A0A077Z972_TRITR Loading...

Flap endonuclease 1

AlphaFold DB , UniProt , Accession A0A077Z972, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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
1M43.2Very low61.7Low244 Ų244116.3 Ų116.3100%1.20260%0.603SS**  0101.60-71.5167.394.400105.8D3M1-D3 PolarHBondContact O-N 3.38Å
2C46.3Very low62.2Low105 Ų105122.2 Ų122.271%0.70961%0.611SS**  trans-72.9108-171.3-174.70000109.3T4C2-T4 PolarHBondContact O-N 3.17Å; C2-T4 PolarHBondContact O-OG1 3.22Å
3D61.8Low62.4Low111 Ų111125.5 Ų125.559%0.59461%0.612SS**  trans29.932146.3-110-3.7000119.3M1 E5 A6 I7M1-D3 PolarHBondContact O-N 3.38Å; D3-E5 VanDerWaalsContact C-N 3.28Å; D3-E5 PolarHBondContact O-N 2.97Å; D3-A6 HydrophobicContact CB-CB 4.02Å; D3-A6 VanDerWaalsContact CG-CB 3.43Å; D3-A6 PolarHBondContact O-N 3.36Å; D3-A6 VanDerWaalsContact O-N 3.11Å; D3-A6 VanDerWaalsContact OD1-CB 3.23Å; D3-A6 WeakPolarHBondContact OD1-CB 3.09Å; D3-I7 WeakPolarHBondContact O-CB 3.36Å; D3-I7 VanDerWaalsContact O-CG1 3.24Å; D3-I7 WeakPolarHBondContact O-CG1 3.23Å; D3-I7 PolarHBondContact O-N 3.22Å
4T65.3Low62.9Low101 Ų101126.6 Ų126.662%0.6262%0.621SS**Hα-helixtrans-66.8-36.9-174.1-21.10000110C2 D8C2-T4 PolarHBondContact O-N 3.17Å; C2-T4 PolarHBondContact O-OG1 3.22Å; T4-D8 WeakPolarHBondContact O-CB 3.48Å; T4-D8 PolarHBondContact O-N 2.76Å
5E64.9Low63.6Low174 Ų174125.1 Ų125.181%0.81362%0.622SS**Hα-helixtrans-68.7-36.9173-65.8-173.6157.500112.9D3 K9D3-E5 VanDerWaalsContact C-N 3.28Å; D3-E5 PolarHBondContact O-N 2.97Å; E5-K9 WeakPolarHBondContact O-CB 3.42Å; E5-K9 PolarHBondContact O-N 2.93Å
6A64.9Low64.4Low23 Ų23126.4 Ų126.419%0.1963%0.625CS.*Hα-helixtrans-70.1-44.517700000110.6D3 D8 K9 Y10D3-A6 HydrophobicContact CB-CB 4.02Å; D3-A6 VanDerWaalsContact CG-CB 3.43Å; D3-A6 PolarHBondContact O-N 3.36Å; D3-A6 VanDerWaalsContact O-N 3.11Å; D3-A6 VanDerWaalsContact OD1-CB 3.23Å; D3-A6 WeakPolarHBondContact OD1-CB 3.09Å; A6-D8 VanDerWaalsContact C-N 3.34Å; A6-D8 PolarHBondContact O-N 2.71Å; A6-K9 WeakPolarHBondContact O-CB 3.15Å; A6-K9 PolarHBondContact O-N 3.35Å; A6-K9 VanDerWaalsContact O-N 3.13Å; A6-Y10 HydrophobicContact CB-CE2 4.38Å; A6-Y10 WeakPolarHBondContact O-CD2 3.37Å; A6-Y10 PolarHBondContact O-N 3.33Å
7I71.2Confident65.5Low100 Ų100125.6 Ų125.651%0.51363%0.629SS.*Hα-helixtrans-59.2-44.6175.5-67.7166.8000110.5D3 K9 Y10 S11D3-I7 WeakPolarHBondContact O-CB 3.36Å; D3-I7 VanDerWaalsContact O-CG1 3.24Å; D3-I7 WeakPolarHBondContact O-CG1 3.23Å; D3-I7 PolarHBondContact O-N 3.22Å; I7-K9 VanDerWaalsContact C-N 3.33Å; I7-K9 PolarHBondContact O-N 2.81Å; I7-Y10 PolarHBondContact O-N 2.91Å; I7-S11 WeakPolarHBondContact O-CB 3.42Å; I7-S11 PolarHBondContact O-N 3.38Å; I7-S11 PolarHBondContact O-OG 3.5Å
8D68.3Low66.7Low87 Ų87122.1 Ų122.147%0.46562%0.615SS.*Hα-helixtrans-64.3-35.5174.9-98.28.4000112.9T4 A6 S11 R12T4-D8 WeakPolarHBondContact O-CB 3.48Å; T4-D8 PolarHBondContact O-N 2.76Å; A6-D8 VanDerWaalsContact C-N 3.34Å; A6-D8 PolarHBondContact O-N 2.71Å; D8-S11 WeakPolarHBondContact CA-OG 3.29Å; D8-S11 PolarHBondContact O-OG 2.75Å; D8-R12 WeakPolarHBondContact O-CG 3.24Å; D8-R12 PolarHBondContact O-N 3.08Å
9K62.4Low67.9Low133 Ų133125.5 Ų125.558%0.57863%0.625SS**Hα-helixtrans-69.3-39.5176-171.7177.6-179.1178.80111.6E5 A6 I7E5-K9 WeakPolarHBondContact O-CB 3.42Å; E5-K9 PolarHBondContact O-N 2.93Å; A6-K9 WeakPolarHBondContact O-CB 3.15Å; A6-K9 PolarHBondContact O-N 3.35Å; A6-K9 VanDerWaalsContact O-N 3.13Å; I7-K9 VanDerWaalsContact C-N 3.33Å; I7-K9 PolarHBondContact O-N 2.81Å
10Y65Low69Low150 Ų150125.9 Ų125.959%0.58863%0.625SS**Hα-helixtrans-70.2-39.3175.6-75.5-67.1000111.7A6 I7 R12 R13 L14A6-Y10 HydrophobicContact CB-CE2 4.38Å; A6-Y10 WeakPolarHBondContact O-CD2 3.37Å; A6-Y10 PolarHBondContact O-N 3.33Å; I7-Y10 PolarHBondContact O-N 2.91Å; Y10-R12 VanDerWaalsContact C-N 3.32Å; Y10-R12 PolarHBondContact O-N 2.96Å; Y10-R13 WeakPolarHBondContact O-CB 3.48Å; Y10-R13 PolarHBondContact O-N 3.44Å; Y10-R13 VanDerWaalsContact O-N 3.11Å; Y10-L14 PolarHBondContact O-N 3.2Å
11S65.4Low70Confident51 Ų51123.9 Ų123.936%0.35761%0.614SS.*Hα-helixtrans-61.7-40178.570.80000111.8I7 D8 R13 L14I7-S11 WeakPolarHBondContact O-CB 3.42Å; I7-S11 PolarHBondContact O-N 3.38Å; I7-S11 PolarHBondContact O-OG 3.5Å; D8-S11 WeakPolarHBondContact CA-OG 3.29Å; D8-S11 PolarHBondContact O-OG 2.75Å; S11-R13 VanDerWaalsContact C-N 3.26Å; S11-R13 PolarHBondContact O-N 2.86Å; S11-L14 PolarHBondContact O-N 3.43Å
12R68Low72.3Confident187 Ų187114.9 Ų114.971%0.70657%0.573SS**Hα-helixtrans-60.3-30.6174.8-73177.3-168.3172.17.2114D8 Y10 L14D8-R12 WeakPolarHBondContact O-CG 3.24Å; D8-R12 PolarHBondContact O-N 3.08Å; Y10-R12 VanDerWaalsContact C-N 3.32Å; Y10-R12 PolarHBondContact O-N 2.96Å; R12-L14 VanDerWaalsContact C-N 3.31Å
13R64.8Low74.5Confident166 Ų166115 Ų11563%0.62656%0.563SS**Hα-helixtrans-75.2-21.4177.1-68.3179.3175.2179.1-4.3113.1Y10 S11Y10-R13 WeakPolarHBondContact O-CB 3.48Å; Y10-R13 PolarHBondContact O-N 3.44Å; Y10-R13 VanDerWaalsContact O-N 3.11Å; S11-R13 VanDerWaalsContact C-N 3.26Å; S11-R13 PolarHBondContact O-N 2.86Å
14L69Low76Confident140 Ų140112.1 Ų112.173%0.73355%0.546SS*.Hα-helixtrans-85.6-11.8179.2-66172.3000112.6Y10 S11 R12 H16Y10-L14 PolarHBondContact O-N 3.2Å; S11-L14 PolarHBondContact O-N 3.43Å; R12-L14 VanDerWaalsContact C-N 3.31Å; L14-H16 PolarHBondContact O-N 2.96Å; L14-H16 VanDerWaalsContact O-N 3.12Å; L14-H16 PolarHBondContact O-ND1 3.39Å
15V73.2Confident77.4Confident105 Ų105111 Ų11164%0.63654%0.542SS*.  trans-69.9110.6179-177.90000109
16H76.7Confident78.8Confident145 Ų145104.7 Ų104.767%0.67151%0.512SS*.  trans-110.7139.9169.4-72.136.9000108.5L14 T18L14-H16 PolarHBondContact O-N 2.96Å; L14-H16 VanDerWaalsContact O-N 3.12Å; L14-H16 PolarHBondContact O-ND1 3.39Å; H16-T18 PolarHBondContact O-N 3.02Å
17V83.1Confident80.2Confident113 Ų113107.3 Ų107.369%0.68552%0.519SS*.  trans-67.7123.4177.3-179.60000108.7Q21V17-Q21 HydrophobicContact CG1-CB 4.27Å
18T87.6Confident81.4Confident62 Ų62104.1 Ų104.138%0.3850%0.504SS..  trans-84.9154.9177.771.30000110.5H16 E20 Q21 T22H16-T18 PolarHBondContact O-N 3.02Å; T18-E20 PolarHBondContact O-N 3.07Å; T18-Q21 WeakPolarHBondContact O-CB 3.17Å; T18-Q21 PolarHBondContact O-N 3.45Å; T18-Q21 VanDerWaalsContact O-N 3.12Å; T18-Q21 WeakPolarHBondContact OG1-CG 3.26Å; T18-Q21 PolarHBondContact OG1-N 3.32Å; T18-Q21 VanDerWaalsContact OG1-N 3.16Å; T18-T22 PolarHBondContact O-N 3.42Å; T18-T22 VanDerWaalsContact O-N 3.13Å; T18-T22 PolarHBondContact O-OG1 3.02Å
19K88.2Confident82.6Confident187 Ų187102.9 Ų102.981%0.81350%0.497SS*.Hα-helixtrans-56.2-38173-69.8-174.1176.9-176.70111.8T22 E23K19-T22 WeakPolarHBondContact O-CB 3.2Å; K19-T22 PolarHBondContact O-N 3.4Å; K19-E23 WeakPolarHBondContact O-CG 3.38Å; K19-E23 PolarHBondContact O-N 2.88Å
20E90.5Very high84.2Confident133 Ų133103.1 Ų103.162%0.62150%0.5SS*.Hα-helixtrans-59.2-47.8175.7-177.4179.8-168.100111.6T18 T22 E23 E24T18-E20 PolarHBondContact O-N 3.07Å; E20-T22 VanDerWaalsContact C-N 3.29Å; E20-T22 PolarHBondContact O-N 3.12Å; E20-E23 PolarHBondContact O-N 2.83Å; E20-E24 WeakPolarHBondContact CG-OE1 3.34Å; E20-E24 WeakPolarHBondContact O-CB 3.48Å; E20-E24 VanDerWaalsContact O-CG 3.28Å; E20-E24 WeakPolarHBondContact O-CG 3.21Å; E20-E24 PolarHBondContact O-N 2.96Å
21Q90.1Very high85.6Confident84 Ų8497.2 Ų97.239%0.39348%0.478SS..Hα-helixtrans-60.1-39.5177-73170-30.100112.3V17 T18 E24 C25V17-Q21 HydrophobicContact CG1-CB 4.27Å; T18-Q21 WeakPolarHBondContact O-CB 3.17Å; T18-Q21 PolarHBondContact O-N 3.45Å; T18-Q21 VanDerWaalsContact O-N 3.12Å; T18-Q21 WeakPolarHBondContact OG1-CG 3.26Å; T18-Q21 PolarHBondContact OG1-N 3.32Å; T18-Q21 VanDerWaalsContact OG1-N 3.16Å; Q21-E24 PolarHBondContact O-N 2.86Å; Q21-C25 WeakPolarHBondContact O-CB 3.43Å; Q21-C25 PolarHBondContact O-N 3.35Å; Q21-C25 PolarHBondContact O-SG 3.38Å
22T91Very high87.1Confident56 Ų5697.7 Ų97.734%0.34448%0.476SS..Hα-helixtrans-62.4-48175.6-62.50000111.5T18 K19 E20 E24 C25 K26T18-T22 PolarHBondContact O-N 3.42Å; T18-T22 VanDerWaalsContact O-N 3.13Å; T18-T22 PolarHBondContact O-OG1 3.02Å; K19-T22 WeakPolarHBondContact O-CB 3.2Å; K19-T22 PolarHBondContact O-N 3.4Å; E20-T22 VanDerWaalsContact C-N 3.29Å; E20-T22 PolarHBondContact O-N 3.12Å; T22-E24 VanDerWaalsContact C-N 3.33Å; T22-E24 PolarHBondContact O-N 3.49Å; T22-C25 PolarHBondContact O-N 2.86Å; T22-K26 HydrophobicContact CG2-CD 4.49Å; T22-K26 WeakPolarHBondContact O-CG 3.47Å; T22-K26 PolarHBondContact O-N 3.08Å
23E92.9Very high88.2Confident106 Ų10689 Ų8950%0.49544%0.444SS..Hα-helixtrans-65.8-36.1179-67.1-53.5126.600112.3K19 E20 K26 K27K19-E23 WeakPolarHBondContact O-CG 3.38Å; K19-E23 PolarHBondContact O-N 2.88Å; E20-E23 PolarHBondContact O-N 2.83Å; E23-K26 PolarHBondContact O-N 2.89Å; E23-K26 IonicContact OE1-NZ 3.38Å; E23-K26 PolarHBondContact OE1-NZ 3.29Å; E23-K27 WeakPolarHBondContact O-CB 3.44Å; E23-K27 PolarHBondContact O-N 3.39Å
24E94.1Very high89.6Confident51 Ų5183 Ų8324%0.23843%0.426CS..Hα-helixtrans-63.5-44.6172.5-71.3178.2-170.100111.9E20 Q21 T22 K26 K27 V28 F195 K200E20-E24 WeakPolarHBondContact CG-OE1 3.34Å; E20-E24 WeakPolarHBondContact O-CB 3.48Å; E20-E24 VanDerWaalsContact O-CG 3.28Å; E20-E24 WeakPolarHBondContact O-CG 3.21Å; E20-E24 PolarHBondContact O-N 2.96Å; Q21-E24 PolarHBondContact O-N 2.86Å; T22-E24 VanDerWaalsContact C-N 3.33Å; T22-E24 PolarHBondContact O-N 3.49Å; E24-K26 VanDerWaalsContact C-N 3.34Å; E24-K26 PolarHBondContact O-N 3.24Å; E24-K27 PolarHBondContact O-N 3.22Å; E24-V28 WeakPolarHBondContact O-CG2 3.43Å; E24-V28 PolarHBondContact O-N 3.11Å; E24-F195 HydrophobicContact CB-CZ 4.29Å; E24-F195 HydrophobicContact CG-CZ 4.16Å; E24-K200 VanDerWaalsContact CD-CE 3.5Å; E24-K200 WeakPolarHBondContact OE1-CE 3.36Å; E24-K200 IonicContact OE1-NZ 3.56Å; E24-K200 PolarHBondContact OE1-NZ 2.96Å; E24-K200 WeakPolarHBondContact OE2-CE 3.45Å; E24-K200 IonicContact OE2-NZ 2.79Å; E24-K200 PolarHBondContact OE2-NZ 3.42Å; E24-K200 VanDerWaalsContact OE2-NZ 3.17Å
