.9Å; Y492-E496 HydrophobicContact CE2-CG 3.48Å; Y492-E496 VanDerWaalsContact CE2-CG 3.48Å; Y492-E496 WeakPolarHBondContact O-CG 3.26Å; Y492-E496 PolarHBondContact O-N 3.19Å
493F93.3Very high87.6Confident21 Ų2170.5 Ų70.59%0.09234%0.343CS..Hα-helixtrans-58.8-49.3175-177.3-86.7000111.9F473 F477 A489 L490 N495 E496 F497 A523 M524 A527F473-F493 HydrophobicContact CE2-CD2 4.46Å; F473-F493 AromaticContact CZ-CD2 3.66Å; F473-F493 HydrophobicContact CZ-CD2 3.66Å; F473-F493 HydrophobicContact CZ-CE2 4Å; F473-F493 HydrophobicContact CZ-CG 4.47Å; F477-F493 HydrophobicContact CD2-CB 3.99Å; F477-F493 HydrophobicContact CD2-CD2 4.3Å; F477-F493 HydrophobicContact CE1-CD2 4.35Å; F477-F493 HydrophobicContact CE2-CB 3.71Å; F477-F493 AromaticContact CE2-CD2 3.96Å; F477-F493 HydrophobicContact CE2-CD2 3.96Å; F477-F493 HydrophobicContact CE2-CG 4.17Å; F477-F493 HydrophobicContact CZ-CB 4.48Å; F477-F493 AromaticContact CZ-CD2 3.96Å; F477-F493 HydrophobicContact CZ-CD2 3.96Å; F477-F493 HydrophobicContact CZ-CG 4.48Å; A489-F493 WeakPolarHBondContact O-CB 3.39Å; A489-F493 PolarHBondContact O-N 3.25Å; L490-F493 PolarHBondContact O-N 3.34Å; F493-N495 VanDerWaalsContact C-N 3.28Å; F493-N495 PolarHBondContact O-N 3.18Å; F493-E496 PolarHBondContact O-N 3Å; F493-F497 HydrophobicContact CD1-CB 4.4Å; F493-F497 HydrophobicContact CD2-CD2 4.32Å; F493-F497 HydrophobicContact CE1-CB 4.07Å; F493-F497 HydrophobicContact CE1-CD1 4.43Å; F493-F497 HydrophobicContact CE1-CD2 4.2Å; F493-F497 AromaticContact CE1-CG 3.99Å; F493-F497 HydrophobicContact CE1-CG 3.99Å; F493-F497 HydrophobicContact CE2-CB 4.26Å; F493-F497 AromaticContact CE2-CD2 3.37Å; F493-F497 HydrophobicContact CE2-CD2 3.37Å; F493-F497 AromaticContact CE2-CE2 3.87Å; F493-F497 HydrophobicContact CE2-CE2 3.87Å; F493-F497 AromaticContact CE2-CG 3.97Å; F493-F497 HydrophobicContact CE2-CG 3.97Å; F493-F497 HydrophobicContact CZ-CB 3.97Å; F493-F497 HydrophobicContact CZ-CD1 4.1Å; F493-F497 AromaticContact CZ-CD2 3.28Å; F493-F497 HydrophobicContact CZ-CD2 3.28Å; F493-F497 HydrophobicContact CZ-CE1 4.42Å; F493-F497 AromaticContact CZ-CE2 3.67Å; F493-F497 HydrophobicContact CZ-CE2 3.67Å; F493-F497 AromaticContact CZ-CG 3.51Å; F493-F497 HydrophobicContact CZ-CG 3.51Å; F493-F497 HydrophobicContact CZ-CZ 4.23Å; F493-F497 WeakPolarHBondContact O-CB 3.22Å; F493-F497 PolarHBondContact O-N 3Å; F493-A523 HydrophobicContact CE2-CB 3.95Å; F493-A523 WeakPolarHBondContact CE2-O 3.23Å; F493-M524 VanDerWaalsContact CZ-CA 3.46Å; F493-M524 HydrophobicContact CZ-CB 3.93Å; F493-M524 HydrophobicContact CZ-CG 4.25Å; F493-A527 HydrophobicContact CB-CB 4.39Å; F493-A527 HydrophobicContact CD1-CB 3.52Å; F493-A527 HydrophobicContact CD2-CB 3.82Å; F493-A527 HydrophobicContact CE1-CB 3.69Å; F493-A527 HydrophobicContact CE2-CB 3.98Å; F493-A527 HydrophobicContact CG-CB 3.62Å; F493-A527 HydrophobicContact CZ-CB 3.93Å
494Q88.9Confident87.2Confident121 Ų12164.5 Ų64.557%0.56532%0.317SS*.Hα-helixtrans-59.4-35.8-178.3-75.7173.2-25.700113.3L490 T491L490-Q494 WeakPolarHBondContact O-CB 3.28Å; L490-Q494 VanDerWaalsContact O-CG 3.3Å; L490-Q494 WeakPolarHBondContact O-CG 3.28Å; L490-Q494 PolarHBondContact O-N 2.78Å; T491-Q494 PolarHBondContact O-N 3.48Å
495N90.6Very high87.1Confident110 Ų11061.3 Ų61.359%0.58830%0.302SS*.Hα-helixtrans-80.6-37.8-176.8-67.9-15000112.9T491 Y492 F493T491-N495 VanDerWaalsContact O-CG 3.29Å; T491-N495 PolarHBondContact O-N 3.31Å; T491-N495 PolarHBondContact O-ND2 2.92Å; Y492-N495 PolarHBondContact O-N 3.34Å; F493-N495 VanDerWaalsContact C-N 3.28Å; F493-N495 PolarHBondContact O-N 3.18Å
496E91.2Very high86.8Confident77 Ų7761.3 Ų61.336%0.3631%0.311SS..Hα-helixtrans-101.7-23.4-167.3-58.2-58.6146.600114F473 Y492 F493 S498 C499 C500F473-E496 HydrophobicContact CD2-CB 3.56Å; F473-E496 HydrophobicContact CD2-CG 4.42Å; F473-E496 HydrophobicContact CE2-CB 3.75Å; Y492-E496 HydrophobicContact CD2-CG 3.9Å; Y492-E496 HydrophobicContact CE2-CG 3.48Å; Y492-E496 VanDerWaalsContact CE2-CG 3.48Å; Y492-E496 WeakPolarHBondContact O-CG 3.26Å; Y492-E496 PolarHBondContact O-N 3.19Å; F493-E496 PolarHBondContact O-N 3Å; E496-S498 VanDerWaalsContact C-N 3.35Å; E496-S498 PolarHBondContact O-N 3.05Å; E496-C499 PolarHBondContact O-N 3.31Å; E496-C499 VanDerWaalsContact O-N 3.12Å; E496-C500 PolarHBondContact O-N 3Å; E496-C500 VanDerWaalsContact O-N 3.08Å; E496-C500 PolarHBondContact O-SG 3.01Å; E496-C500 VanDerWaalsContact O-SG 3.38Å