25C93.8Very high90.7Very high78 Ų7878 Ų7853%0.52740%0.402SS..Hα-helixtrans-61.3-43.8176.1-69.80000111.2Q21 T22 K27 V28 L29Q21-C25 WeakPolarHBondContact O-CB 3.43Å; Q21-C25 PolarHBondContact O-N 3.35Å; Q21-C25 PolarHBondContact O-SG 3.38Å; T22-C25 PolarHBondContact O-N 2.86Å; C25-K27 VanDerWaalsContact C-N 3.35Å; C25-K27 PolarHBondContact O-N 3.41Å; C25-V28 PolarHBondContact O-N 2.85Å; C25-L29 VanDerWaalsContact O-CG 3.3Å; C25-L29 WeakPolarHBondContact O-CG 3.23Å; C25-L29 PolarHBondContact O-N 2.83Å
26K93.8Very high91.6Very high42 Ų4276.6 Ų76.618%0.18339%0.387CS..Hα-helixtrans-59.3-45175.1-71.6176.4-173.4175.40111.8T22 E23 E24 V28 L29 Q30 F36 D38T22-K26 HydrophobicContact CG2-CD 4.49Å; T22-K26 WeakPolarHBondContact O-CG 3.47Å; T22-K26 PolarHBondContact O-N 3.08Å; E23-K26 PolarHBondContact O-N 2.89Å; E23-K26 IonicContact OE1-NZ 3.38Å; E23-K26 PolarHBondContact OE1-NZ 3.29Å; E24-K26 VanDerWaalsContact C-N 3.34Å; E24-K26 PolarHBondContact O-N 3.24Å; K26-V28 VanDerWaalsContact C-N 3.34Å; K26-V28 PolarHBondContact O-N 3.19Å; K26-L29 PolarHBondContact O-N 3.47Å; K26-Q30 WeakPolarHBondContact O-CB 3.44Å; K26-Q30 PolarHBondContact O-N 3.04Å; K26-F36 HydrophobicContact CB-CE1 4.2Å; K26-F36 HydrophobicContact CB-CE2 4.17Å; K26-F36 HydrophobicContact CB-CZ 3.88Å; K26-F36 HydrophobicContact CD-CD2 4.44Å; K26-F36 HydrophobicContact CD-CE2 3.84Å; K26-F36 HydrophobicContact CD-CZ 4.28Å; K26-F36 HydrophobicContact CG-CD2 4.09Å; K26-F36 HydrophobicContact CG-CE2 3.78Å; K26-F36 HydrophobicContact CG-CZ 4.04Å; K26-D38 WeakPolarHBondContact CE-OD1 3.47Å; K26-D38 IonicContact NZ-OD1 3.5Å; K26-D38 PolarHBondContact NZ-OD1 3.02Å
27K94.7Very high92.2Very high78 Ų7872 Ų7234%0.33937%0.367SS..Hα-helixtrans-60.1-44176.9-172.3170.5174.7-170.50111.2E23 E24 C25 Q30 L31 F195 E199E23-K27 WeakPolarHBondContact O-CB 3.44Å; E23-K27 PolarHBondContact O-N 3.39Å; E24-K27 PolarHBondContact O-N 3.22Å; C25-K27 VanDerWaalsContact C-N 3.35Å; C25-K27 PolarHBondContact O-N 3.41Å; K27-Q30 PolarHBondContact O-N 3.3Å; K27-L31 HydrophobicContact CG-CD1 4.22Å; K27-L31 WeakPolarHBondContact O-CB 3.41Å; K27-L31 VanDerWaalsContact O-CG 3.23Å; K27-L31 WeakPolarHBondContact O-CG 3.43Å; K27-L31 PolarHBondContact O-N 2.81Å; K27-F195 HydrophobicContact CD-CD2 3.81Å; K27-F195 HydrophobicContact CD-CE1 4.4Å; K27-F195 HydrophobicContact CD-CE2 3.65Å; K27-F195 HydrophobicContact CD-CG 4.25Å; K27-F195 HydrophobicContact CD-CZ 3.96Å; K27-F195 VanDerWaalsContact CE-CD2 3.44Å; K27-F195 HydrophobicContact CG-CD1 4.5Å; K27-F195 HydrophobicContact CG-CE1 4.46Å; K27-F195 HydrophobicContact CG-CZ 4.46Å; K27-E199 IonicContact NZ-OE1 3.61Å; K27-E199 IonicContact NZ-OE2 3.61Å
28V96Very high92.1Very high33 Ų3371.1 Ų71.120%0.236%0.359CS..Hα-helixtrans-62.2-46.9175.2175.50000111.5E24 C25 K26 Q30 L31 M32 F195 L196E24-V28 WeakPolarHBondContact O-CG2 3.43Å; E24-V28 PolarHBondContact O-N 3.11Å; C25-V28 PolarHBondContact O-N 2.85Å; K26-V28 VanDerWaalsContact C-N 3.34Å; K26-V28 PolarHBondContact O-N 3.19Å; V28-Q30 VanDerWaalsContact C-N 3.33Å; V28-Q30 PolarHBondContact O-N 3.37Å; V28-L31 PolarHBondContact O-N 3.29Å; V28-M32 HydrophobicContact CG1-CG 4.21Å; V28-M32 HydrophobicContact CG1-SD 3.66Å; V28-M32 WeakPolarHBondContact O-CB 3.46Å; V28-M32 VanDerWaalsContact O-CG 3.26Å; V28-M32 WeakPolarHBondContact O-CG 3.35Å; V28-M32 PolarHBondContact O-N 3.44Å; V28-F195 HydrophobicContact CG2-CD1 3.88Å; V28-F195 HydrophobicContact CG2-CE1 3.58Å; V28-L196 HydrophobicContact CG2-CD2 4.02Å
29L95Very high91.4Very high61 Ų6170.6 Ų70.632%0.31936%0.355SS..Hα-helixtrans-60.5-43.4179.2-70.9170.6000111.8C25 K26 M32 G33 V34 F36C25-L29 VanDerWaalsContact O-CG 3.3Å; C25-L29 WeakPolarHBondContact O-CG 3.23Å; C25-L29 PolarHBondContact O-N 2.83Å; K26-L29 PolarHBondContact O-N 3.47Å; L29-M32 PolarHBondContact O-N 2.99Å; L29-G33 PolarHBondContact O-N 3.31Å; L29-G33 VanDerWaalsContact O-N 3.11Å; L29-V34 HydrophobicContact CD2-CB 4.03Å; L29-V34 HydrophobicContact CD2-CG1 3.99Å; L29-V34 PolarHBondContact O-N 3.1Å; L29-F36 HydrophobicContact CB-CD1 4.06Å; L29-F36 HydrophobicContact CD1-CB 4.13Å
30Q94.7Very high90.3Very high138 Ų13866.3 Ų66.365%0.64534%0.344SS*.Hα-helixtrans-59.8-47.3175.7-171.2177.810.500111.5K26 K27 V28 M32 G33 F36K26-Q30 WeakPolarHBondContact O-CB 3.44Å; K26-Q30 PolarHBondContact O-N 3.04Å; K27-Q30 PolarHBondContact O-N 3.3Å; V28-Q30 VanDerWaalsContact C-N 3.33Å; V28-Q30 PolarHBondContact O-N 3.37Å; Q30-M32 VanDerWaalsContact C-N 3.31Å; Q30-M32 PolarHBondContact O-N 3.13Å; Q30-G33 PolarHBondContact O-N 3.32Å; Q30-F36 HydrophobicContact CB-CE1 4.33Å
31L95.8Very high89Confident25 Ų2564.2 Ų64.213%0.13135%0.35CS..Hα-helixtrans-66.4-31.6177.6-69.2172000112.6K27 V28 G33 P187 D188 L192 F195K27-L31 HydrophobicContact CG-CD1 4.22Å; K27-L31 WeakPolarHBondContact O-CB 3.41Å; K27-L31 VanDerWaalsContact O-CG 3.23Å; K27-L31 WeakPolarHBondContact O-CG 3.43Å; K27-L31 PolarHBondContact O-N 2.81Å; V28-L31 PolarHBondContact O-N 3.29Å; L31-G33 PolarHBondContact O-N 3.14Å; L31-P187 CarbonylContact O-C 3.24Å; L31-P187 WeakPolarHBondContact O-CA 3.23Å; L31-D188 HydrophobicContact CD2-CB 4.14Å; L31-D188 PolarHBondContact O-N 2.85Å; L31-L192 HydrophobicContact CB-CD2 3.58Å; L31-L192 HydrophobicContact CB-CG 3.85Å; L31-L192 HydrophobicContact CD1-CD2 4.35Å; L31-F195 HydrophobicContact CD1-CB 3.83Å; L31-F195 HydrophobicContact CD1-CD1 4.3Å; L31-F195 HydrophobicContact CD1-CG 4.27Å
32M95.2Very high87.8Confident62 Ų6265.5 Ų65.531%0.30537%0.365SS..Hα-helixtrans-73.3-11.6172.5-71.8175.668.100113.1V28 L29 Q30 V34 L192 L214V28-M32 HydrophobicContact CG1-CG 4.21Å; V28-M32 HydrophobicContact CG1-SD 3.66Å; V28-M32 WeakPolarHBondContact O-CB 3.46Å; V28-M32 VanDerWaalsContact O-CG 3.26Å; V28-M32 WeakPolarHBondContact O-CG 3.35Å; V28-M32 PolarHBondContact O-N 3.44Å; L29-M32 PolarHBondContact O-N 2.99Å; Q30-M32 VanDerWaalsContact C-N 3.31Å; Q30-M32 PolarHBondContact O-N 3.13Å; M32-V34 VanDerWaalsContact C-N 3.31Å; M32-V34 HydrophobicContact CB-CG2 3.94Å; M32-L192 HydrophobicContact CG-CD1 4.32Å; M32-L192 HydrophobicContact CG-CD2 4.04Å; M32-L214 HydrophobicContact CB-CD2 3.8Å; M32-L214 HydrophobicContact CE-CD2 3.87Å; M32-L214 HydrophobicContact CG-CD2 4.04Å; M32-L214 WeakPolarHBondContact O-CD2 3.37Å
33G92.8Very high87.1Confident4 Ų463.7 Ų63.74%0.04136%0.358CS..THydrogen-bonded Turntrans71.425.5-173.500000113.8L29 Q30 L31 W184 T185L29-G33 PolarHBondContact O-N 3.31Å; L29-G33 VanDerWaalsContact O-N 3.11Å; Q30-G33 PolarHBondContact O-N 3.32Å; L31-G33 PolarHBondContact O-N 3.14Å; G33-W184 WeakPolarHBondContact O-CA 3.42Å; G33-T185 WeakPolarHBondContact CA-OG1 3.34Å; G33-T185 PolarHBondContact O-N 3.07Å
34V93.3Very high86.8Confident41 Ų4162.7 Ų62.725%0.24835%0.353CS..  trans-96.3124.5177.6179.80000108.9L29 M32L29-V34 HydrophobicContact CD2-CB 4.03Å; L29-V34 HydrophobicContact CD2-CG1 3.99Å; L29-V34 PolarHBondContact O-N 3.1Å; M32-V34 VanDerWaalsContact C-N 3.31Å; M32-V34 HydrophobicContact CB-CG2 3.94Å
35P92.6Very high86.6Confident34 Ų3463 Ų6322%0.22137%0.365CS..  trans-68.4143177.829.1-33.8000110.6L182 W184P35-L182 HydrophobicContact CB-CD2 4.36Å; P35-L182 HydrophobicContact CG-CB 4.32Å; P35-W184 HydrophobicContact CG-CD2 3.86Å; P35-W184 HydrophobicContact CG-CE3 4.16Å; P35-W184 HydrophobicContact CG-CG 4.36Å; P35-W184 HydrophobicContact CG-CH2 4.18Å; P35-W184 HydrophobicContact CG-CZ2 3.89Å; P35-W184 HydrophobicContact CG-CZ3 4.31Å
36F92.2Very high86.5Confident76 Ų7660.5 Ų60.533%0.33335%0.345SS..  trans-133.1160.7169.865.3-91.6000109.3K26 L29 Q30K26-F36 HydrophobicContact CB-CE1 4.2Å; K26-F36 HydrophobicContact CB-CE2 4.17Å; K26-F36 HydrophobicContact CB-CZ 3.88Å; K26-F36 HydrophobicContact CD-CD2 4.44Å; K26-F36 HydrophobicContact CD-CE2 3.84Å; K26-F36 HydrophobicContact CD-CZ 4.28Å; K26-F36 HydrophobicContact CG-CD2 4.09Å; K26-F36 HydrophobicContact CG-CE2 3.78Å; K26-F36 HydrophobicContact CG-CZ 4.04Å; L29-F36 HydrophobicContact CB-CD1 4.06Å; L29-F36 HydrophobicContact CD1-CB 4.13Å; Q30-F36 HydrophobicContact CB-CE1 4.33Å
37I88.2Confident86.5Confident48 Ų4858.6 Ų58.625%0.24634%0.338CS..  trans-117.3129.8177.5-65163.1000107.8V39 M52 L180 L182I37-V39 PolarHBondContact O-N 3.45Å; I37-M52 HydrophobicContact CD1-CE 3.46Å; I37-M52 VanDerWaalsContact CD1-CE 3.46Å; I37-M52 HydrophobicContact CD1-SD 3.27Å; I37-M52 WeakPolarHBondContact CD1-SD 3.34Å; I37-L180 HydrophobicContact CD1-CD1 3.82Å; I37-L180 HydrophobicContact CD1-CD2 4.24Å; I37-L180 HydrophobicContact CG1-CD2 4.23Å; I37-L180 HydrophobicContact CG2-CD2 4.47Å; I37-L182 HydrophobicContact CD1-CD2 4.11Å; I37-L182 HydrophobicContact CG1-CD2 4.35Å
38D81Confident86.4Confident95 Ų9555.1 Ų55.151%0.50832%0.323SS..  trans-78.1110.5164.6-77.5-49.9000108.7K26 V40K26-D38 WeakPolarHBondContact CE-OD1 3.47Å; K26-D38 IonicContact NZ-OD1 3.5Å; K26-D38 PolarHBondContact NZ-OD1 3.02Å; D38-V40 PolarHBondContact O-N 2.86Å
39V73.2Confident86.4Confident51 Ų5156 Ų5631%0.30933%0.33SS..PPolyproline II helixtrans-68.1130.7175.3-1760000108.3I37 A41 G43 A45 Q48I37-V39 PolarHBondContact O-N 3.45Å; V39-A41 PolarHBondContact O-N 3.25Å; V39-G43 WeakPolarHBondContact CG1-O 3.36Å; V39-A45 HydrophobicContact CG2-CB 4.22Å; V39-Q48 HydrophobicContact CG2-CB 4.37Å
40V64.6Low86.4Confident96 Ų9653.1 Ų53.158%0.58232%0.315SS*.PPolyproline II helixtrans-68.3117.8173.9171.50000108.2D38 G43 C175D38-V40 PolarHBondContact O-N 2.86Å; V40-G43 WeakPolarHBondContact O-CA 3.46Å; V40-G43 PolarHBondContact O-N 3.32Å; V40-C175 WeakPolarHBondContact CG2-SG 3.45Å
41A63.3Low86.4Confident89 Ų8947.4 Ų47.474%0.73629%0.291SS*.THydrogen-bonded Turntrans-62.5135.2169.900000109.6V39V39-A41 PolarHBondContact O-N 3.25Å
42P65.6Low86.3Confident111 Ų11146.9 Ų46.972%0.72129%0.288SS*.THydrogen-bonded Turncis-95.316.415.738.2-36.4000115.8
43G76.7Confident86.3Confident19 Ų1944 Ų4420%0.19627%0.274CS..  trans-65.8156.3-174.400000115.1V39 V40 D173V39-G43 WeakPolarHBondContact CG1-O 3.36Å; V40-G43 WeakPolarHBondContact O-CA 3.46Å; V40-G43 PolarHBondContact O-N 3.32Å; G43-D173 WeakPolarHBondContact CA-O 3.23Å
44E85.3Confident86.3Confident84 Ų8448.1 Ų48.139%0.39329%0.291SS..  trans-95.6142.1180-65.8-77.3-169.100111.4E46 A47 Q48 F71 Y120E44-E46 VanDerWaalsContact C-N 3.28Å; E44-E46 HydrophobicContact CB-CG 4.03Å; E44-E46 PolarHBondContact O-N 3.12Å; E44-A47 HydrophobicContact CB-CB 4.09Å; E44-A47 WeakPolarHBondContact O-CB 3.49Å; E44-A47 PolarHBondContact O-N 3.27Å; E44-Q48 PolarHBondContact O-N 2.9Å; E44-F71 HydrophobicContact CB-CZ 4.46Å; E44-F71 HydrophobicContact CG-CZ 4.47Å; E44-Y120 WeakPolarHBondContact CG-OH 3.5Å; E44-Y120 PolarHBondContact OE1-OH 2.98Å
45A90.5Very high86.2Confident58 Ų5848.6 Ų48.648%0.47930%0.299SS..Hα-helixtrans-63.6-35.6-179.500000112.4V39 Q48 C49V39-A45 HydrophobicContact CG2-CB 4.22Å; A45-Q48 PolarHBondContact O-N 3.34Å; A45-C49 PolarHBondContact O-N 3.17Å; A45-C49 PolarHBondContact O-SG 3.07Å
46E91.8Very high86.2Confident25 Ų2553.3 Ų53.312%0.11732%0.316CS..Hα-helixtrans-68.4-37.817646.2179.3-178.700113.3E44 Q48 C49 A50 T68 F71E44-E46 VanDerWaalsContact C-N 3.28Å; E44-E46 HydrophobicContact CB-CG 4.03Å; E44-E46 PolarHBondContact O-N 3.12Å; E46-Q48 VanDerWaalsContact C-N 3.34Å; E46-C49 PolarHBondContact O-N 2.94Å; E46-A50 WeakPolarHBondContact O-CB 3.4Å; E46-A50 PolarHBondContact O-N 3.01Å; E46-T68 WeakPolarHBondContact CB-OG1 3.4Å; E46-T68 PolarHBondContact OE2-N 2.77Å; E46-T68 PolarHBondContact OE2-OG1 3.12Å; E46-F71 HydrophobicContact CB-CD2 4.43Å; E46-F71 HydrophobicContact CG-CD2 3.93Å; E46-F71 HydrophobicContact CG-CE2 3.69Å; E46-F71 WeakPolarHBondContact OE1-CE2 3.39Å
47A93.5Very high86.1Confident3 Ų352.8 Ų52.83%0.02532%0.316CS..Hα-helixtrans-62.7-43.6172.700000110.8E44 C49 A50 A51 F71 P172 V174E44-A47 HydrophobicContact CB-CB 4.09Å; E44-A47 WeakPolarHBondContact O-CB 3.49Å; E44-A47 PolarHBondContact O-N 3.27Å; A47-C49 PolarHBondContact O-N 3.45Å; A47-A50 PolarHBondContact O-N 3.21Å; A47-A51 WeakPolarHBondContact O-CB 3.35Å; A47-A51 PolarHBondContact O-N 2.6Å; A47-F71 HydrophobicContact CB-CD1 3.6Å; A47-F71 HydrophobicContact CB-CD2 4.14Å; A47-F71 HydrophobicContact CB-CE1 3.7Å; A47-F71 HydrophobicContact CB-CE2 4.24Å; A47-F71 HydrophobicContact CB-CG 3.83Å; A47-F71 HydrophobicContact CB-CZ 4.03Å; A47-P172 HydrophobicContact CB-CB 3.71Å; A47-P172 HydrophobicContact CB-CG 4.1Å; A47-V174 HydrophobicContact CB-CG1 3.98Å
48Q94.2Very high86.3Confident4 Ų452.6 Ų52.62%0.01932%0.317CS..Hα-helixtrans-61.5-43.9174.3-174.263.354.400111.7V39 E44 A45 E46 A51 M52 C175V39-Q48 HydrophobicContact CG2-CB 4.37Å; E44-Q48 PolarHBondContact O-N 2.9Å; A45-Q48 PolarHBondContact O-N 3.34Å; E46-Q48 VanDerWaalsContact C-N 3.34Å; Q48-A51 PolarHBondContact O-N 2.87Å; Q48-M52 HydrophobicContact CG-SD 4.24Å; Q48-M52 VanDerWaalsContact O-CG 3.29Å; Q48-M52 WeakPolarHBondContact O-CG 3.33Å; Q48-M52 PolarHBondContact O-N 2.62Å; Q48-C175 PolarHBondContact NE2-O 3.45Å
49C94.7Very high86.9Confident52 Ų5252.7 Ų52.735%0.35131%0.313SS..Hα-helixtrans-61.5-45.1177-70.10000111.3A45 E46 A47 A51 M52 V53 A61A45-C49 PolarHBondContact O-N 3.17Å; A45-C49 PolarHBondContact O-SG 3.07Å; E46-C49 PolarHBondContact O-N 2.94Å; A47-C49 PolarHBondContact O-N 3.45Å; C49-A51 VanDerWaalsContact C-N 3.33Å; C49-A51 PolarHBondContact O-N 2.92Å; C49-M52 PolarHBondContact O-N 2.86Å; C49-V53 WeakPolarHBondContact O-CG2 3.47Å; C49-V53 PolarHBondContact O-N 2.91Å; C49-A61 HydrophobicContact CB-CB 3.87Å
50A95.1Very high88Confident1 Ų151.1 Ų51.11%0.00831%0.306CS..Hα-helixtrans-59.5-43.717600000111.6E46 A47 M52 V53 K54 T68 F71E46-A50 WeakPolarHBondContact O-CB 3.4Å; E46-A50 PolarHBondContact O-N 3.01Å; A47-A50 PolarHBondContact O-N 3.21Å; A50-M52 PolarHBondContact O-N 3.44Å; A50-V53 PolarHBondContact O-N 3.31Å; A50-K54 WeakPolarHBondContact O-CG 3.34Å; A50-K54 PolarHBondContact O-N 3.41Å; A50-T68 HydrophobicContact CB-CG2 4.5Å; A50-F71 HydrophobicContact CB-CB 3.79Å
51A94Very high89.5Confident17 Ų1746.7 Ų46.714%0.1428%0.279CS..Hα-helixtrans-61.1-42.3176.500000112.2A47 Q48 C49 V53 K54 A55 V174A47-A51 WeakPolarHBondContact O-CB 3.35Å; A47-A51 PolarHBondContact O-N 2.6Å; Q48-A51 PolarHBondContact O-N 2.87Å; C49-A51 VanDerWaalsContact C-N 3.33Å; C49-A51 PolarHBondContact O-N 2.92Å; A51-V53 PolarHBondContact O-N 3.25Å; A51-K54 PolarHBondContact O-N 3.21Å; A51-A55 VanDerWaalsContact O-CB 3.26Å; A51-A55 WeakPolarHBondContact O-CB 3.35Å; A51-A55 PolarHBondContact O-N 3.42Å; A51-V174 HydrophobicContact CB-CB 4.13Å; A51-V174 HydrophobicContact CB-CG1 4.12Å; A51-V174 HydrophobicContact CB-CG2 3.86Å
52M94.4Very high91.1Very high14 Ų1445.6 Ų45.67%0.06927%0.27CS..Hα-helixtrans-66.6-36.1177.6-67.7170.965.900112.9I37 Q48 C49 A50 A55 K56 L57 V58 L180 L182I37-M52 HydrophobicContact CD1-CE 3.46Å; I37-M52 VanDerWaalsContact CD1-CE 3.46Å; I37-M52 HydrophobicContact CD1-SD 3.27Å; I37-M52 WeakPolarHBondContact CD1-SD 3.34Å; Q48-M52 HydrophobicContact CG-SD 4.24Å; Q48-M52 VanDerWaalsContact O-CG 3.29Å; Q48-M52 WeakPolarHBondContact O-CG 3.33Å; Q48-M52 PolarHBondContact O-N 2.62Å; C49-M52 PolarHBondContact O-N 2.86Å; A50-M52 PolarHBondContact O-N 3.44Å; M52-A55 PolarHBondContact O-N 3Å; M52-K56 PolarHBondContact O-N 2.84Å; M52-L57 HydrophobicContact CB-CB 4.45Å; M52-L57 PolarHBondContact O-N 3.42Å; M52-V58 HydrophobicContact CB-CG2 3.81Å; M52-V58 HydrophobicContact CE-CG1 3.79Å; M52-L180 HydrophobicContact CG-CD1 4.18Å; M52-L180 HydrophobicContact SD-CD1 4.32Å; M52-L182 HydrophobicContact CE-CD1 3.68Å; M52-L182 HydrophobicContact CE-CD2 4.22Å; M52-L182 HydrophobicContact CE-CG 4.45Å
53V95.1Very high92.4Very high1 Ų142.3 Ų42.31%0.00625%0.248CC..Hα-helixtrans-66.2-46.2174.1174.60000110.6C49 A50 A51 A55 K56 V58 A60 A61 D74C49-V53 WeakPolarHBondContact O-CG2 3.47Å; C49-V53 PolarHBondContact O-N 2.91Å; A50-V53 PolarHBondContact O-N 3.31Å; A51-V53 PolarHBondContact O-N 3.25Å; V53-A55 VanDerWaalsContact C-N 3.31Å; V53-A55 PolarHBondContact O-N 3.47Å; V53-K56 PolarHBondContact O-N 2.93Å; V53-V58 HydrophobicContact CG2-CG2 3.69Å; V53-A60 VanDerWaalsContact CG2-C 3.41Å; V53-A61 HydrophobicContact CG2-CB 4.11Å; V53-A61 VanDerWaalsContact CG2-N 3.33Å; V53-D74 HydrophobicContact CG1-CB 3.92Å
54K93.1Very high93.1Very high92 Ų9243.5 Ų43.540%0.425%0.25SC..Hα-helixtrans-59.5-43175.4-72.9179.8-172.3173.50111.5A50 A51 K56 F71 G72A50-K54 WeakPolarHBondContact O-CG 3.34Å; A50-K54 PolarHBondContact O-N 3.41Å; A51-K54 PolarHBondContact O-N 3.21Å; K54-K56 PolarHBondContact O-N 2.85Å; K54-F71 WeakPolarHBondContact CE-O 3.24Å; K54-F71 PolarHBondContact NZ-O 3.49Å; K54-G72 WeakPolarHBondContact CE-O 3.32Å
55A92.2Very high93.4Very high51 Ų5142.7 Ų42.742%0.42125%0.249SC..THydrogen-bonded Turntrans-72.6-0.6177.100000114A51 M52 V53 L57 C177A51-A55 VanDerWaalsContact O-CB 3.26Å; A51-A55 WeakPolarHBondContact O-CB 3.35Å; A51-A55 PolarHBondContact O-N 3.42Å; M52-A55 PolarHBondContact O-N 3Å; V53-A55 VanDerWaalsContact C-N 3.31Å; V53-A55 PolarHBondContact O-N 3.47Å; A55-L57 HydrophobicContact CB-CD1 3.96Å; A55-L57 PolarHBondContact O-N 3.47Å; A55-C177 HydrophobicContact CB-CB 3.71Å
56K90.9Very high93.5Very high132 Ų13242.8 Ų42.857%0.57424%0.24SC*.THydrogen-bonded Turntrans59.222.4180-49.9-59.5172.2-161.90114.5M52 V53 K54 D74M52-K56 PolarHBondContact O-N 2.84Å; V53-K56 PolarHBondContact O-N 2.93Å; K54-K56 PolarHBondContact O-N 2.85Å; K56-D74 IonicContact NZ-OD2 3.68Å; K56-D74 PolarHBondContact NZ-OD2 3.28Å
57L91Very high93.5Very high65 Ų6542.8 Ų42.834%0.3424%0.24SC..SBendtrans-73.6-31.8171.3-82.2146.5000112M52 A55 C177M52-L57 HydrophobicContact CB-CB 4.45Å; M52-L57 PolarHBondContact O-N 3.42Å; A55-L57 HydrophobicContact CB-CD1 3.96Å; A55-L57 PolarHBondContact O-N 3.47Å; L57-C177 HydrophobicContact CD1-CB 3.48Å; L57-C177 VanDerWaalsContact CD1-CB 3.48Å; L57-C177 WeakPolarHBondContact CD1-O 3.2Å
58V93.1Very high93.5Very high44 Ų4442.6 Ų42.627%0.26724%0.239SC..SBendtrans-131.9155.9177.3-61.60000109.7M52 V53 L182M52-V58 HydrophobicContact CB-CG2 3.81Å; M52-V58 HydrophobicContact CE-CG1 3.79Å; V53-V58 HydrophobicContact CG2-CG2 3.69Å; V58-L182 HydrophobicContact CG1-CD1 3.71Å
59F93.7Very high93.6Very high97 Ų9742.7 Ų42.743%0.42524%0.24SC..SBendtrans-69-46.2-178.7171.7-104.5000112.6I75 E92F59-I75 HydrophobicContact CD2-CD1 4.44Å; F59-I75 HydrophobicContact CE1-CG2 4.4Å; F59-I75 HydrophobicContact CE2-CD1 3.9Å; F59-I75 HydrophobicContact CZ-CD1 3.95Å; F59-E92 WeakPolarHBondContact CZ-OE1 3Å
60A95.9Very high93.7Very high18 Ų1840.3 Ų40.315%0.14922%0.224CC..  trans-156.3158.6-174.600000111V53 I75 L77V53-A60 VanDerWaalsContact CG2-C 3.41Å; A60-I75 WeakPolarHBondContact CA-O 3.16Å; A60-I75 HydrophobicContact CB-CB 3.75Å; A60-I75 HydrophobicContact CB-CG2 3.59Å; A60-L77 HydrophobicContact CB-CD1 3.85Å; A60-L77 HydrophobicContact CB-CG 3.7Å
61A96.2Very high93.7Very high4 Ų440.4 Ų40.43%0.03322%0.224CC..EExtended strand (participates in β ladder)trans-86.3123.3170.800000109.4C49 V53 T68 I75 V76 L77C49-A61 HydrophobicContact CB-CB 3.87Å; V53-A61 HydrophobicContact CG2-CB 4.11Å; V53-A61 VanDerWaalsContact CG2-N 3.33Å; A61-T68 HydrophobicContact CB-CG2 3.64Å; A61-I75 PolarHBondContact N-O 2.99Å; A61-V76 CarbonylContact O-C 3.55Å; A61-V76 WeakPolarHBondContact O-CA 3.23Å; A61-L77 PolarHBondContact O-N 3.24Å