497F89.3Confident86.1Confident27 Ų2759.4 Ų59.412%0.11830%0.301CS..Hα-helixtrans-59.2-42-170.7-177-100.7000113.1F473 F493 C499 C500 L501 L520 M524F473-F497 HydrophobicContact CE1-CD2 4.17Å; F473-F497 HydrophobicContact CZ-CB 4.25Å; F473-F497 HydrophobicContact CZ-CD2 4.07Å; F493-F497 HydrophobicContact CD1-CB 4.4Å; F493-F497 HydrophobicContact CD2-CD2 4.32Å; F493-F497 HydrophobicContact CE1-CB 4.07Å; F493-F497 HydrophobicContact CE1-CD1 4.43Å; F493-F497 HydrophobicContact CE1-CD2 4.2Å; F493-F497 AromaticContact CE1-CG 3.99Å; F493-F497 HydrophobicContact CE1-CG 3.99Å; F493-F497 HydrophobicContact CE2-CB 4.26Å; F493-F497 AromaticContact CE2-CD2 3.37Å; F493-F497 HydrophobicContact CE2-CD2 3.37Å; F493-F497 AromaticContact CE2-CE2 3.87Å; F493-F497 HydrophobicContact CE2-CE2 3.87Å; F493-F497 AromaticContact CE2-CG 3.97Å; F493-F497 HydrophobicContact CE2-CG 3.97Å; F493-F497 HydrophobicContact CZ-CB 3.97Å; F493-F497 HydrophobicContact CZ-CD1 4.1Å; F493-F497 AromaticContact CZ-CD2 3.28Å; F493-F497 HydrophobicContact CZ-CD2 3.28Å; F493-F497 HydrophobicContact CZ-CE1 4.42Å; F493-F497 AromaticContact CZ-CE2 3.67Å; F493-F497 HydrophobicContact CZ-CE2 3.67Å; F493-F497 AromaticContact CZ-CG 3.51Å; F493-F497 HydrophobicContact CZ-CG 3.51Å; F493-F497 HydrophobicContact CZ-CZ 4.23Å; F493-F497 WeakPolarHBondContact O-CB 3.22Å; F493-F497 PolarHBondContact O-N 3Å; F497-C499 VanDerWaalsContact C-N 3.31Å; F497-C499 PolarHBondContact O-N 2.72Å; F497-C500 PolarHBondContact O-N 3.03Å; F497-L501 WeakPolarHBondContact O-CB 3.38Å; F497-L501 PolarHBondContact O-N 2.83Å; F497-L520 HydrophobicContact CD2-CD2 3.99Å; F497-L520 HydrophobicContact CE2-CB 3.91Å; F497-L520 HydrophobicContact CE2-CD2 3.79Å; F497-L520 HydrophobicContact CE2-CG 4.42Å; F497-L520 WeakPolarHBondContact CE2-O 3.48Å; F497-L520 HydrophobicContact CZ-CB 4.33Å; F497-M524 HydrophobicContact CE1-SD 4.23Å; F497-M524 HydrophobicContact CE2-CB 4.23Å; F497-M524 HydrophobicContact CZ-CB 4Å; F497-M524 HydrophobicContact CZ-CG 4.41Å; F497-M524 HydrophobicContact CZ-SD 4.14Å
498S81.5Confident85.4Confident70 Ų7059.4 Ų59.449%0.4931%0.314SS..Hα-helixtrans-63.1-36.6179.4-176.20000112.6E496 K502E496-S498 VanDerWaalsContact C-N 3.35Å; E496-S498 PolarHBondContact O-N 3.05Å; S498-K502 PolarHBondContact O-N 2.88Å
499C85.6Confident84.7Confident61 Ų6159.4 Ų59.441%0.41232%0.317SS..Hα-helixtrans-67.7-45.2175.3-177.40000110.7E496 F497 L501 K502 E503E496-C499 PolarHBondContact O-N 3.31Å; E496-C499 VanDerWaalsContact O-N 3.12Å; F497-C499 VanDerWaalsContact C-N 3.31Å; F497-C499 PolarHBondContact O-N 2.72Å; C499-L501 VanDerWaalsContact C-N 3.3Å; C499-L501 PolarHBondContact O-N 2.82Å; C499-K502 PolarHBondContact O-N 3.31Å; C499-E503 PolarHBondContact O-N 3.03Å
500C85.5Confident83.6Confident2 Ų263.6 Ų63.61%0.01435%0.347CS..Hα-helixtrans-62.7-35.8177.8-63.20000112.8V470 F473 E496 F497 E503 A504 L520V470-C500 HydrophobicContact CG2-CB 4.2Å; F473-C500 WeakPolarHBondContact CB-SG 3.44Å; F473-C500 HydrophobicContact CD1-CB 4.32Å; F473-C500 WeakPolarHBondContact CG-SG 3.43Å; E496-C500 PolarHBondContact O-N 3Å; E496-C500 VanDerWaalsContact O-N 3.08Å; E496-C500 PolarHBondContact O-SG 3.01Å; E496-C500 VanDerWaalsContact O-SG 3.38Å; F497-C500 PolarHBondContact O-N 3.03Å; C500-E503 PolarHBondContact O-N 3.3Å; C500-A504 WeakPolarHBondContact O-CB 3.39Å; C500-A504 PolarHBondContact O-N 3.32Å; C500-L520 HydrophobicContact CB-CD2 3.86Å
501L81.8Confident82.1Confident50 Ų5070.9 Ų70.926%0.26238%0.378SS..Hα-helixtrans-63.8-42.9175.7-167.271.7000111.7F497 C499 A504 Q505 F517 L520F497-L501 WeakPolarHBondContact O-CB 3.38Å; F497-L501 PolarHBondContact O-N 2.83Å; C499-L501 VanDerWaalsContact C-N 3.3Å; C499-L501 PolarHBondContact O-N 2.82Å; L501-A504 PolarHBondContact O-N 3.41Å; L501-Q505 WeakPolarHBondContact O-CG 3.49Å; L501-Q505 PolarHBondContact O-N 2.72Å; L501-F517 HydrophobicContact CD1-CD1 4.02Å; L501-F517 HydrophobicContact CD1-CE1 3.68Å; L501-F517 HydrophobicContact CG-CE1 4.48Å; L501-L520 HydrophobicContact CD1-CD1 4.25Å