62A95.6Very high93.8Very high65 Ų6539.7 Ų39.754%0.53722%0.218SC..EExtended strand (participates in β ladder)trans-95.598.4179.500000110.1L77 V80A62-L77 WeakPolarHBondContact CA-O 3.2Å; A62-V80 HydrophobicContact CB-CB 4.08Å; A62-V80 HydrophobicContact CB-CG1 4.19Å; A62-V80 HydrophobicContact CB-CG2 3.96Å
63T94.1Very high93.9Very high43 Ų4339 Ų3926%0.26422%0.215SC..  trans-159.1150.6-175.7179.40000110.6D65 T68 V76 L77 R78T63-D65 WeakPolarHBondContact OG1-CB 3.4Å; T63-D65 PolarHBondContact OG1-N 2.68Å; T63-T68 HydrophobicContact CG2-CG2 3.93Å; T63-T68 VanDerWaalsContact CG2-OG1 3.22Å; T63-T68 WeakPolarHBondContact CG2-OG1 3.47Å; T63-V76 HydrophobicContact CG2-CG1 4.07Å; T63-L77 PolarHBondContact N-O 3.15Å; T63-R78 WeakPolarHBondContact O-CG 3.32Å
64D91.1Very high93.9Very high43 Ų4341.7 Ų41.723%0.2323%0.229CC..SBendtrans-91.5-8.8170.5-86.9-62.3000112.8R78 H79 F82D64-R78 PolarHBondContact O-NH2 3.13Å; D64-R78 IonicContact OD1-CZ 3.16Å; D64-R78 IonicContact OD1-NE 3.93Å; D64-R78 PolarHBondContact OD1-NE 2.94Å; D64-R78 IonicContact OD1-NH2 3.11Å; D64-R78 PolarHBondContact OD1-NH2 3.45Å; D64-H79 IonicContact OD1-CD2 3.95Å; D64-H79 PolarHBondContact OD1-CD2 2.96Å; D64-H79 IonicContact OD1-NE2 2.77Å; D64-F82 WeakPolarHBondContact OD2-CE1 3.36Å
65D91.8Very high94.1Very high68 Ų6838.4 Ų38.436%0.36422%0.216SC..  trans-73.8130.5171.8-150.2-36.5000110.5T63 D67 T68T63-D65 WeakPolarHBondContact OG1-CB 3.4Å; T63-D65 PolarHBondContact OG1-N 2.68Å; D65-D67 PolarHBondContact OD1-N 3.24Å; D65-T68 PolarHBondContact O-OG1 2.88Å
66M91.4Very high94.4Very high60 Ų6036 Ų3630%0.29620%0.196SC..SBendtrans-91.2-15.4-175.8-67.9-57.4-3800112.6T68 L69 R78 I93M66-T68 PolarHBondContact O-N 2.77Å; M66-T68 VanDerWaalsContact O-N 3.14Å; M66-L69 HydrophobicContact CE-CD1 3.2Å; M66-L69 HydrophobicContact CE-CG 3.8Å; M66-L69 WeakPolarHBondContact O-CB 3.4Å; M66-L69 PolarHBondContact O-N 3.16Å; M66-R78 PolarHBondContact SD-NH1 2.82Å; M66-R78 VanDerWaalsContact SD-NH1 3.43Å; M66-I93 HydrophobicContact CE-CD1 3.86Å; M66-I93 HydrophobicContact SD-CD1 4.08Å
67D92.4Very high94.6Very high24 Ų2431.2 Ų31.213%0.12818%0.176CC..Hα-helixtrans-65-19178-79.73.6000111.8D65 L69 T70 F71 F169D65-D67 PolarHBondContact OD1-N 3.24Å; D67-L69 PolarHBondContact O-N 3.11Å; D67-T70 CarbonylContact O-C 3.58Å; D67-T70 VanDerWaalsContact O-CA 3.32Å; D67-T70 WeakPolarHBondContact O-CA 3.28Å; D67-T70 WeakPolarHBondContact O-CB 3.46Å; D67-T70 PolarHBondContact O-N 2.93Å; D67-F71 WeakPolarHBondContact O-CD2 3.28Å; D67-F71 PolarHBondContact O-N 2.87Å; D67-F169 HydrophobicContact CB-CE1 4.23Å
68T94.5Very high94.8Very high0 Ų031.3 Ų31.30%017%0.172CC..Hα-helixtrans-55.3-33166.8-53.30000113.9E46 A50 A61 T63 D65 M66 G72 S73 V76E46-T68 WeakPolarHBondContact CB-OG1 3.4Å; E46-T68 PolarHBondContact OE2-N 2.77Å; E46-T68 PolarHBondContact OE2-OG1 3.12Å; A50-T68 HydrophobicContact CB-CG2 4.5Å; A61-T68 HydrophobicContact CB-CG2 3.64Å; T63-T68 HydrophobicContact CG2-CG2 3.93Å; T63-T68 VanDerWaalsContact CG2-OG1 3.22Å; T63-T68 WeakPolarHBondContact CG2-OG1 3.47Å; D65-T68 PolarHBondContact O-OG1 2.88Å; M66-T68 PolarHBondContact O-N 2.77Å; M66-T68 VanDerWaalsContact O-N 3.14Å; T68-G72 PolarHBondContact O-N 3.2Å; T68-S73 VanDerWaalsContact O-CB 3.26Å; T68-S73 WeakPolarHBondContact O-CB 2.77Å; T68-S73 PolarHBondContact O-N 3.3Å; T68-S73 VanDerWaalsContact O-N 3.08Å; T68-V76 HydrophobicContact CG2-CG2 3.85Å
69L95.8Very high94.6Very high6 Ų630 Ų303%0.03116%0.163CC..Hα-helixtrans-72.8-34.7170.8-73.4-178.3000111.7M66 D67 F71 G72 V76 I93 L95 Q106 F109M66-L69 HydrophobicContact CE-CD1 3.2Å; M66-L69 HydrophobicContact CE-CG 3.8Å; M66-L69 WeakPolarHBondContact O-CB 3.4Å; M66-L69 PolarHBondContact O-N 3.16Å; D67-L69 PolarHBondContact O-N 3.11Å; L69-F71 VanDerWaalsContact C-N 3.35Å; L69-G72 VanDerWaalsContact O-CA 3.23Å; L69-G72 WeakPolarHBondContact O-CA 3.43Å; L69-G72 PolarHBondContact O-N 3.4Å; L69-V76 HydrophobicContact CD2-CB 4.2Å; L69-V76 HydrophobicContact CD2-CG2 3.56Å; L69-V76 HydrophobicContact CG-CG2 3.94Å; L69-I93 HydrophobicContact CD1-CG2 3.83Å; L69-I93 HydrophobicContact CD2-CG2 4.43Å; L69-L95 HydrophobicContact CB-CD1 4.43Å; L69-L95 HydrophobicContact CD2-CB 4.1Å; L69-L95 HydrophobicContact CD2-CD1 4.32Å; L69-Q106 PolarHBondContact O-NE2 3.14Å; L69-F109 HydrophobicContact CB-CE1 4.1Å; L69-F109 HydrophobicContact CB-CZ 4.36Å
70T95.9Very high94.3Very high2 Ų228.7 Ų28.71%0.01216%0.163CC..Hα-helixtrans-65.2-39.6177.7-45.90000110.7D67 G72 Q106 V110 C113 F169D67-T70 CarbonylContact O-C 3.58Å; D67-T70 VanDerWaalsContact O-CA 3.32Å; D67-T70 WeakPolarHBondContact O-CA 3.28Å; D67-T70 WeakPolarHBondContact O-CB 3.46Å; D67-T70 PolarHBondContact O-N 2.93Å; T70-G72 PolarHBondContact O-N 3.12Å; T70-G72 VanDerWaalsContact O-N 3.14Å; T70-Q106 PolarHBondContact O-NE2 3.49Å; T70-V110 HydrophobicContact CG2-CB 4.37Å; T70-V110 HydrophobicContact CG2-CG1 4.37Å; T70-V110 HydrophobicContact CG2-CG2 3.95Å; T70-C113 HydrophobicContact CG2-CB 3.72Å; T70-C113 PolarHBondContact OG1-SG 2.85Å; T70-F169 HydrophobicContact CG2-CB 4.15Å; T70-F169 HydrophobicContact CG2-CD1 3.48Å; T70-F169 VanDerWaalsContact CG2-CD1 3.48Å; T70-F169 HydrophobicContact CG2-CD2 3.79Å; T70-F169 HydrophobicContact CG2-CE1 3.65Å; T70-F169 HydrophobicContact CG2-CE2 3.94Å; T70-F169 HydrophobicContact CG2-CG 3.55Å; T70-F169 HydrophobicContact CG2-CZ 3.86Å
71F95.8Very high93.6Very high2 Ų232.8 Ų32.81%0.00919%0.191CC..THydrogen-bonded Turntrans-65.2-8.6167.3-72-65.4000113.8E44 E46 A47 A50 K54 D67 L69 Y120 F169 P172E44-F71 HydrophobicContact CB-CZ 4.46Å; E44-F71 HydrophobicContact CG-CZ 4.47Å; E46-F71 HydrophobicContact CB-CD2 4.43Å; E46-F71 HydrophobicContact CG-CD2 3.93Å; E46-F71 HydrophobicContact CG-CE2 3.69Å; E46-F71 WeakPolarHBondContact OE1-CE2 3.39Å; A47-F71 HydrophobicContact CB-CD1 3.6Å; A47-F71 HydrophobicContact CB-CD2 4.14Å; A47-F71 HydrophobicContact CB-CE1 3.7Å; A47-F71 HydrophobicContact CB-CE2 4.24Å; A47-F71 HydrophobicContact CB-CG 3.83Å; A47-F71 HydrophobicContact CB-CZ 4.03Å; A50-F71 HydrophobicContact CB-CB 3.79Å; K54-F71 WeakPolarHBondContact CE-O 3.24Å; K54-F71 PolarHBondContact NZ-O 3.49Å; D67-F71 WeakPolarHBondContact O-CD2 3.28Å; D67-F71 PolarHBondContact O-N 2.87Å; L69-F71 VanDerWaalsContact C-N 3.35Å; F71-Y120 HydrophobicContact CZ-CE2 4.28Å; F71-F169 AromaticContact CD1-CD1 3.74Å; F71-F169 HydrophobicContact CD1-CD1 3.74Å; F71-F169 HydrophobicContact CD1-CE1 4.47Å; F71-F169 HydrophobicContact CD2-CD1 4.1Å; F71-F169 HydrophobicContact CD2-CE1 4.13Å; F71-F169 AromaticContact CE1-CD1 3.59Å; F71-F169 HydrophobicContact CE1-CD1 3.59Å; F71-F169 HydrophobicContact CE1-CE1 4.11Å; F71-F169 HydrophobicContact CE1-CG 4.45Å; F71-F169 AromaticContact CE2-CD1 3.95Å; F71-F169 HydrophobicContact CE2-CD1 3.95Å; F71-F169 AromaticContact CE2-CE1 3.71Å; F71-F169 HydrophobicContact CE2-CE1 3.71Å; F71-F169 AromaticContact CG-CD1 3.99Å; F71-F169 HydrophobicContact CG-CD1 3.99Å; F71-F169 HydrophobicContact CG-CE1 4.48Å; F71-F169 AromaticContact CZ-CD1 3.7Å; F71-F169 HydrophobicContact CZ-CD1 3.7Å; F71-F169 AromaticContact CZ-CE1 3.7Å; F71-F169 HydrophobicContact CZ-CE1 3.7Å; F71-P172 HydrophobicContact CD1-CB 3.93Å; F71-P172 HydrophobicContact CD1-CG 4.01Å; F71-P172 HydrophobicContact CE1-CB 3.94Å
72G95.4Very high92.9Very high3 Ų336 Ų363%0.03120%0.204CC..THydrogen-bonded Turntrans90.923.8171.500000114.9K54 T68 L69 T70 D74K54-G72 WeakPolarHBondContact CE-O 3.32Å; T68-G72 PolarHBondContact O-N 3.2Å; L69-G72 VanDerWaalsContact O-CA 3.23Å; L69-G72 WeakPolarHBondContact O-CA 3.43Å; L69-G72 PolarHBondContact O-N 3.4Å; T70-G72 PolarHBondContact O-N 3.12Å; T70-G72 VanDerWaalsContact O-N 3.14Å; G72-D74 PolarHBondContact O-N 3.35Å
73S96.7Very high92Very high0 Ų036.7 Ų36.70%020%0.204CC..  trans-58.8125.3173.6-174.10000110.8T68 I75 L95T68-S73 VanDerWaalsContact O-CB 3.26Å; T68-S73 WeakPolarHBondContact O-CB 2.77Å; T68-S73 PolarHBondContact O-N 3.3Å; T68-S73 VanDerWaalsContact O-N 3.08Å; S73-I75 VanDerWaalsContact C-N 3.25Å; S73-I75 PolarHBondContact O-N 3.03Å; S73-I75 PolarHBondContact OG-O 3.37Å; S73-L95 WeakPolarHBondContact O-CB 3.36Å
74D96.3Very high91Very high57 Ų5743.3 Ų43.331%0.30523%0.233SC..SBendtrans-61.3-36.2-178.9-69.7-28.2000112.5V53 K56 G72 H94 L95V53-D74 HydrophobicContact CG1-CB 3.92Å; K56-D74 IonicContact NZ-OD2 3.68Å; K56-D74 PolarHBondContact NZ-OD2 3.28Å; G72-D74 PolarHBondContact O-N 3.35Å; D74-H94 WeakPolarHBondContact O-CA 3.4Å; D74-L95 PolarHBondContact O-N 3.5Å
75I96.9Very high90.2Very high23 Ų2345.4 Ų45.412%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-137.7127.6-176.5-48-178.1000109.3F59 A60 A61 S73 E92 I93F59-I75 HydrophobicContact CD2-CD1 4.44Å; F59-I75 HydrophobicContact CE1-CG2 4.4Å; F59-I75 HydrophobicContact CE2-CD1 3.9Å; F59-I75 HydrophobicContact CZ-CD1 3.95Å; A60-I75 WeakPolarHBondContact CA-O 3.16Å; A60-I75 HydrophobicContact CB-CB 3.75Å; A60-I75 HydrophobicContact CB-CG2 3.59Å; A61-I75 PolarHBondContact N-O 2.99Å; S73-I75 VanDerWaalsContact C-N 3.25Å; S73-I75 PolarHBondContact O-N 3.03Å; S73-I75 PolarHBondContact OG-O 3.37Å; I75-E92 HydrophobicContact CG2-CG 3.76Å; I75-I93 WeakPolarHBondContact CA-O 3.27Å
76V97.2Very high89.5Confident0 Ų048.8 Ų48.80%027%0.267CS..EExtended strand (participates in β ladder)trans-120.4131.5173.6177.20000109.7A61 T63 T68 L69 R78 I93A61-V76 CarbonylContact O-C 3.55Å; A61-V76 WeakPolarHBondContact O-CA 3.23Å; T63-V76 HydrophobicContact CG2-CG1 4.07Å; T68-V76 HydrophobicContact CG2-CG2 3.85Å; L69-V76 HydrophobicContact CD2-CB 4.2Å; L69-V76 HydrophobicContact CD2-CG2 3.56Å; L69-V76 HydrophobicContact CG-CG2 3.94Å; V76-R78 HydrophobicContact CG1-CG 4.45Å; V76-I93 PolarHBondContact N-O 3.39Å; V76-I93 PolarHBondContact O-N 3Å
77L96.4Very high88.8Confident31 Ų3154.8 Ų54.816%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-108.5119.7175.7-62.9177000110.1A60 A61 A62 T63 V80 I90 K91 E92A60-L77 HydrophobicContact CB-CD1 3.85Å; A60-L77 HydrophobicContact CB-CG 3.7Å; A61-L77 PolarHBondContact O-N 3.24Å; A62-L77 WeakPolarHBondContact CA-O 3.2Å; T63-L77 PolarHBondContact N-O 3.15Å; L77-V80 HydrophobicContact CB-CG2 3.59Å; L77-I90 HydrophobicContact CB-CG2 4.2Å; L77-I90 HydrophobicContact CD2-CG2 4.08Å; L77-K91 CarbonylContact C-O 3.54Å; L77-K91 WeakPolarHBondContact CA-O 3.4Å; L77-E92 HydrophobicContact CD2-CB 3.69Å; L77-E92 HydrophobicContact CD2-CG 3.73Å
78R94.1Very high88.3Confident68 Ų6857.7 Ų57.726%0.25731%0.305SS..EExtended strand (participates in β ladder)trans-100.7154.4177-63.8-165.960.51594.9112.6T63 D64 M66 V76 V80 I90 K91 I93T63-R78 WeakPolarHBondContact O-CG 3.32Å; D64-R78 PolarHBondContact O-NH2 3.13Å; D64-R78 IonicContact OD1-CZ 3.16Å; D64-R78 IonicContact OD1-NE 3.93Å; D64-R78 PolarHBondContact OD1-NE 2.94Å; D64-R78 IonicContact OD1-NH2 3.11Å; D64-R78 PolarHBondContact OD1-NH2 3.45Å; M66-R78 PolarHBondContact SD-NH1 2.82Å; M66-R78 VanDerWaalsContact SD-NH1 3.43Å; V76-R78 HydrophobicContact CG1-CG 4.45Å; R78-V80 PolarHBondContact O-N 2.96Å; R78-I90 WeakPolarHBondContact O-CA 3.41Å; R78-K91 HydrophobicContact CB-CB 4.25Å; R78-K91 PolarHBondContact N-O 2.94Å; R78-K91 PolarHBondContact O-N 2.89Å; R78-K91 VanDerWaalsContact O-N 3.14Å; R78-I93 HydrophobicContact CG-CD1 4.31Å
79H89.9Confident88.1Confident17 Ų1762.2 Ų62.28%0.07934%0.335CS..SBendtrans66.218.2-179.2-38.5142.5000115.1D64 S81 F82 M88 P89D64-H79 IonicContact OD1-CD2 3.95Å; D64-H79 PolarHBondContact OD1-CD2 2.96Å; D64-H79 IonicContact OD1-NE2 2.77Å; H79-S81 VanDerWaalsContact C-N 3.33Å; H79-S81 PolarHBondContact O-N 3.35Å; H79-F82 HydrophobicContact CB-CB 4.39Å; H79-F82 HydrophobicContact CB-CD2 3.95Å; H79-F82 HydrophobicContact CB-CE2 4.34Å; H79-F82 HydrophobicContact CB-CG 4.05Å; H79-F82 AromaticContact CD2-CE2 3.66Å; H79-F82 AromaticContact CD2-CZ 3.85Å; H79-F82 PolarHBondContact O-N 3.05Å; H79-M88 WeakPolarHBondContact CE1-CE 3.26Å; H79-P89 PolarHBondContact ND1-O 3.14Å
80V87.4Confident87.8Confident68 Ų6866.9 Ų66.941%0.41236%0.359SS..THydrogen-bonded Turntrans-67-36.4179.4-178.40000111.5A62 L77 R78 F82 I90A62-V80 HydrophobicContact CB-CB 4.08Å; A62-V80 HydrophobicContact CB-CG1 4.19Å; A62-V80 HydrophobicContact CB-CG2 3.96Å; L77-V80 HydrophobicContact CB-CG2 3.59Å; R78-V80 PolarHBondContact O-N 2.96Å; V80-F82 VanDerWaalsContact C-N 3.34Å; V80-I90 HydrophobicContact CG2-CG2 4.12Å
81S81Confident87.7Confident105 Ų10571.7 Ų71.773%0.73438%0.379SS*.THydrogen-bonded Turntrans-87.7118058.50000113.7H79H79-S81 VanDerWaalsContact C-N 3.33Å; H79-S81 PolarHBondContact O-N 3.35Å
82F80.9Confident87.7Confident72 Ų7275.9 Ų75.932%0.31640%0.399SS..SBendtrans-72.3138.3-179.2-79.220.8000109.8D64 H79 V80 E84 K86 M88D64-F82 WeakPolarHBondContact OD2-CE1 3.36Å; H79-F82 HydrophobicContact CB-CB 4.39Å; H79-F82 HydrophobicContact CB-CD2 3.95Å; H79-F82 HydrophobicContact CB-CE2 4.34Å; H79-F82 HydrophobicContact CB-CG 4.05Å; H79-F82 AromaticContact CD2-CE2 3.66Å; H79-F82 AromaticContact CD2-CZ 3.85Å; H79-F82 PolarHBondContact O-N 3.05Å; V80-F82 VanDerWaalsContact C-N 3.34Å; F82-E84 PolarHBondContact O-N 3.43Å; F82-K86 HydrophobicContact CD2-CD 4.35Å; F82-M88 HydrophobicContact CD2-CB 4.35Å; F82-M88 HydrophobicContact CD2-SD 3.77Å; F82-M88 HydrophobicContact CE2-CE 4.14Å; F82-M88 HydrophobicContact CE2-SD 3.7Å
83S76.1Confident87.7Confident78 Ų7877.6 Ų77.655%0.54541%0.407SS..  trans-53.4135.2176.5177.70000110.8A85 K86S83-A85 PolarHBondContact O-N 3.27Å; S83-A85 PolarHBondContact OG-N 3.03Å; S83-K86 PolarHBondContact O-N 3.08Å
84E72.9Confident87.7Confident183 Ų18381 Ų8186%0.85542%0.423SS*.G310 helixtrans-50.2-29.7174.9-68.4-174.5149.500112.5F82 K86 K87F82-E84 PolarHBondContact O-N 3.43Å; E84-K86 PolarHBondContact O-N 3.26Å; E84-K87 WeakPolarHBondContact O-CG 3.45Å; E84-K87 PolarHBondContact O-N 2.89Å; E84-K87 VanDerWaalsContact O-N 3.11Å
85A74.8Confident87.7Confident86 Ų8678.8 Ų78.871%0.71141%0.411SS*.G310 helixtrans-59.8-30.2176.900000113.4S83 K87S83-A85 PolarHBondContact O-N 3.27Å; S83-A85 PolarHBondContact OG-N 3.03Å; A85-K87 VanDerWaalsContact C-N 3.33Å
86K76.9Confident87.7Confident140 Ų14081.7 Ų81.761%0.60943%0.433SS*.G310 helixtrans-77.5-16.8179-71.6-172.6177.1-179.60113.3F82 S83 E84 M88F82-K86 HydrophobicContact CD2-CD 4.35Å; S83-K86 PolarHBondContact O-N 3.08Å; E84-K86 PolarHBondContact O-N 3.26Å; K86-M88 PolarHBondContact O-N 3.48Å
87K77Confident87.7Confident185 Ų18584.4 Ų84.480%0.80446%0.455SS*.  trans45.730.1179.2-61.7-174.9177.1-179.70114.8E84 A85E84-K87 WeakPolarHBondContact O-CG 3.45Å; E84-K87 PolarHBondContact O-N 2.89Å; E84-K87 VanDerWaalsContact O-N 3.11Å; A85-K87 VanDerWaalsContact C-N 3.33Å
88M82.6Confident87.7Confident86 Ų8684.8 Ų84.842%0.42446%0.459SS..PPolyproline II helixtrans-75.6132.1176.5-80.1-17463.800109.2H79 F82 K86H79-M88 WeakPolarHBondContact CE1-CE 3.26Å; F82-M88 HydrophobicContact CD2-CB 4.35Å; F82-M88 HydrophobicContact CD2-SD 3.77Å; F82-M88 HydrophobicContact CE2-CE 4.14Å; F82-M88 HydrophobicContact CE2-SD 3.7Å; K86-M88 PolarHBondContact O-N 3.48Å
89P89.2Confident87.8Confident95 Ų9583 Ų8362%0.61745%0.454SS*.PPolyproline II helixtrans-65.7140.9176.827.7-33.4000109.9H79 K91H79-P89 PolarHBondContact ND1-O 3.14Å; P89-K91 PolarHBondContact O-N 2.87Å
90I91.1Very high88.2Confident104 Ų10487.8 Ų87.853%0.53348%0.477SS..PPolyproline II helixtrans-61.5128.6168.9-62.1173.4000107.2L77 R78 V80L77-I90 HydrophobicContact CB-CG2 4.2Å; L77-I90 HydrophobicContact CD2-CG2 4.08Å; R78-I90 WeakPolarHBondContact O-CA 3.41Å; V80-I90 HydrophobicContact CG2-CG2 4.12Å
91K92.9Very high88.5Confident103 Ų10387.4 Ų87.445%0.44849%0.487SS..EExtended strand (participates in β ladder)trans-101.4127.8174.6-68-176.7175.8177.40109.2L77 R78 P89L77-K91 CarbonylContact C-O 3.54Å; L77-K91 WeakPolarHBondContact CA-O 3.4Å; R78-K91 HydrophobicContact CB-CB 4.25Å; R78-K91 PolarHBondContact N-O 2.94Å; R78-K91 PolarHBondContact O-N 2.89Å; R78-K91 VanDerWaalsContact O-N 3.14Å; P89-K91 PolarHBondContact O-N 2.87Å
92E95.4Very high89.2Confident89 Ų8984.5 Ų84.542%0.41646%0.463SS..EExtended strand (participates in β ladder)trans-103.2127.7175.3-175.2170.3172.500109.5F59 I75 L77 H94F59-E92 WeakPolarHBondContact CZ-OE1 3Å; I75-E92 HydrophobicContact CG2-CG 3.76Å; L77-E92 HydrophobicContact CD2-CB 3.69Å; L77-E92 HydrophobicContact CD2-CG 3.73Å; E92-H94 IonicContact OE1-CE1 3.24Å; E92-H94 PolarHBondContact OE1-CE1 3.19Å; E92-H94 IonicContact OE1-NE2 3.67Å; E92-H94 PolarHBondContact OE1-NE2 2.87Å; E92-H94 VanDerWaalsContact OE1-NE2 3.16Å
93I96.1Very high90Very high40 Ų4087.7 Ų87.721%0.20548%0.479CS..EExtended strand (participates in β ladder)trans-122.2118.9-179.4-52.4172.7000107.8M66 L69 I75 V76 R78 V98M66-I93 HydrophobicContact CE-CD1 3.86Å; M66-I93 HydrophobicContact SD-CD1 4.08Å; L69-I93 HydrophobicContact CD1-CG2 3.83Å; L69-I93 HydrophobicContact CD2-CG2 4.43Å; I75-I93 WeakPolarHBondContact CA-O 3.27Å; V76-I93 PolarHBondContact N-O 3.39Å; V76-I93 PolarHBondContact O-N 3Å; R78-I93 HydrophobicContact CG-CD1 4.31Å; I93-V98 HydrophobicContact CG2-CG2 3.81Å
94H96.6Very high91Very high72 Ų7284.5 Ų84.533%0.33346%0.455SS..EExtended strand (participates in β ladder)trans-95.3122.5174-63-89000109.8D74 E92 S96 A97 V98D74-H94 WeakPolarHBondContact O-CA 3.4Å; E92-H94 IonicContact OE1-CE1 3.24Å; E92-H94 PolarHBondContact OE1-CE1 3.19Å; E92-H94 IonicContact OE1-NE2 3.67Å; E92-H94 PolarHBondContact OE1-NE2 2.87Å; E92-H94 VanDerWaalsContact OE1-NE2 3.16Å; H94-S96 VanDerWaalsContact C-N 3.26Å; H94-S96 PolarHBondContact O-N 3.17Å; H94-A97 HydrophobicContact CB-CB 4.11Å; H94-A97 PolarHBondContact O-N 3.46Å; H94-A97 VanDerWaalsContact O-N 3.13Å; H94-V98 PolarHBondContact O-N 3.21Å; H94-V98 VanDerWaalsContact O-N 3.14Å
95L96.7Very high92.2Very high9 Ų979 Ų795%0.04743%0.434CS..Hα-helixtrans-58.3-40.2177.8179.160.8000111.7L69 S73 D74 A97 V98 L99 F109L69-L95 HydrophobicContact CB-CD1 4.43Å; L69-L95 HydrophobicContact CD2-CB 4.1Å; L69-L95 HydrophobicContact CD2-CD1 4.32Å; S73-L95 WeakPolarHBondContact O-CB 3.36Å; D74-L95 PolarHBondContact O-N 3.5Å; L95-A97 VanDerWaalsContact C-N 3.3Å; L95-A97 PolarHBondContact O-N 2.76Å; L95-V98 WeakPolarHBondContact O-CB 3.39Å; L95-V98 PolarHBondContact O-N 3.27Å; L95-V98 VanDerWaalsContact O-N 3.1Å; L95-L99 HydrophobicContact CD1-CD1 4.29Å; L95-L99 HydrophobicContact CD1-CD2 4.32Å; L95-L99 HydrophobicContact CD1-CG 4.02Å; L95-L99 HydrophobicContact CG-CD1 4.04Å; L95-L99 HydrophobicContact CG-CG 4.19Å; L95-L99 WeakPolarHBondContact O-CG 3.46Å; L95-L99 PolarHBondContact O-N 3.04Å; L95-F109 HydrophobicContact CD1-CD1 4.37Å; L95-F109 HydrophobicContact CD1-CE1 4.31Å
96S96.3Very high93.2Very high85 Ų8577 Ų7759%0.59441%0.41SS*.Hα-helixtrans-57.7-40.2176.957.50000113.1H94 Q100H94-S96 VanDerWaalsContact C-N 3.26Å; H94-S96 PolarHBondContact O-N 3.17Å; S96-Q100 VanDerWaalsContact O-CB 3.23Å; S96-Q100 WeakPolarHBondContact O-CB 3.37Å; S96-Q100 PolarHBondContact O-N 3.38Å
97A97.1Very high94.2Very high56 Ų5676.3 Ų76.346%0.46341%0.409SS..Hα-helixtrans-70.8-36.117700000111.9H94 L95 G101H94-A97 HydrophobicContact CB-CB 4.11Å; H94-A97 PolarHBondContact O-N 3.46Å; H94-A97 VanDerWaalsContact O-N 3.13Å; L95-A97 VanDerWaalsContact C-N 3.3Å; L95-A97 PolarHBondContact O-N 2.76Å; A97-G101 PolarHBondContact O-N 2.81Å