502K81.8Confident80.8Confident125 Ų12569.2 Ų69.254%0.54337%0.368SS..Hα-helixtrans-65.5-40.8175.4-71.3177.9-178.71790112.1S498 C499 Q505 N506S498-K502 PolarHBondContact O-N 2.88Å; C499-K502 PolarHBondContact O-N 3.31Å; K502-Q505 WeakPolarHBondContact O-CB 3.48Å; K502-Q505 PolarHBondContact O-N 3.43Å; K502-N506 WeakPolarHBondContact O-CB 3.46Å; K502-N506 VanDerWaalsContact O-CG 3.23Å; K502-N506 PolarHBondContact O-N 3.44Å; K502-N506 PolarHBondContact O-ND2 2.81Å
503E83.1Confident79.8Confident48 Ų4871.9 Ų71.922%0.22438%0.378CS..Hα-helixtrans-63.6-42.9175.3-73.4-58.1143.500111.7S466 I469 V470 C499 C500 Q505 N506 D507S466-E503 VanDerWaalsContact CB-O 3.28Å; S466-E503 WeakPolarHBondContact CB-O 3.43Å; S466-E503 VanDerWaalsContact CB-OE2 3.28Å; S466-E503 WeakPolarHBondContact CB-OE2 3.38Å; S466-E503 PolarHBondContact OG-OE2 3.13Å; I469-E503 HydrophobicContact CB-CG 4.46Å; I469-E503 HydrophobicContact CD1-CG 3.9Å; I469-E503 HydrophobicContact CG2-CG 4.3Å; V470-E503 HydrophobicContact CG2-CB 4.4Å; C499-E503 PolarHBondContact O-N 3.03Å; C500-E503 PolarHBondContact O-N 3.3Å; E503-Q505 PolarHBondContact O-N 2.8Å; E503-N506 PolarHBondContact O-N 3.27Å; E503-D507 PolarHBondContact O-N 3.26Å; E503-D507 VanDerWaalsContact O-N 3.14Å
504A76.6Confident78.4Confident0 Ų074.8 Ų74.80%040%0.401CS..Hα-helixtrans-61.1-44173.900000111.8V470 C500 L501 N506 D507 R513 L516 L520V470-A504 HydrophobicContact CG2-CB 4.46Å; C500-A504 WeakPolarHBondContact O-CB 3.39Å; C500-A504 PolarHBondContact O-N 3.32Å; L501-A504 PolarHBondContact O-N 3.41Å; A504-N506 VanDerWaalsContact C-N 3.27Å; A504-N506 PolarHBondContact O-N 3.07Å; A504-D507 WeakPolarHBondContact O-CB 3.28Å; A504-D507 PolarHBondContact O-N 3.08Å; A504-R513 WeakPolarHBondContact O-CG 3.39Å; A504-L516 HydrophobicContact CB-CB 3.82Å; A504-L516 HydrophobicContact CB-CD1 4.2Å; A504-L520 HydrophobicContact CB-CD1 3.74Å
505Q80.5Confident77.2Confident95 Ų9573.5 Ų73.544%0.44440%0.397SS..Hα-helixtrans-57-40174.8-78.1171.9-16.300112.5L501 K502 E503 D507 R513 F517L501-Q505 WeakPolarHBondContact O-CG 3.49Å; L501-Q505 PolarHBondContact O-N 2.72Å; K502-Q505 WeakPolarHBondContact O-CB 3.48Å; K502-Q505 PolarHBondContact O-N 3.43Å; E503-Q505 PolarHBondContact O-N 2.8Å; Q505-D507 VanDerWaalsContact C-N 3.33Å; Q505-R513 PolarHBondContact O-NE 3.32Å; Q505-F517 HydrophobicContact CB-CZ 4.43Å; Q505-F517 HydrophobicContact CG-CE1 4.17Å; Q505-F517 HydrophobicContact CG-CZ 3.52Å
506N81.5Confident76.3Confident113 Ų11368.9 Ų68.960%0.60437%0.372SS*.Hα-helixtrans-81.9-6.2-177.8-68.2-25.4000114K502 E503 A504 S508K502-N506 WeakPolarHBondContact O-CB 3.46Å; K502-N506 VanDerWaalsContact O-CG 3.23Å; K502-N506 PolarHBondContact O-N 3.44Å; K502-N506 PolarHBondContact O-ND2 2.81Å; E503-N506 PolarHBondContact O-N 3.27Å; A504-N506 VanDerWaalsContact C-N 3.27Å; A504-N506 PolarHBondContact O-N 3.07Å; N506-S508 PolarHBondContact O-N 3.16Å; N506-S508 VanDerWaalsContact O-N 3.16Å
507D73.1Confident75.5Confident13 Ų1367.5 Ų67.57%0.0737%0.365CS..  trans-63.3118.1177.2-168.1-49.7000109.5S467 E503 A504 Q505 N509 S512 R513 L516S467-D507 PolarHBondContact OG-OD2 2.7Å; S467-D507 VanDerWaalsContact OG-OD2 3.07Å; E503-D507 PolarHBondContact O-N 3.26Å; E503-D507 VanDerWaalsContact O-N 3.14Å; A504-D507 WeakPolarHBondContact O-CB 3.28Å; A504-D507 PolarHBondContact O-N 3.08Å; Q505-D507 VanDerWaalsContact C-N 3.33Å; D507-N509 PolarHBondContact O-N 2.84Å; D507-N509 WeakPolarHBondContact OD1-CB 3.44Å; D507-N509 PolarHBondContact OD1-N 3.11Å; D507-S512 WeakPolarHBondContact OD1-CB 3.3Å; D507-S512 PolarHBondContact OD2-OG 3.34Å; D507-R513 HydrophobicContact CB-CB 4.38Å; D507-R513 VanDerWaalsContact O-CZ 3.22Å; D507-R513 PolarHBondContact O-NE 3.03Å; D507-R513 PolarHBondContact O-NH2 3.13Å; D507-L516 HydrophobicContact CB-CD1 4.08Å; D507-L516 WeakPolarHBondContact OD2-CD1 3.4Å
508S73.3Confident74.5Confident119 Ų11970.2 Ų70.283%0.83238%0.377SS*.SBendtrans-69-15-174.957.30000113.6N506N506-S508 PolarHBondContact O-N 3.16Å; N506-S508 VanDerWaalsContact O-N 3.16Å
509N76.5Confident74.3Confident87 Ų8768.8 Ų68.847%0.46536%0.362SS..  trans-96.7115179.7-179.2-36.2000110.7D507 K511 S512 R513D507-N509 PolarHBondContact O-N 2.84Å; D507-N509 WeakPolarHBondContact OD1-CB 3.44Å; D507-N509 PolarHBondContact OD1-N 3.11Å; N509-K511 VanDerWaalsContact C-N 3.33Å; N509-K511 PolarHBondContact O-N 3.23Å; N509-K511 WeakPolarHBondContact OD1-CB 3.33Å; N509-K511 PolarHBondContact OD1-N 2.81Å; N509-S512 WeakPolarHBondContact O-CB 3.36Å; N509-S512 PolarHBondContact O-N 3.41Å; N509-S512 VanDerWaalsContact O-N 3.15Å; N509-S512 PolarHBondContact OD1-N 2.81Å; N509-R513 VanDerWaalsContact O-CB 3.31Å; N509-R513 WeakPolarHBondContact O-CB 3.42Å; N509-R513 PolarHBondContact O-N 2.83Å