98V96.2Very high95.2Very high39 Ų3968.4 Ų68.424%0.23638%0.375CS..Hα-helixtrans-64.7-51.8174.9174.70000110.5I93 H94 L95 Q100 G101 L102 F109I93-V98 HydrophobicContact CG2-CG2 3.81Å; H94-V98 PolarHBondContact O-N 3.21Å; H94-V98 VanDerWaalsContact O-N 3.14Å; L95-V98 WeakPolarHBondContact O-CB 3.39Å; L95-V98 PolarHBondContact O-N 3.27Å; L95-V98 VanDerWaalsContact O-N 3.1Å; V98-Q100 PolarHBondContact O-N 3.32Å; V98-G101 PolarHBondContact O-N 3.14Å; V98-L102 HydrophobicContact CG1-CD1 3.97Å; V98-L102 WeakPolarHBondContact O-CG 3.36Å; V98-L102 PolarHBondContact O-N 3.38Å; V98-F109 HydrophobicContact CG1-CD2 4.42Å; V98-F109 HydrophobicContact CG1-CE2 3.91Å; V98-F109 HydrophobicContact CG1-CZ 4.42Å
99L97Very high95.9Very high30 Ų3065.2 Ų65.216%0.15736%0.359CS..Hα-helixtrans-59.9-44.5178.7-67.5-177.6000111.6L95 L102 E103 F104 F109L95-L99 HydrophobicContact CD1-CD1 4.29Å; L95-L99 HydrophobicContact CD1-CD2 4.32Å; L95-L99 HydrophobicContact CD1-CG 4.02Å; L95-L99 HydrophobicContact CG-CD1 4.04Å; L95-L99 HydrophobicContact CG-CG 4.19Å; L95-L99 WeakPolarHBondContact O-CG 3.46Å; L95-L99 PolarHBondContact O-N 3.04Å; L99-L102 PolarHBondContact O-N 3.48Å; L99-E103 WeakPolarHBondContact O-CA 3.48Å; L99-E103 PolarHBondContact O-N 2.78Å; L99-F104 WeakPolarHBondContact CB-O 3.45Å; L99-F104 HydrophobicContact CD2-CB 4.47Å; L99-F104 PolarHBondContact O-N 2.91Å; L99-F109 HydrophobicContact CD2-CB 3.5Å; L99-F109 HydrophobicContact CD2-CD1 4.49Å; L99-F109 HydrophobicContact CD2-CD2 4.35Å; L99-F109 HydrophobicContact CD2-CG 3.87Å
100Q96.9Very high96.3Very high118 Ų11860.7 Ų60.755%0.55133%0.329SS*.Hα-helixtrans-64-41.3176.2-174.2179.23600112.2S96 V98 L102 E103S96-Q100 VanDerWaalsContact O-CB 3.23Å; S96-Q100 WeakPolarHBondContact O-CB 3.37Å; S96-Q100 PolarHBondContact O-N 3.38Å; V98-Q100 PolarHBondContact O-N 3.32Å; Q100-L102 VanDerWaalsContact C-N 3.32Å; Q100-L102 PolarHBondContact O-N 3.07Å; Q100-E103 PolarHBondContact O-N 3.48Å
101G95.8Very high96.5Very high61 Ų6155.9 Ų55.963%0.62931%0.305SS*.Hα-helixtrans-67.5-32.3179.300000113.3A97 V98A97-G101 PolarHBondContact O-N 2.81Å; V98-G101 PolarHBondContact O-N 3.14Å
102L95.4Very high96.7Very high43 Ų4351.3 Ų51.323%0.22529%0.285CS..Hα-helixtrans-87.8-16.5176.5-67175000113.5V98 L99 Q100 F104 F109 L112 K137V98-L102 HydrophobicContact CG1-CD1 3.97Å; V98-L102 WeakPolarHBondContact O-CG 3.36Å; V98-L102 PolarHBondContact O-N 3.38Å; L99-L102 PolarHBondContact O-N 3.48Å; Q100-L102 VanDerWaalsContact C-N 3.32Å; Q100-L102 PolarHBondContact O-N 3.07Å; L102-F104 VanDerWaalsContact C-N 3.33Å; L102-F104 HydrophobicContact CB-CB 4.26Å; L102-F104 HydrophobicContact CB-CD2 3.9Å; L102-F104 HydrophobicContact CB-CE2 4.4Å; L102-F104 HydrophobicContact CB-CG 3.96Å; L102-F104 HydrophobicContact CD1-CD2 4.23Å; L102-F109 HydrophobicContact CD1-CD2 4.09Å; L102-F109 HydrophobicContact CD1-CE2 4.26Å; L102-L112 HydrophobicContact CD1-CD2 4.17Å; L102-K137 WeakPolarHBondContact O-CE 2.98Å; L102-K137 PolarHBondContact O-NZ 2.94Å
103E96.6Very high96.8Very high139 Ų13947.8 Ų47.865%0.6527%0.27SS*.THydrogen-bonded Turntrans62.439.3-171.4-55.9171.4176.300112.4L99 Q100 R140L99-E103 WeakPolarHBondContact O-CA 3.48Å; L99-E103 PolarHBondContact O-N 2.78Å; Q100-E103 PolarHBondContact O-N 3.48Å; E103-R140 PolarHBondContact O-NH1 3.21Å
104F97.5Very high96.7Very high12 Ų1245.9 Ų45.95%0.05326%0.26CS..  trans-112.7149.1-176.9-72-8000112.9L99 L102 E108 L112 V133 V136 K137L99-F104 WeakPolarHBondContact CB-O 3.45Å; L99-F104 HydrophobicContact CD2-CB 4.47Å; L99-F104 PolarHBondContact O-N 2.91Å; L102-F104 VanDerWaalsContact C-N 3.33Å; L102-F104 HydrophobicContact CB-CB 4.26Å; L102-F104 HydrophobicContact CB-CD2 3.9Å; L102-F104 HydrophobicContact CB-CE2 4.4Å; L102-F104 HydrophobicContact CB-CG 3.96Å; L102-F104 HydrophobicContact CD1-CD2 4.23Å; F104-E108 VanDerWaalsContact CA-OE2 3.24Å; F104-E108 WeakPolarHBondContact CA-OE2 3.43Å; F104-E108 HydrophobicContact CB-CB 3.93Å; F104-E108 HydrophobicContact CD1-CB 4.36Å; F104-E108 HydrophobicContact CD2-CB 4.45Å; F104-E108 HydrophobicContact CG-CB 4.04Å; F104-L112 HydrophobicContact CD2-CD2 4.42Å; F104-L112 HydrophobicContact CE2-CB 4.27Å; F104-L112 HydrophobicContact CE2-CD2 4.01Å; F104-L112 HydrophobicContact CE2-CG 4.49Å; F104-V133 HydrophobicContact CZ-CG1 4.35Å; F104-V136 HydrophobicContact CD1-CG1 4.4Å; F104-V136 HydrophobicContact CD2-CG1 4.18Å; F104-V136 HydrophobicContact CE1-CB 4.34Å; F104-V136 HydrophobicContact CE1-CG1 3.85Å; F104-V136 HydrophobicContact CE2-CB 3.95Å; F104-V136 HydrophobicContact CE2-CG1 3.59Å; F104-V136 HydrophobicContact CZ-CB 3.61Å; F104-V136 HydrophobicContact CZ-CG1 3.44Å; F104-V136 VanDerWaalsContact CZ-CG1 3.44Å; F104-K137 HydrophobicContact CE1-CB 4.26Å; F104-K137 HydrophobicContact CE1-CD 4.5Å; F104-K137 HydrophobicContact CE1-CG 3.37Å; F104-K137 HydrophobicContact CZ-CG 3.7Å
105T97.3Very high96.7Very high67 Ų6742.4 Ų42.441%0.41124%0.244SC..  trans-77.6168.5160.768.70000110.3E107 E108 F109T105-E107 VanDerWaalsContact C-N 3.28Å; T105-E107 PolarHBondContact O-N 3.26Å; T105-E108 PolarHBondContact N-OE2 3.08Å; T105-E108 PolarHBondContact O-N 2.93Å; T105-E108 VanDerWaalsContact OG1-CD 3.28Å; T105-E108 WeakPolarHBondContact OG1-CG 3.38Å; T105-E108 PolarHBondContact OG1-N 3.37Å; T105-F109 WeakPolarHBondContact O-CB 3.26Å; T105-F109 PolarHBondContact O-N 3.05Å
106Q96.5Very high96.5Very high44 Ų4445.2 Ų45.221%0.20626%0.259CS..Hα-helixtrans-60.7-39.8174.7-175.562.819.300111.6L69 T70 F109 V110 L170L69-Q106 PolarHBondContact O-NE2 3.14Å; T70-Q106 PolarHBondContact O-NE2 3.49Å; Q106-F109 PolarHBondContact O-N 3.05Å; Q106-V110 WeakPolarHBondContact O-CG2 3.33Å; Q106-V110 PolarHBondContact O-N 2.83Å; Q106-L170 HydrophobicContact CG-CD2 4.18Å
107E97.4Very high96.2Very high126 Ų12642.9 Ų42.959%0.58925%0.248SC*.Hα-helixtrans-63.3-43.3178.4-64.1-179.8-158.900111.8T105 F109 V110 D111 L170T105-E107 VanDerWaalsContact C-N 3.28Å; T105-E107 PolarHBondContact O-N 3.26Å; E107-F109 VanDerWaalsContact C-N 3.31Å; E107-F109 PolarHBondContact O-N 2.83Å; E107-V110 PolarHBondContact O-N 3.43Å; E107-D111 PolarHBondContact O-N 3.39Å; E107-L170 HydrophobicContact CG-CD1 3.95Å; E107-L170 HydrophobicContact CG-CD2 4.24Å
108E97.7Very high95.8Very high19 Ų1940.9 Ų40.99%0.08923%0.231CC..Hα-helixtrans-64.1-37.1175.1-76.4158.4-17100112.1F104 T105 D111 L112 V136 R140F104-E108 VanDerWaalsContact CA-OE2 3.24Å; F104-E108 WeakPolarHBondContact CA-OE2 3.43Å; F104-E108 HydrophobicContact CB-CB 3.93Å; F104-E108 HydrophobicContact CD1-CB 4.36Å; F104-E108 HydrophobicContact CD2-CB 4.45Å; F104-E108 HydrophobicContact CG-CB 4.04Å; T105-E108 PolarHBondContact N-OE2 3.08Å; T105-E108 PolarHBondContact O-N 2.93Å; T105-E108 VanDerWaalsContact OG1-CD 3.28Å; T105-E108 WeakPolarHBondContact OG1-CG 3.38Å; T105-E108 PolarHBondContact OG1-N 3.37Å; E108-D111 PolarHBondContact O-N 3.02Å; E108-L112 PolarHBondContact O-N 3.23Å; E108-V136 HydrophobicContact CB-CG1 4.03Å; E108-V136 HydrophobicContact CG-CG1 4.44Å; E108-R140 WeakPolarHBondContact CG-O 3.45Å; E108-R140 IonicContact OE1-CZ 2.98Å; E108-R140 IonicContact OE1-NE 2.75Å; E108-R140 PolarHBondContact OE1-NE 3.15Å; E108-R140 IonicContact OE1-NH2 2.71Å; E108-R140 PolarHBondContact OE1-NH2 3.34Å; E108-R140 IonicContact OE2-CZ 3.14Å; E108-R140 IonicContact OE2-NE 3.66Å; E108-R140 IonicContact OE2-NH1 3.65Å; E108-R140 IonicContact OE2-NH2 2.76Å; E108-R140 PolarHBondContact OE2-NH2 3.21Å
109F97.6Very high95.5Very high18 Ų1845.9 Ų45.98%0.07926%0.256CS..Hα-helixtrans-67.6-40.9175.5-179.4-105.3000112.1L69 L95 V98 L99 L102 T105 Q106 E107 D111 L112 C113L69-F109 HydrophobicContact CB-CE1 4.1Å; L69-F109 HydrophobicContact CB-CZ 4.36Å; L95-F109 HydrophobicContact CD1-CD1 4.37Å; L95-F109 HydrophobicContact CD1-CE1 4.31Å; V98-F109 HydrophobicContact CG1-CD2 4.42Å; V98-F109 HydrophobicContact CG1-CE2 3.91Å; V98-F109 HydrophobicContact CG1-CZ 4.42Å; L99-F109 HydrophobicContact CD2-CB 3.5Å; L99-F109 HydrophobicContact CD2-CD1 4.49Å; L99-F109 HydrophobicContact CD2-CD2 4.35Å; L99-F109 HydrophobicContact CD2-CG 3.87Å; L102-F109 HydrophobicContact CD1-CD2 4.09Å; L102-F109 HydrophobicContact CD1-CE2 4.26Å; T105-F109 WeakPolarHBondContact O-CB 3.26Å; T105-F109 PolarHBondContact O-N 3.05Å; Q106-F109 PolarHBondContact O-N 3.05Å; E107-F109 VanDerWaalsContact C-N 3.31Å; E107-F109 PolarHBondContact O-N 2.83Å; F109-D111 VanDerWaalsContact C-N 3.32Å; F109-D111 PolarHBondContact O-N 2.99Å; F109-L112 HydrophobicContact CD2-CD2 4.38Å; F109-L112 WeakPolarHBondContact O-CB 3.38Å; F109-L112 PolarHBondContact O-N 2.93Å; F109-C113 PolarHBondContact O-N 3.27Å; F109-C113 PolarHBondContact O-SG 3.45Å; F109-C113 VanDerWaalsContact O-SG 3.35Å
110V97.2Very high95.1Very high0 Ų047.3 Ų47.30%026%0.26CS..Hα-helixtrans-60.5-44.1173.1171.20000110.6T70 Q106 E107 L112 C113 I114 R166 F169 L170T70-V110 HydrophobicContact CG2-CB 4.37Å; T70-V110 HydrophobicContact CG2-CG1 4.37Å; T70-V110 HydrophobicContact CG2-CG2 3.95Å; Q106-V110 WeakPolarHBondContact O-CG2 3.33Å; Q106-V110 PolarHBondContact O-N 2.83Å; E107-V110 PolarHBondContact O-N 3.43Å; V110-L112 VanDerWaalsContact C-N 3.3Å; V110-L112 PolarHBondContact O-N 3.18Å; V110-C113 PolarHBondContact O-N 3.48Å; V110-C113 VanDerWaalsContact O-N 3.15Å; V110-I114 HydrophobicContact CG1-CD1 3.86Å; V110-I114 HydrophobicContact CG1-CG1 4.47Å; V110-I114 WeakPolarHBondContact O-CG1 3.2Å; V110-I114 PolarHBondContact O-N 3.25Å; V110-R166 HydrophobicContact CG1-CB 4.31Å; V110-R166 HydrophobicContact CG1-CG 3.95Å; V110-F169 HydrophobicContact CG1-CB 3.8Å; V110-F169 HydrophobicContact CG1-CD2 4.03Å; V110-F169 HydrophobicContact CG1-CG 4.27Å; V110-F169 HydrophobicContact CG2-CB 4.09Å; V110-L170 HydrophobicContact CG2-CD2 3.91Å; V110-L170 HydrophobicContact CG2-CG 4.42Å
111D97Very high94.8Very high3 Ų342.6 Ų42.62%0.01624%0.239CC..Hα-helixtrans-61.8-38175.7-87.73.3000112.8E107 E108 F109 L115 N141 L142 R166E107-D111 PolarHBondContact O-N 3.39Å; E108-D111 PolarHBondContact O-N 3.02Å; F109-D111 VanDerWaalsContact C-N 3.32Å; F109-D111 PolarHBondContact O-N 2.99Å; D111-L115 WeakPolarHBondContact O-CB 3.13Å; D111-L115 PolarHBondContact O-N 3.27Å; D111-N141 WeakPolarHBondContact OD2-CA 3.27Å; D111-L142 HydrophobicContact CB-CD1 4.2Å; D111-L142 HydrophobicContact CB-CG 3.88Å; D111-L142 WeakPolarHBondContact OD1-CD1 3.37Å; D111-L142 PolarHBondContact OD2-N 2.81Å; D111-R166 VanDerWaalsContact CG-NH2 3.25Å; D111-R166 IonicContact OD1-CZ 2.8Å; D111-R166 IonicContact OD1-NE 2.62Å; D111-R166 PolarHBondContact OD1-NE 2.64Å; D111-R166 IonicContact OD1-NH2 3.6Å; D111-R166 PolarHBondContact OD1-NH2 3.01Å; D111-R166 IonicContact OD2-CZ 3.19Å; D111-R166 IonicContact OD2-NE 2.68Å; D111-R166 IonicContact OD2-NH2 3.6Å; D111-R166 PolarHBondContact OD2-NH2 3.39Å
112L97.2Very high94.5Very high7 Ų746 Ų464%0.03724%0.239CC..Hα-helixtrans-60.2-49.7171.4178.171.9000111L102 F104 E108 F109 V110 I114 L115 L116 A132 V133 V136L102-L112 HydrophobicContact CD1-CD2 4.17Å; F104-L112 HydrophobicContact CD2-CD2 4.42Å; F104-L112 HydrophobicContact CE2-CB 4.27Å; F104-L112 HydrophobicContact CE2-CD2 4.01Å; F104-L112 HydrophobicContact CE2-CG 4.49Å; E108-L112 PolarHBondContact O-N 3.23Å; F109-L112 HydrophobicContact CD2-CD2 4.38Å; F109-L112 WeakPolarHBondContact O-CB 3.38Å; F109-L112 PolarHBondContact O-N 2.93Å; V110-L112 VanDerWaalsContact C-N 3.3Å; V110-L112 PolarHBondContact O-N 3.18Å; L112-I114 PolarHBondContact O-N 3.14Å; L112-L115 WeakPolarHBondContact O-CB 3.29Å; L112-L115 PolarHBondContact O-N 3.25Å; L112-L115 VanDerWaalsContact O-N 3.13Å; L112-L116 HydrophobicContact CD1-CD1 4.34Å; L112-L116 HydrophobicContact CD1-CG 4.38Å; L112-L116 HydrophobicContact CD2-CD1 4.44Å; L112-L116 HydrophobicContact CG-CD1 3.98Å; L112-L116 HydrophobicContact CG-CG 4.38Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.45Å; L112-L116 PolarHBondContact O-N 3.28Å; L112-A132 HydrophobicContact CD1-CB 3.68Å; L112-V133 HydrophobicContact CD1-CG2 3.82Å; L112-V133 HydrophobicContact CD2-CG2 4.16Å; L112-V136 HydrophobicContact CB-CG2 4.21Å; L112-V136 HydrophobicContact CD1-CG2 4.23Å
113C96Very high94.3Very high15 Ų1546.1 Ų46.110%0.10124%0.243CC..Hα-helixtrans-60.3-44.2-179.4-66.90000111.8T70 F109 V110 L115 L116 G117T70-C113 HydrophobicContact CG2-CB 3.72Å; T70-C113 PolarHBondContact OG1-SG 2.85Å; F109-C113 PolarHBondContact O-N 3.27Å; F109-C113 PolarHBondContact O-SG 3.45Å; F109-C113 VanDerWaalsContact O-SG 3.35Å; V110-C113 PolarHBondContact O-N 3.48Å; V110-C113 VanDerWaalsContact O-N 3.15Å; C113-L115 VanDerWaalsContact C-N 3.29Å; C113-L115 PolarHBondContact O-N 3.3Å; C113-L116 PolarHBondContact O-N 3.02Å; C113-G117 CarbonylContact O-C 3.49Å; C113-G117 PolarHBondContact O-N 3.33Å
114I95.6Very high94Very high0 Ų039.6 Ų39.60%021%0.213CC..Hα-helixtrans-60.3-40.7175.2-67.5167.8000111.1V110 L112 G117 L142 W160 F162 V165 R166 F169V110-I114 HydrophobicContact CG1-CD1 3.86Å; V110-I114 HydrophobicContact CG1-CG1 4.47Å; V110-I114 WeakPolarHBondContact O-CG1 3.2Å; V110-I114 PolarHBondContact O-N 3.25Å; L112-I114 PolarHBondContact O-N 3.14Å; I114-G117 PolarHBondContact O-N 2.74Å; I114-L142 HydrophobicContact CB-CD1 3.96Å; I114-L142 HydrophobicContact CD1-CD1 4.33Å; I114-L142 HydrophobicContact CG2-CD1 3.64Å; I114-W160 HydrophobicContact CG2-CH2 4.5Å; I114-W160 HydrophobicContact CG2-CZ2 3.8Å; I114-F162 HydrophobicContact CG2-CB 4.01Å; I114-V165 HydrophobicContact CD1-CB 4.26Å; I114-V165 HydrophobicContact CD1-CG1 3.94Å; I114-V165 HydrophobicContact CG1-CG1 3.87Å; I114-R166 HydrophobicContact CD1-CB 3.89Å; I114-F169 HydrophobicContact CG1-CE2 4.43Å
115L94.6Very high93.6Very high0 Ų046.6 Ų46.60%024%0.243CC..Hα-helixtrans-67.8-35.8179.2-168.160.3000112.9D111 L112 C113 G117 I124 I127 A132 L135 V136 L142 I145 W160D111-L115 WeakPolarHBondContact O-CB 3.13Å; D111-L115 PolarHBondContact O-N 3.27Å; L112-L115 WeakPolarHBondContact O-CB 3.29Å; L112-L115 PolarHBondContact O-N 3.25Å; L112-L115 VanDerWaalsContact O-N 3.13Å; C113-L115 VanDerWaalsContact C-N 3.29Å; C113-L115 PolarHBondContact O-N 3.3Å; L115-G117 VanDerWaalsContact C-N 3.27Å; L115-I124 HydrophobicContact CD1-CB 4.49Å; L115-I124 HydrophobicContact CD1-CD1 3.83Å; L115-I124 HydrophobicContact CD1-CG1 4.21Å; L115-I127 HydrophobicContact CD1-CD1 3.91Å; L115-I127 HydrophobicContact CD1-CG2 4.42Å; L115-I127 HydrophobicContact CD2-CG2 4.18Å; L115-I127 HydrophobicContact CG-CG2 4.05Å; L115-A132 HydrophobicContact CB-CB 4.49Å; L115-A132 HydrophobicContact CD2-CB 3.73Å; L115-A132 HydrophobicContact CG-CB 4.06Å; L115-L135 HydrophobicContact CD2-CB 4.42Å; L115-L135 HydrophobicContact CD2-CD1 4.34Å; L115-V136 HydrophobicContact CD2-CG2 4.29Å; L115-L142 HydrophobicContact CB-CD2 4.16Å; L115-L142 HydrophobicContact CD1-CD2 4.01Å; L115-I145 HydrophobicContact CD2-CD1 4.23Å; L115-W160 HydrophobicContact CD1-CH2 4.24Å
116L93.1Very high93.3Very high68 Ų6846.6 Ų46.636%0.35626%0.257SS..Hα-helixtrans-71.2-25.7175.1-66.5173.6000112.3L112 C113 M129 A132L112-L116 HydrophobicContact CD1-CD1 4.34Å; L112-L116 HydrophobicContact CD1-CG 4.38Å; L112-L116 HydrophobicContact CD2-CD1 4.44Å; L112-L116 HydrophobicContact CG-CD1 3.98Å; L112-L116 HydrophobicContact CG-CG 4.38Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.45Å; L112-L116 PolarHBondContact O-N 3.28Å; C113-L116 PolarHBondContact O-N 3.02Å; L116-M129 VanDerWaalsContact CD2-CA 3.5Å; L116-M129 HydrophobicContact CD2-CB 3.91Å; L116-M129 HydrophobicContact CD2-CG 4.04Å; L116-A132 HydrophobicContact CD2-CB 3.69Å; L116-A132 HydrophobicContact CG-CB 4.29Å
117G89.7Confident93.1Very high35 Ų3545.2 Ų45.236%0.36125%0.251SS..  trans109.4132.2-174.200000110.8C113 I114 L115C113-G117 CarbonylContact O-C 3.49Å; C113-G117 PolarHBondContact O-N 3.33Å; I114-G117 PolarHBondContact O-N 2.74Å; L115-G117 VanDerWaalsContact C-N 3.27Å
118C90.1Very high92.8Very high15 Ų1541.2 Ų41.210%0.10124%0.244CC..BIsolated β-bridgetrans-135.4172.317464.90000108.5Y120 C121 F169C118-Y120 PolarHBondContact O-N 3.04Å; C118-C121 VanDerWaalsContact O-O 3.09Å; C118-F169 HydrophobicContact CB-CE2 4.19Å; C118-F169 HydrophobicContact CB-CZ 4.13Å
119D88.5Confident92.6Very high144 Ų14444 Ų4477%0.7726%0.258SS*.THydrogen-bonded Turntrans-72.4-11.9-175.5-73.1-11.3000113.8
120Y88.7Confident92.5Very high60 Ų6047.9 Ų47.924%0.23528%0.283CS..THydrogen-bonded Turntrans-94.5-15.6-174.5-52.8-69.4000114.9E44 F71 C118 V165 L168 F169E44-Y120 WeakPolarHBondContact CG-OH 3.5Å; E44-Y120 PolarHBondContact OE1-OH 2.98Å; F71-Y120 HydrophobicContact CZ-CE2 4.28Å; C118-Y120 PolarHBondContact O-N 3.04Å; Y120-V165 HydrophobicContact CD2-CG1 4.23Å; Y120-V165 HydrophobicContact CG-CG1 4.37Å; Y120-L168 HydrophobicContact CD1-CD2 3.48Å; Y120-L168 VanDerWaalsContact CD1-CD2 3.48Å; Y120-L168 HydrophobicContact CD2-CD2 3.93Å; Y120-L168 HydrophobicContact CE1-CD2 3.57Å; Y120-L168 HydrophobicContact CE2-CD2 3.99Å; Y120-L168 HydrophobicContact CG-CD2 3.68Å; Y120-F169 HydrophobicContact CD2-CE1 4.29Å; Y120-F169 AromaticContact CD2-CE2 3.75Å; Y120-F169 HydrophobicContact CD2-CE2 3.75Å; Y120-F169 AromaticContact CD2-CZ 3.53Å; Y120-F169 HydrophobicContact CD2-CZ 3.53Å; Y120-F169 AromaticContact CE2-CE1 3.76Å; Y120-F169 HydrophobicContact CE2-CE1 3.76Å; Y120-F169 HydrophobicContact CE2-CE2 4.08Å; Y120-F169 AromaticContact CE2-CZ 3.42Å; Y120-F169 HydrophobicContact CE2-CZ 3.42Å; Y120-F169 VanDerWaalsContact CE2-CZ 3.42Å
121C90.4Very high92.4Very high18 Ų1853.3 Ų53.312%0.12230%0.303CS..BIsolated β-bridgetrans-160.3158176.164.50000112.9C118 P161 V165C118-C121 VanDerWaalsContact O-O 3.09Å; C121-P161 HydrophobicContact CB-CG 4.04Å; C121-V165 HydrophobicContact CB-CG2 3.97Å
122E89.8Confident92.3Very high134 Ų13453.1 Ų53.163%0.62630%0.303SS*.  trans-61.1153.7172.5-60.9-167.2168.500112.3P157 W160E122-P157 HydrophobicContact CB-CB 4.31Å; E122-P157 HydrophobicContact CB-CG 3.9Å; E122-W160 PolarHBondContact O-NE1 3.29Å
123S91.6Very high92.3Very high44 Ų4453.9 Ų53.931%0.30831%0.307SS..  trans-99163.1170.761.60000112.1K125S123-K125 PolarHBondContact O-N 2.91Å
124I91.6Very high92.3Very high2 Ų257 Ų571%0.0132%0.323CS..  trans-74.8114.5175.4-57.1178.9000109.4L115 G126 I127 I156 W160L115-I124 HydrophobicContact CD1-CB 4.49Å; L115-I124 HydrophobicContact CD1-CD1 3.83Å; L115-I124 HydrophobicContact CD1-CG1 4.21Å; I124-G126 PolarHBondContact O-N 3.49Å; I124-I127 HydrophobicContact CB-CD1 3.7Å; I124-I127 HydrophobicContact CB-CG1 4.16Å; I124-I127 HydrophobicContact CD1-CD1 3.98Å; I124-I127 HydrophobicContact CG1-CD1 4.42Å; I124-I127 HydrophobicContact CG2-CD1 3.61Å; I124-I127 HydrophobicContact CG2-CG1 3.94Å; I124-I127 PolarHBondContact O-N 3.09Å; I124-I156 HydrophobicContact CD1-CG1 4.4Å; I124-W160 HydrophobicContact CD1-CH2 3.79Å; I124-W160 HydrophobicContact CD1-CZ3 3.66Å; I124-W160 HydrophobicContact CG1-CH2 3.77Å; I124-W160 HydrophobicContact CG1-CZ2 4.31Å; I124-W160 HydrophobicContact CG1-CZ3 3.9Å
125K89.1Confident92.4Very high159 Ų15957.2 Ų57.269%0.69132%0.324SS*.THydrogen-bonded Turntrans-56.6134.3179.8-70.6-179.5-177.7169.20111.6S123 I127S123-K125 PolarHBondContact O-N 2.91Å; K125-I127 VanDerWaalsContact C-N 3.33Å
126G90.4Very high92.5Very high68 Ų6857.2 Ų57.270%0.70132%0.324SS*.THydrogen-bonded Turntrans85.9-3178.300000114.9I124 G128I124-G126 PolarHBondContact O-N 3.49Å; G126-G128 PolarHBondContact O-N 3.17Å