510S65.4Low74Confident88 Ų8865.9 Ų65.962%0.61534%0.343SS*.Hα-helixtrans-59.7-37.1-177.460.10000114.2S514S510-S514 WeakPolarHBondContact O-CB 3.4Å; S510-S514 PolarHBondContact O-N 2.93Å
511K61.1Low73.5Confident166 Ų16669.4 Ų69.472%0.72236%0.361SS*.Hα-helixtrans-69.6-42.3176.1-70.2-178.1179.31770111.4N509 S514 I515N509-K511 VanDerWaalsContact C-N 3.33Å; N509-K511 PolarHBondContact O-N 3.23Å; N509-K511 WeakPolarHBondContact OD1-CB 3.33Å; N509-K511 PolarHBondContact OD1-N 2.81Å; K511-S514 PolarHBondContact O-N 3.49Å; K511-I515 VanDerWaalsContact O-CG1 3.32Å; K511-I515 WeakPolarHBondContact O-CG1 3.45Å; K511-I515 PolarHBondContact O-N 2.75Å; K511-I515 VanDerWaalsContact O-N 3.16Å
512S62.2Low73.1Confident25 Ų2569.8 Ų69.818%0.17536%0.363CS..Hα-helixtrans-59.6-53.2174.5-173.20000110.1S467 D507 N509 S514 I515 L516S467-S512 PolarHBondContact OG-OG 2.93Å; S467-S512 VanDerWaalsContact OG-OG 3.07Å; D507-S512 WeakPolarHBondContact OD1-CB 3.3Å; D507-S512 PolarHBondContact OD2-OG 3.34Å; N509-S512 WeakPolarHBondContact O-CB 3.36Å; N509-S512 PolarHBondContact O-N 3.41Å; N509-S512 VanDerWaalsContact O-N 3.15Å; N509-S512 PolarHBondContact OD1-N 2.81Å; S512-S514 VanDerWaalsContact C-N 3.35Å; S512-S514 PolarHBondContact O-N 3.42Å; S512-I515 WeakPolarHBondContact O-CB 3.27Å; S512-I515 PolarHBondContact O-N 3.02Å; S512-L516 WeakPolarHBondContact O-CG 3.49Å; S512-L516 PolarHBondContact O-N 3.22Å
513R73.2Confident73Confident92 Ų9263.8 Ų63.835%0.34734%0.338SS..Hα-helixtrans-50.5-49.6176.5-174.5-178.5-47.4163.61.8112.5A504 Q505 D507 N509 I515 L516 F517A504-R513 WeakPolarHBondContact O-CG 3.39Å; Q505-R513 PolarHBondContact O-NE 3.32Å; D507-R513 HydrophobicContact CB-CB 4.38Å; D507-R513 VanDerWaalsContact O-CZ 3.22Å; D507-R513 PolarHBondContact O-NE 3.03Å; D507-R513 PolarHBondContact O-NH2 3.13Å; N509-R513 VanDerWaalsContact O-CB 3.31Å; N509-R513 WeakPolarHBondContact O-CB 3.42Å; N509-R513 PolarHBondContact O-N 2.83Å; R513-I515 PolarHBondContact O-N 3.2Å; R513-L516 PolarHBondContact O-N 3.46Å; R513-F517 HydrophobicContact CG-CD2 3.71Å; R513-F517 HydrophobicContact CG-CE2 3.45Å; R513-F517 VanDerWaalsContact CG-CE2 3.45Å; R513-F517 WeakPolarHBondContact O-CD2 3.43Å; R513-F517 PolarHBondContact O-N 3.49Å
514S62.6Low73Confident82 Ų8264.6 Ų64.657%0.57334%0.342SS*.Hα-helixtrans-59.4-42.4177.4-177.30000112.8S510 K511 S512 K518S510-S514 WeakPolarHBondContact O-CB 3.4Å; S510-S514 PolarHBondContact O-N 2.93Å; K511-S514 PolarHBondContact O-N 3.49Å; S512-S514 VanDerWaalsContact C-N 3.35Å; S512-S514 PolarHBondContact O-N 3.42Å; S514-K518 WeakPolarHBondContact O-CB 3.4Å; S514-K518 PolarHBondContact O-N 3.46Å; S514-K518 VanDerWaalsContact O-N 3.11Å
515I64.9Low73Confident94 Ų9468.4 Ų68.448%0.48236%0.363SS..Hα-helixtrans-65.6-45.6176.2-66.4166.1000110.7K511 S512 R513 F517 K518 E519K511-I515 VanDerWaalsContact O-CG1 3.32Å; K511-I515 WeakPolarHBondContact O-CG1 3.45Å; K511-I515 PolarHBondContact O-N 2.75Å; K511-I515 VanDerWaalsContact O-N 3.16Å; S512-I515 WeakPolarHBondContact O-CB 3.27Å; S512-I515 PolarHBondContact O-N 3.02Å; R513-I515 PolarHBondContact O-N 3.2Å; I515-F517 PolarHBondContact O-N 2.98Å; I515-K518 WeakPolarHBondContact O-CB 3.45Å; I515-K518 PolarHBondContact O-N 3.34Å; I515-E519 WeakPolarHBondContact O-CG 3.42Å; I515-E519 PolarHBondContact O-N 3.42Å
516L71.9Confident73Confident12 Ų1267.4 Ų67.46%0.06336%0.357CS..Hα-helixtrans-59.9-46.3179.5-66.5177.4000111.4V470 A504 D507 S512 R513 K518 E519 L520V470-L516 HydrophobicContact CB-CD2 3.91Å; V470-L516 HydrophobicContact CG1-CD2 3.86Å; V470-L516 HydrophobicContact CG2-CD2 4.35Å; A504-L516 HydrophobicContact CB-CB 3.82Å; A504-L516 HydrophobicContact CB-CD1 4.2Å; D507-L516 HydrophobicContact CB-CD1 4.08Å; D507-L516 WeakPolarHBondContact OD2-CD1 3.4Å; S512-L516 WeakPolarHBondContact O-CG 3.49Å; S512-L516 PolarHBondContact O-N 3.22Å; R513-L516 PolarHBondContact O-N 3.46Å; L516-K518 VanDerWaalsContact C-N 3.34Å; L516-K518 PolarHBondContact O-N 2.98Å; L516-E519 PolarHBondContact O-N 3.35Å; L516-L520 WeakPolarHBondContact O-CB 3.41Å; L516-L520 WeakPolarHBondContact O-CG 3.37Å; L516-L520 PolarHBondContact O-N 3.14Å
517F73Confident73Confident49 Ų4962.3 Ų62.322%0.21533%0.33CS..Hα-helixtrans-61-41.3176-82.9-64.1000112.7L501 Q505 R513 I515 E519 L520 N521L501-F517 HydrophobicContact CD1-CD1 4.02Å; L501-F517 HydrophobicContact CD1-CE1 3.68Å; L501-F517 HydrophobicContact CG-CE1 4.48Å; Q505-F517 HydrophobicContact CB-CZ 4.43Å; Q505-F517 HydrophobicContact CG-CE1 4.17Å; Q505-F517 HydrophobicContact CG-CZ 3.52Å; R513-F517 HydrophobicContact CG-CD2 3.71Å; R513-F517 HydrophobicContact CG-CE2 3.45Å; R513-F517 VanDerWaalsContact CG-CE2 3.45Å; R513-F517 WeakPolarHBondContact O-CD2 3.43Å; R513-F517 PolarHBondContact O-N 3.49Å; I515-F517 PolarHBondContact O-N 2.98Å; F517-E519 VanDerWaalsContact C-N 3.34Å; F517-E519 PolarHBondContact O-N 3.01Å; F517-L520 PolarHBondContact O-N 3.43Å; F517-N521 PolarHBondContact O-ND2 3.37Å; F517-N521 PolarHBondContact O-N 2.9Å; F517-N521 WeakPolarHBondContact O-CB 3.41Å
518K69.8Low73.2Confident83 Ų8367.6 Ų67.636%0.36135%0.354SS..Hα-helixtrans-60.1-44.2176.9-176.6-179.6179.3177.60112T453 S514 I515 L516 L522T453-K518 PolarHBondContact OG1-NZ 3.31Å; S514-K518 WeakPolarHBondContact O-CB 3.4Å; S514-K518 PolarHBondContact O-N 3.46Å; S514-K518 VanDerWaalsContact O-N 3.11Å; I515-K518 WeakPolarHBondContact O-CB 3.45Å; I515-K518 PolarHBondContact O-N 3.34Å; L516-K518 VanDerWaalsContact C-N 3.34Å; L516-K518 PolarHBondContact O-N 2.98Å; K518-L522 WeakPolarHBondContact O-CG 3.44Å; K518-L522 PolarHBondContact O-N 3.05Å
519E76.3Confident73.3Confident40 Ų4065.2 Ų65.219%0.18733%0.33CS..Hα-helixtrans-71.5-37.5179.6-62.6-68.5157.100112.2K454 L474 I515 L516 F517 L522 A523K454-E519 WeakPolarHBondContact CE-OE1 3.32Å; K454-E519 IonicContact NZ-OE1 3.14Å; K454-E519 PolarHBondContact NZ-OE1 3.06Å; K454-E519 IonicContact NZ-OE2 3.82Å; L474-E519 HydrophobicContact CD1-CB 3.68Å; I515-E519 WeakPolarHBondContact O-CG 3.42Å; I515-E519 PolarHBondContact O-N 3.42Å; L516-E519 PolarHBondContact O-N 3.35Å; F517-E519 VanDerWaalsContact C-N 3.34Å; F517-E519 PolarHBondContact O-N 3.01Å; E519-L522 PolarHBondContact O-N 2.76Å; E519-A523 PolarHBondContact O-N 3.33Å
520L80Confident73.6Confident0 Ų061.6 Ų61.60%031%0.311CS..Hα-helixtrans-63.6-42.7174.4-76.1171.9000112V470 F473 F497 C500 L501 A504 L516 F517 L522 A523 M524V470-L520 HydrophobicContact CG1-CD1 4.28Å; V470-L520 HydrophobicContact CG1-CD2 4.02Å; V470-L520 HydrophobicContact CG1-CG 3.99Å; F473-L520 HydrophobicContact CD1-CD2 4.13Å; F473-L520 HydrophobicContact CE1-CD2 3.92Å; F497-L520 HydrophobicContact CD2-CD2 3.99Å; F497-L520 HydrophobicContact CE2-CB 3.91Å; F497-L520 HydrophobicContact CE2-CD2 3.79Å; F497-L520 HydrophobicContact CE2-CG 4.42Å; F497-L520 WeakPolarHBondContact CE2-O 3.48Å; F497-L520 HydrophobicContact CZ-CB 4.33Å; C500-L520 HydrophobicContact CB-CD2 3.86Å; L501-L520 HydrophobicContact CD1-CD1 4.25Å; A504-L520 HydrophobicContact CB-CD1 3.74Å; L516-L520 WeakPolarHBondContact O-CB 3.41Å; L516-L520 WeakPolarHBondContact O-CG 3.37Å; L516-L520 PolarHBondContact O-N 3.14Å; F517-L520 PolarHBondContact O-N 3.43Å; L520-L522 VanDerWaalsContact C-N 3.33Å; L520-L522 PolarHBondContact O-N 3.4Å; L520-A523 WeakPolarHBondContact O-CB 3.36Å; L520-A523 PolarHBondContact O-N 3Å; L520-A523 VanDerWaalsContact O-N 3.14Å; L520-M524 PolarHBondContact O-N 2.92Å
521N73.9Confident74.3Confident76 Ų7662.6 Ų62.641%0.40630%0.304SS..Hα-helixtrans-61.4-40.8175.3-75.7-23.3000112F517 A523 M524 D525F517-N521 PolarHBondContact O-ND2 3.37Å; F517-N521 PolarHBondContact O-N 2.9Å; F517-N521 WeakPolarHBondContact O-CB 3.41Å; N521-A523 PolarHBondContact O-N 3.48Å; N521-A523 VanDerWaalsContact C-N 3.32Å; N521-M524 WeakPolarHBondContact O-CB 3.49Å; N521-M524 PolarHBondContact O-N 3.37Å; N521-D525 PolarHBondContact O-N 3.08Å
522L74.6Confident74.8Confident58 Ų5857.1 Ų57.130%0.30429%0.289SS..Hα-helixtrans-62.3-38.2174-72170.6000112.6K518 E519 L520 K526K518-L522 WeakPolarHBondContact O-CG 3.44Å; K518-L522 PolarHBondContact O-N 3.05Å; E519-L522 PolarHBondContact O-N 2.76Å; L520-L522 VanDerWaalsContact C-N 3.33Å; L520-L522 PolarHBondContact O-N 3.4Å; L522-K526 WeakPolarHBondContact O-CB 3.48Å; L522-K526 PolarHBondContact O-N 3.05Å; L522-K526 VanDerWaalsContact O-N 3.12Å
523A78.7Confident75.2Confident0 Ų059.3 Ų59.30%030%0.3CS..Hα-helixtrans-67.6-38.5176.200000112F473 L474 F477 F493 E519 L520 N521 K526 A527F473-A523 HydrophobicContact CE1-CB 4.47Å; L474-A523 HydrophobicContact CD2-CB 3.7Å; F477-A523 HydrophobicContact CD1-CB 4.3Å; F477-A523 HydrophobicContact CE1-CB 4.15Å; F493-A523 HydrophobicContact CE2-CB 3.95Å; F493-A523 WeakPolarHBondContact CE2-O 3.23Å; E519-A523 PolarHBondContact O-N 3.33Å; L520-A523 WeakPolarHBondContact O-CB 3.36Å; L520-A523 PolarHBondContact O-N 3Å; L520-A523 VanDerWaalsContact O-N 3.14Å; N521-A523 PolarHBondContact O-N 3.48Å; N521-A523 VanDerWaalsContact C-N 3.32Å; A523-K526 PolarHBondContact O-N 3.2Å; A523-A527 PolarHBondContact O-N 3.39Å
524M83.1Confident75.3Confident64 Ų6456.9 Ų56.932%0.31529%0.293SS..Hα-helixtrans-61.9-51.8175.1-173174.466.300111.9F493 F497 L520 N521 K526 A527 E528F493-M524 VanDerWaalsContact CZ-CA 3.46Å; F493-M524 HydrophobicContact CZ-CB 3.93Å; F493-M524 HydrophobicContact CZ-CG 4.25Å; F497-M524 HydrophobicContact CE1-SD 4.23Å; F497-M524 HydrophobicContact CE2-CB 4.23Å; F497-M524 HydrophobicContact CZ-CB 4Å; F497-M524 HydrophobicContact CZ-CG 4.41Å; F497-M524 HydrophobicContact CZ-SD 4.14Å; L520-M524 PolarHBondContact O-N 2.92Å; N521-M524 WeakPolarHBondContact O-CB 3.49Å; N521-M524 PolarHBondContact O-N 3.37Å; M524-K526 PolarHBondContact O-N 3.45Å; M524-A527 PolarHBondContact O-N 2.76Å; M524-E528 PolarHBondContact O-N 2.94Å
525D76.8Confident75.4Confident81 Ų8156.9 Ų56.943%0.43329%0.287SS..Hα-helixtrans-53.6-41.2174.2-72.2-9.3000111.1N521 E528 Q529N521-D525 PolarHBondContact O-N 3.08Å; D525-E528 PolarHBondContact O-N 2.8Å; D525-Q529 WeakPolarHBondContact O-CG 3.29Å; D525-Q529 PolarHBondContact O-N 2.86Å
526K81.5Confident74.6Confident73 Ų7356.2 Ų56.232%0.31729%0.289SS..Hα-helixtrans-68.6-39.5179.8-169.459.6178174.50112.5F477 Y478 I481 L522 A523 M524 Q529 L530F477-K526 HydrophobicContact CE1-CB 4.28Å; F477-K526 HydrophobicContact CE1-CG 4.35Å; Y478-K526 HydrophobicContact CE1-CG 4.3Å; I481-K526 HydrophobicContact CD1-CG 4.02Å; L522-K526 WeakPolarHBondContact O-CB 3.48Å; L522-K526 PolarHBondContact O-N 3.05Å; L522-K526 VanDerWaalsContact O-N 3.12Å; A523-K526 PolarHBondContact O-N 3.2Å; M524-K526 PolarHBondContact O-N 3.45Å; K526-Q529 PolarHBondContact O-N 3.49Å; K526-L530 VanDerWaalsContact O-CG 3.32Å; K526-L530 WeakPolarHBondContact O-CG 3.35Å; K526-L530 PolarHBondContact O-N 2.93Å
527A80.1Confident73.3Confident6 Ų660.3 Ų60.35%0.0531%0.311CS..Hα-helixtrans-65.3-40.2175.600000111.5F477 L490 F493 A523 M524 L530 K531F477-A527 HydrophobicContact CZ-CB 4.13Å; L490-A527 HydrophobicContact CD2-CB 4.13Å; L490-A527 VanDerWaalsContact CD2-O 3.28Å; L490-A527 WeakPolarHBondContact CD2-O 3.49Å; F493-A527 HydrophobicContact CB-CB 4.39Å; F493-A527 HydrophobicContact CD1-CB 3.52Å; F493-A527 HydrophobicContact CD2-CB 3.82Å; F493-A527 HydrophobicContact CE1-CB 3.69Å; F493-A527 HydrophobicContact CE2-CB 3.98Å; F493-A527 HydrophobicContact CG-CB 3.62Å; F493-A527 HydrophobicContact CZ-CB 3.93Å; A523-A527 PolarHBondContact O-N 3.39Å; M524-A527 PolarHBondContact O-N 2.76Å; A527-L530 PolarHBondContact O-N 2.99Å; A527-K531 PolarHBondContact O-N 3.19Å; A527-K531 WeakPolarHBondContact O-CB 3.24Å
528E78.4Confident71.9Confident124 Ų12461.1 Ų61.158%0.57932%0.323SS*.Hα-helixtrans-62-44.5174.7-70.6-171162.600112.2M524 D525 L530 K531 A532M524-E528 PolarHBondContact O-N 2.94Å; D525-E528 PolarHBondContact O-N 2.8Å; E528-L530 PolarHBondContact O-N 3.09Å; E528-L530 VanDerWaalsContact C-N 3.34Å; E528-K531 PolarHBondContact O-N 3.21Å; E528-A532 WeakPolarHBondContact O-CB 3.42Å; E528-A532 PolarHBondContact O-N 3.45Å
529Q75.8Confident70.4Confident69 Ų6965.3 Ų65.332%0.32234%0.341SS..Hα-helixtrans-58.6-44.2173.6-72171.115.100112.1D525 K526 A532 N533D525-Q529 WeakPolarHBondContact O-CG 3.29Å; D525-Q529 PolarHBondContact O-N 2.86Å; K526-Q529 PolarHBondContact O-N 3.49Å; Q529-A532 PolarHBondContact O-N 3.07Å; Q529-N533 WeakPolarHBondContact O-CB 3.25Å; Q529-N533 PolarHBondContact O-N 2.97Å; Q529-N533 PolarHBondContact O-ND2 3.19Å; Q529-N533 VanDerWaalsContact O-ND2 3.1Å
530L82Confident68.4Low11 Ų1169.2 Ų69.26%0.05836%0.361CS..Hα-helixtrans-63.7-42.2177.6-73.8173.7000111.8F477 I481 L486 L490 K526 A527 E528 N533 L534F477-L530 HydrophobicContact CZ-CD1 4.29Å; I481-L530 HydrophobicContact CD1-CD1 3.71Å; I481-L530 HydrophobicContact CG1-CD1 3.83Å; L486-L530 HydrophobicContact CD1-CD2 4.24Å; L486-L530 HydrophobicContact CD2-CD2 3.85Å; L486-L530 HydrophobicContact CG-CD2 4.43Å; L490-L530 HydrophobicContact CD1-CB 4.43Å; L490-L530 HydrophobicContact CD2-CB 3.81Å; L490-L530 HydrophobicContact CG-CB 4.14Å; K526-L530 VanDerWaalsContact O-CG 3.32Å; K526-L530 WeakPolarHBondContact O-CG 3.35Å; K526-L530 PolarHBondContact O-N 2.93Å; A527-L530 PolarHBondContact O-N 2.99Å; E528-L530 PolarHBondContact O-N 3.09Å; E528-L530 VanDerWaalsContact C-N 3.34Å; L530-N533 PolarHBondContact O-N 2.78Å; L530-L534 WeakPolarHBondContact O-CB 3.4Å; L530-L534 WeakPolarHBondContact O-CG 3.38Å; L530-L534 PolarHBondContact O-N 2.9Å
531K79.8Confident66.3Low110 Ų11077.2 Ų77.248%0.47840%0.4SS..Hα-helixtrans-63.4-43.6177.3-173-180179.9-175.80111.4L490 A527 E528 L534 N535L490-K531 HydrophobicContact CD1-CB 4.16Å; L490-K531 HydrophobicContact CD2-CB 4.32Å; A527-K531 PolarHBondContact O-N 3.19Å; A527-K531 WeakPolarHBondContact O-CB 3.24Å; E528-K531 PolarHBondContact O-N 3.21Å; K531-L534 PolarHBondContact O-N 3.47Å; K531-N535 VanDerWaalsContact O-CB 3.29Å; K531-N535 WeakPolarHBondContact O-CB 3.23Å; K531-N535 VanDerWaalsContact O-CG 3.31Å; K531-N535 PolarHBondContact O-N 3.17Å
532A72.6Confident64.3Low50 Ų5079.4 Ų79.441%0.41341%0.411SS..Hα-helixtrans-59.8-48.4174.900000111.2E528 Q529 L534 N535 C536E528-A532 WeakPolarHBondContact O-CB 3.42Å; E528-A532 PolarHBondContact O-N 3.45Å; Q529-A532 PolarHBondContact O-N 3.07Å; A532-L534 PolarHBondContact O-N 2.97Å; A532-N535 PolarHBondContact O-N 2.92Å; A532-C536 PolarHBondContact O-SG 2.84Å; A532-C536 VanDerWaalsContact O-SG 3.41Å; A532-C536 PolarHBondContact O-N 3.25Å
533N70.8Confident62.2Low72 Ų7280 Ų8039%0.38543%0.431SS..Hα-helixtrans-63-39.5179.6-70.5-27.8000113Q529 L530 N537Q529-N533 WeakPolarHBondContact O-CB 3.25Å; Q529-N533 PolarHBondContact O-N 2.97Å; Q529-N533 PolarHBondContact O-ND2 3.19Å; Q529-N533 VanDerWaalsContact O-ND2 3.1Å; L530-N533 PolarHBondContact O-N 2.78Å; N533-N537 PolarHBondContact O-N 3.31Å; N533-N537 PolarHBondContact O-ND2 3.29Å
534L75Confident59.9Low40 Ų4088.4 Ų88.421%0.20947%0.47CS..Hα-helixtrans-73.1-37.5177.6-77.6163.3000112.5L486 L490 L530 K531 A532 N537 S538L486-L534 HydrophobicContact CB-CD1 3.99Å; L490-L534 HydrophobicContact CD1-CD1 3.41Å; L490-L534 VanDerWaalsContact CD1-CD1 3.41Å; L490-L534 HydrophobicContact CG-CD1 4.27Å; L530-L534 WeakPolarHBondContact O-CB 3.4Å; L530-L534 WeakPolarHBondContact O-CG 3.38Å; L530-L534 PolarHBondContact O-N 2.9Å; K531-L534 PolarHBondContact O-N 3.47Å; A532-L534 PolarHBondContact O-N 2.97Å; L534-N537 PolarHBondContact O-N 3.16Å; L534-S538 PolarHBondContact O-N 2.81Å
535N63.5Low57.3Low82 Ų8292.7 Ų92.744%0.43950%0.495SS..Hα-helixtrans-68.7-34.2175.8-78.1-11.2000112.4K531 A532 N537 S538 K539K531-N535 VanDerWaalsContact O-CB 3.29Å; K531-N535 WeakPolarHBondContact O-CB 3.23Å; K531-N535 VanDerWaalsContact O-CG 3.31Å; K531-N535 PolarHBondContact O-N 3.17Å; A532-N535 PolarHBondContact O-N 2.92Å; N535-N537 VanDerWaalsContact C-N 3.32Å; N535-S538 PolarHBondContact O-N 3.48Å; N535-K539 WeakPolarHBondContact O-CB 3.27Å; N535-K539 PolarHBondContact O-N 2.86Å
536C48.4Very low55.2Low80 Ų8098 Ų9854%0.54152%0.516SS..Hα-helixtrans-61.8-40.4170.9-76.70000111.6A532 M540A532-C536 PolarHBondContact O-SG 2.84Å; A532-C536 VanDerWaalsContact O-SG 3.41Å; A532-C536 PolarHBondContact O-N 3.25Å; C536-M540 WeakPolarHBondContact O-CG 3.45Å; C536-M540 PolarHBondContact O-N 2.76Å
537N45.5Very low52.7Low98 Ų98100.4 Ų100.452%0.52454%0.543SS..Hα-helixtrans-70-32176-71.5-22.7000113.3N533 L534 N535N533-N537 PolarHBondContact O-N 3.31Å; N533-N537 PolarHBondContact O-ND2 3.29Å; L534-N537 PolarHBondContact O-N 3.16Å; N535-N537 VanDerWaalsContact C-N 3.32Å
538S42.6Very low50.3Low66 Ų66105.3 Ų105.346%0.46258%0.577SS.*Hα-helixtrans-80-40.2179.2-169.10000112.9L534 N535 M540 M541 I542L534-S538 PolarHBondContact O-N 2.81Å; N535-S538 PolarHBondContact O-N 3.48Å; S538-M540 PolarHBondContact O-N 2.68Å; S538-M541 PolarHBondContact O-N 2.96Å; S538-I542 PolarHBondContact O-N 2.73Å
539K38.3Very low47.9Very low171 Ų171104.8 Ų104.874%0.74359%0.587SS**Hα-helixtrans-68.2-19.2176.5-78.9-173.6173.2-174.10113.8N535N535-K539 WeakPolarHBondContact O-CB 3.27Å; N535-K539 PolarHBondContact O-N 2.86Å
540M34.8Very low45.6Very low123 Ų123110.6 Ų110.661%0.60661%0.611SS**THydrogen-bonded Turntrans-81.2-14171-76.3-174.669.700113.6L321 C536 S538L321-M540 HydrophobicContact CD1-CE 4.4Å; L321-M540 HydrophobicContact CD1-SD 3.87Å; L321-M540 HydrophobicContact CD2-CE 4.37Å; L321-M540 HydrophobicContact CD2-SD 4.36Å; C536-M540 WeakPolarHBondContact O-CG 3.45Å; C536-M540 PolarHBondContact O-N 2.76Å; S538-M540 PolarHBondContact O-N 2.68Å
541M35.3Very low42.9Very low167 Ų167119 Ų11982%0.82365%0.65SS**THydrogen-bonded Turntrans-103.1-16.6-179.3-77.5-81-153.700113.5S538S538-M541 PolarHBondContact O-N 2.96Å
542I33.5Very low40.6Very low123 Ų123121.1 Ų121.163%0.63167%0.665SS**SBendtrans-141.1113.1-175-51.5177.6000109S538S538-I542 PolarHBondContact O-N 2.73Å
543G29.1Very low38.5Very low70 Ų70122.1 Ų122.172%0.72268%0.681SS**  trans-64.4132.317400000112
544E30.1Very low36.4Very low176 Ų176128 Ų12882%0.82271%0.705SS**  trans25.2110.8163.1-60.9-175.9164.800118.9
545N28.7Very low34.4Very low155 Ų155135.2 Ų135.283%0.82974%0.738SS**  174.1155.9109.7-89.9-41.8000112.4
546E33.8Very low32.7Very low191 Ų191136.7 Ų136.789%0.89375%0.75SS**  trans96.297.7167.8-55.8-164.9164.400118.6
547S27.8Very low31.9Very low125 Ų125140.2 Ų140.287%0.87476%0.763SS**  trans-70123.4158.744.20000112
548S30.8Very low31.1Very low109 Ų109143 Ų14376%0.76278%0.777SS**  trans-130.9108.8156.971.10000109.9
549S27.3Very low30.7Very low113 Ų113148.6 Ų148.679%0.7980%0.796SS**  trans-64.8137170.249.70000111.1
550F27.9Very low30.5Very low190 Ų190147 Ų14783%0.83380%0.796SS**  trans-120.6110.6163.2-117.9-92.9000108.3I552F550-I552 HydrophobicContact CD1-CD1 4.47Å; F550-I552 HydrophobicContact CD1-CG1 4.38Å
551Q25.4Very low30.3Very low187 Ų187146.7 Ų146.787%0.87480%0.803SS**  trans-88.2129.3166.5-77.4175-44.600108
552I30.5Very low30.3Very low156 Ų156146.3 Ų146.380%0.880%0.8SS**  trans-129.7126.2159.3-59.2-179.2000106.2F550F550-I552 HydrophobicContact CD1-CD1 4.47Å; F550-I552 HydrophobicContact CD1-CG1 4.38Å
553G29.1Very low30.3Very low71 Ų71150 Ų15073%0.73281%0.814SS**  trans-65.8150.9-159.300000115.8E555G553-E555 PolarHBondContact O-N 3.31Å
554E27.4Very low30.6Very low194 Ų194155.9 Ų155.991%0.90782%0.823SS**  trans-60.8110166.1-67.317314700109.8
555E32.1Very low30.7Very low192 Ų192155.7 Ų155.790%0.89783%0.827SS**  trans-115.9117153.4-95-175.5169.600108.7G553G553-E555 PolarHBondContact O-N 3.31Å
556V28.6Very low30.7Very low114 Ų114157.1 Ų157.169%0.69183%0.829SS**  trans-65128-175.8175.60000110.4
557L31.1Very low30.4Very low154 Ų154154 Ų15481%0.80683%0.827SS**  trans-127.282.8159-70.7176.3000108.3E559L557-E559 PolarHBondContact O-N 2.62Å
558D28.9Very low30.5Very low155 Ų155155.9 Ų155.983%0.82983%0.826SS**  trans-67116.2155.6-92.4-33.5000107.7
559E35.1Very low30.2Very low184 Ų184159 Ų15986%0.8683%0.833SS**  trans-118.6123.4161.7-79.5-165.9167.900109.9L557L557-E559 PolarHBondContact O-N 2.62Å
560D33.1Very low30.4Very low137 Ų137165.3 Ų165.373%0.73385%0.853SS**  trans-69.6131.4-171.6-166.71.3000113Q562D560-Q562 PolarHBondContact O-N 3.4Å; D560-Q562 VanDerWaalsContact O-N 3.14Å
561P31.6Very low30.5Very low117 Ų117164.1 Ų164.176%0.7685%0.854SS**SBendtrans-8775.4179.434.3-33.2000111.7
562Q34.5Very low30.7Very low160 Ų160162.9 Ų162.975%0.74885%0.853SS**  trans-142.956.1178.4-73.9-83.3-71.300112.7D560D560-Q562 PolarHBondContact O-N 3.4Å; D560-Q562 VanDerWaalsContact O-N 3.14Å
563E33.2Very low30.8Very low201 Ų201163.3 Ų163.394%0.93986%0.856SS**  trans-157.828.3171.7-124.8178-158.100119
564E35.1Very low30.9Very low193 Ų193168.7 Ų168.790%0.90286%0.864SS**  trans-114.46.4178.8-81-165.115900117
565D32.1Very low31.1Very low171 Ų171167.1 Ų167.191%0.91486%0.861SS**SBendtrans-102.317.5-172.3-103.5-10.1000116.8
566Q30.1Very low31Very low186 Ų186165.5 Ų165.587%0.86986%0.859SS**  trans-131.583.7175.8-76.6-173.91.600112.6
567C27.7Very low31.2Very low124 Ų124169.1 Ų169.184%0.83887%0.871SS**  trans-175.584.9151.4-106.40000111.1
568L28.9Very low31.2Very low166 Ų166170.3 Ų170.387%0.86988%0.876SS**  trans177.480145.9-99.5142.5000110.4
569L25.2Very low31.4Very low174 Ų174171.6 Ų171.691%0.91188%0.88SS**  trans-128.483162.3-117.1164.4000106.2
570M30.1Very low31Very low246 Ų246170.5 Ų170.5100%1.21288%0.881SS**  trans179.70157.4-90.4-162.8-155.300106.1

Retrieved 570 of 570 residues in 756 ms (Link to these results)

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