127I92Very high92.7Very high14 Ų1457.9 Ų57.97%0.07232%0.324CS..  trans-91101.1168.8-57.1-175.3000108.5L115 I124 K125 R131 A132 L135 I149 Y154L115-I127 HydrophobicContact CD1-CD1 3.91Å; L115-I127 HydrophobicContact CD1-CG2 4.42Å; L115-I127 HydrophobicContact CD2-CG2 4.18Å; L115-I127 HydrophobicContact CG-CG2 4.05Å; I124-I127 HydrophobicContact CB-CD1 3.7Å; I124-I127 HydrophobicContact CB-CG1 4.16Å; I124-I127 HydrophobicContact CD1-CD1 3.98Å; I124-I127 HydrophobicContact CG1-CD1 4.42Å; I124-I127 HydrophobicContact CG2-CD1 3.61Å; I124-I127 HydrophobicContact CG2-CG1 3.94Å; I124-I127 PolarHBondContact O-N 3.09Å; K125-I127 VanDerWaalsContact C-N 3.33Å; I127-R131 HydrophobicContact CG2-CB 4.29Å; I127-R131 HydrophobicContact CG2-CG 4.32Å; I127-A132 HydrophobicContact CG2-CB 3.91Å; I127-L135 HydrophobicContact CD1-CD1 3.83Å; I127-L135 HydrophobicContact CG2-CD1 4.16Å; I127-I149 HydrophobicContact CD1-CD1 3.44Å; I127-I149 VanDerWaalsContact CD1-CD1 3.44Å; I127-I149 HydrophobicContact CG1-CD1 4.4Å; I127-Y154 HydrophobicContact CD1-CD1 4.25Å; I127-Y154 HydrophobicContact CG1-CD1 3.59Å; I127-Y154 HydrophobicContact CG1-CE1 3.77Å; I127-Y154 HydrophobicContact CG1-CG 4.35Å
128G92Very high93Very high43 Ų4363.1 Ų63.144%0.44334%0.337SS..  trans-84177.4168.800000112.1G126 T130 R131 A132G126-G128 PolarHBondContact O-N 3.17Å; G128-T130 PolarHBondContact O-N 3.16Å; G128-R131 PolarHBondContact O-N 3.43Å; G128-R131 VanDerWaalsContact O-N 3.12Å; G128-A132 PolarHBondContact O-N 3.34Å
129M93.4Very high93.4Very high77 Ų7764.5 Ų64.538%0.37934%0.34SS..Hα-helixtrans-60.1-48.2-170.1-170.3157.545.800116.1L116 R131 A132 V133 F245L116-M129 VanDerWaalsContact CD2-CA 3.5Å; L116-M129 HydrophobicContact CD2-CB 3.91Å; L116-M129 HydrophobicContact CD2-CG 4.04Å; M129-R131 PolarHBondContact O-N 2.88Å; M129-A132 PolarHBondContact O-N 3.08Å; M129-V133 WeakPolarHBondContact O-CG2 3.25Å; M129-V133 PolarHBondContact O-N 3.04Å; M129-F245 HydrophobicContact CE-CD1 3.2Å; M129-F245 HydrophobicContact CE-CD2 4.35Å; M129-F245 HydrophobicContact CE-CE1 2.86Å; M129-F245 HydrophobicContact CE-CE2 4.04Å; M129-F245 HydrophobicContact CE-CG 4.03Å; M129-F245 HydrophobicContact CE-CZ 3.36Å; M129-F245 HydrophobicContact CG-CE1 4.27Å; M129-F245 HydrophobicContact CG-CE2 3.92Å; M129-F245 HydrophobicContact CG-CZ 3.72Å; M129-F245 HydrophobicContact SD-CD1 4.1Å; M129-F245 HydrophobicContact SD-CE1 3.16Å; M129-F245 WeakPolarHBondContact SD-CE1 3.43Å; M129-F245 HydrophobicContact SD-CE2 3.82Å; M129-F245 HydrophobicContact SD-CZ 3Å; M129-F245 WeakPolarHBondContact SD-CZ 3.23Å
130T94.8Very high93.7Very high100 Ų10062.5 Ų62.561%0.61332%0.322SS*.Hα-helixtrans-57.7-43176.4-46.20000110.8G128 V133 D134G128-T130 PolarHBondContact O-N 3.16Å; T130-V133 PolarHBondContact O-N 2.84Å; T130-D134 VanDerWaalsContact O-CG 3.3Å; T130-D134 PolarHBondContact O-N 3.42Å
131R94.8Very high94.1Very high113 Ų11362.3 Ų62.343%0.42633%0.325SS..Hα-helixtrans-70.5-39.2-179.1-172.356.5174.4167.51.4111.9I127 G128 M129 V133 D134 L135I127-R131 HydrophobicContact CG2-CB 4.29Å; I127-R131 HydrophobicContact CG2-CG 4.32Å; G128-R131 PolarHBondContact O-N 3.43Å; G128-R131 VanDerWaalsContact O-N 3.12Å; M129-R131 PolarHBondContact O-N 2.88Å; R131-V133 VanDerWaalsContact C-N 3.34Å; R131-D134 PolarHBondContact O-N 3.38Å; R131-L135 HydrophobicContact CG-CD1 4.06Å; R131-L135 HydrophobicContact CG-CG 4.37Å; R131-L135 WeakPolarHBondContact O-CB 3.18Å; R131-L135 VanDerWaalsContact O-CG 3.23Å; R131-L135 WeakPolarHBondContact O-CG 3.36Å; R131-L135 PolarHBondContact O-N 3.06Å
132A96.1Very high94.3Very high0 Ų061.4 Ų61.40%032%0.319CS..Hα-helixtrans-58.4-47.8175.800000110.7L112 L115 L116 I127 G128 M129 D134 L135 V136L112-A132 HydrophobicContact CD1-CB 3.68Å; L115-A132 HydrophobicContact CB-CB 4.49Å; L115-A132 HydrophobicContact CD2-CB 3.73Å; L115-A132 HydrophobicContact CG-CB 4.06Å; L116-A132 HydrophobicContact CD2-CB 3.69Å; L116-A132 HydrophobicContact CG-CB 4.29Å; I127-A132 HydrophobicContact CG2-CB 3.91Å; G128-A132 PolarHBondContact O-N 3.34Å; M129-A132 PolarHBondContact O-N 3.08Å; A132-D134 PolarHBondContact O-N 3.14Å; A132-L135 PolarHBondContact O-N 3.03Å; A132-V136 WeakPolarHBondContact O-CG2 3.43Å; A132-V136 PolarHBondContact O-N 2.98Å
133V96.8Very high94.6Very high23 Ų2357.8 Ų57.814%0.13930%0.302CS..Hα-helixtrans-60.2-45.7176.5174.10000111.4F104 L112 M129 T130 R131 L135 V136 K137F104-V133 HydrophobicContact CZ-CG1 4.35Å; L112-V133 HydrophobicContact CD1-CG2 3.82Å; L112-V133 HydrophobicContact CD2-CG2 4.16Å; M129-V133 WeakPolarHBondContact O-CG2 3.25Å; M129-V133 PolarHBondContact O-N 3.04Å; T130-V133 PolarHBondContact O-N 2.84Å; R131-V133 VanDerWaalsContact C-N 3.34Å; V133-L135 VanDerWaalsContact C-N 3.31Å; V133-L135 PolarHBondContact O-N 2.91Å; V133-V136 PolarHBondContact O-N 2.75Å; V133-K137 HydrophobicContact CG1-CD 4.12Å; V133-K137 HydrophobicContact CG1-CG 4.38Å; V133-K137 WeakPolarHBondContact O-CB 3.22Å; V133-K137 WeakPolarHBondContact O-CG 3.21Å; V133-K137 PolarHBondContact O-N 2.99Å
134D96.4Very high94.9Very high80 Ų8059.8 Ų59.843%0.42831%0.307SS..Hα-helixtrans-60.8-40.7177.8-69.7-20.4000112.4T130 R131 A132 K138T130-D134 VanDerWaalsContact O-CG 3.3Å; T130-D134 PolarHBondContact O-N 3.42Å; R131-D134 PolarHBondContact O-N 3.38Å; A132-D134 PolarHBondContact O-N 3.14Å; D134-K138 VanDerWaalsContact O-CB 3.29Å; D134-K138 WeakPolarHBondContact O-CB 3.48Å; D134-K138 PolarHBondContact O-N 3Å
135L96.4Very high95.1Very high4 Ų459.7 Ų59.72%0.02131%0.306CS..Hα-helixtrans-67-47179.8-73.2171000111.2L115 I127 R131 A132 V133 K138 Y139 I145 I149L115-L135 HydrophobicContact CD2-CB 4.42Å; L115-L135 HydrophobicContact CD2-CD1 4.34Å; I127-L135 HydrophobicContact CD1-CD1 3.83Å; I127-L135 HydrophobicContact CG2-CD1 4.16Å; R131-L135 HydrophobicContact CG-CD1 4.06Å; R131-L135 HydrophobicContact CG-CG 4.37Å; R131-L135 WeakPolarHBondContact O-CB 3.18Å; R131-L135 VanDerWaalsContact O-CG 3.23Å; R131-L135 WeakPolarHBondContact O-CG 3.36Å; R131-L135 PolarHBondContact O-N 3.06Å; A132-L135 PolarHBondContact O-N 3.03Å; V133-L135 VanDerWaalsContact C-N 3.31Å; V133-L135 PolarHBondContact O-N 2.91Å; L135-K138 PolarHBondContact O-N 2.9Å; L135-Y139 HydrophobicContact CD2-CD2 4.05Å; L135-Y139 HydrophobicContact CD2-CE2 3.76Å; L135-Y139 WeakPolarHBondContact O-CB 3.33Å; L135-Y139 WeakPolarHBondContact O-CD2 3.39Å; L135-Y139 PolarHBondContact O-N 3.03Å; L135-I145 HydrophobicContact CB-CD1 4.02Å; L135-I145 HydrophobicContact CB-CG1 4.17Å; L135-I145 HydrophobicContact CB-CG2 4.35Å; L135-I145 HydrophobicContact CD1-CG2 4.21Å; L135-I149 HydrophobicContact CD1-CD1 4.24Å
136V97Very high95.3Very high0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-66.1-39.7177.5178.50000110.7F104 E108 L112 L115 A132 V133 K138 R140 I145F104-V136 HydrophobicContact CD1-CG1 4.4Å; F104-V136 HydrophobicContact CD2-CG1 4.18Å; F104-V136 HydrophobicContact CE1-CB 4.34Å; F104-V136 HydrophobicContact CE1-CG1 3.85Å; F104-V136 HydrophobicContact CE2-CB 3.95Å; F104-V136 HydrophobicContact CE2-CG1 3.59Å; F104-V136 HydrophobicContact CZ-CB 3.61Å; F104-V136 HydrophobicContact CZ-CG1 3.44Å; F104-V136 VanDerWaalsContact CZ-CG1 3.44Å; E108-V136 HydrophobicContact CB-CG1 4.03Å; E108-V136 HydrophobicContact CG-CG1 4.44Å; L112-V136 HydrophobicContact CB-CG2 4.21Å; L112-V136 HydrophobicContact CD1-CG2 4.23Å; L115-V136 HydrophobicContact CD2-CG2 4.29Å; A132-V136 WeakPolarHBondContact O-CG2 3.43Å; A132-V136 PolarHBondContact O-N 2.98Å; V133-V136 PolarHBondContact O-N 2.75Å; V136-K138 VanDerWaalsContact C-N 3.28Å; V136-K138 PolarHBondContact O-N 3.46Å; V136-R140 WeakPolarHBondContact O-CA 3.44Å; V136-R140 PolarHBondContact O-N 3.31Å; V136-I145 HydrophobicContact CG2-CD1 3.84Å
137K96.7Very high95.5Very high83 Ų8353.4 Ų53.436%0.36127%0.273SS..Hα-helixtrans-58.1-40.7172.7-80.8-173.5177.8-154.70112.6L102 F104 V133L102-K137 WeakPolarHBondContact O-CE 2.98Å; L102-K137 PolarHBondContact O-NZ 2.94Å; F104-K137 HydrophobicContact CE1-CB 4.26Å; F104-K137 HydrophobicContact CE1-CD 4.5Å; F104-K137 HydrophobicContact CE1-CG 3.37Å; F104-K137 HydrophobicContact CZ-CG 3.7Å; V133-K137 HydrophobicContact CG1-CD 4.12Å; V133-K137 HydrophobicContact CG1-CG 4.38Å; V133-K137 WeakPolarHBondContact O-CB 3.22Å; V133-K137 WeakPolarHBondContact O-CG 3.21Å; V133-K137 PolarHBondContact O-N 2.99Å
138K97Very high95.6Very high145 Ų14558 Ų5863%0.6329%0.293SS*.Hα-helixtrans-77.9-45.1-175.8-174.2177.5178.8-164.20113.2D134 L135 V136D134-K138 VanDerWaalsContact O-CB 3.29Å; D134-K138 WeakPolarHBondContact O-CB 3.48Å; D134-K138 PolarHBondContact O-N 3Å; L135-K138 PolarHBondContact O-N 2.9Å; V136-K138 VanDerWaalsContact C-N 3.28Å; V136-K138 PolarHBondContact O-N 3.46Å
139Y97.4Very high95.7Very high44 Ų4456.6 Ų56.617%0.17328%0.276CS..Hα-helixtrans-109.7-12.3-168-62.5-63.3000113.7L135 N141 E144 I145 H148L135-Y139 HydrophobicContact CD2-CD2 4.05Å; L135-Y139 HydrophobicContact CD2-CE2 3.76Å; L135-Y139 WeakPolarHBondContact O-CB 3.33Å; L135-Y139 WeakPolarHBondContact O-CD2 3.39Å; L135-Y139 PolarHBondContact O-N 3.03Å; Y139-N141 PolarHBondContact O-N 2.9Å; Y139-E144 WeakPolarHBondContact O-CB 3.2Å; Y139-I145 HydrophobicContact CD2-CG1 3.89Å; Y139-I145 HydrophobicContact CG-CG1 4.19Å; Y139-H148 HydrophobicContact CD1-CB 4.19Å; Y139-H148 HydrophobicContact CE1-CB 3.49Å; Y139-H148 VanDerWaalsContact CE1-CB 3.49Å; Y139-H148 AromaticContact CE1-CG 3.66Å; Y139-H148 HydrophobicContact CE2-CB 4.21Å; Y139-H148 VanDerWaalsContact CZ-CB 3.49Å
140R96.1Very high95.7Very high101 Ų10156.9 Ų56.938%0.38128%0.279SS..SBendtrans65.7-22.3174-48.7-62.4-73.1-172.9-3.9116.6E103 E108 V136E103-R140 PolarHBondContact O-NH1 3.21Å; E108-R140 WeakPolarHBondContact CG-O 3.45Å; E108-R140 IonicContact OE1-CZ 2.98Å; E108-R140 IonicContact OE1-NE 2.75Å; E108-R140 PolarHBondContact OE1-NE 3.15Å; E108-R140 IonicContact OE1-NH2 2.71Å; E108-R140 PolarHBondContact OE1-NH2 3.34Å; E108-R140 IonicContact OE2-CZ 3.14Å; E108-R140 IonicContact OE2-NE 3.66Å; E108-R140 IonicContact OE2-NH1 3.65Å; E108-R140 IonicContact OE2-NH2 2.76Å; E108-R140 PolarHBondContact OE2-NH2 3.21Å; V136-R140 WeakPolarHBondContact O-CA 3.44Å; V136-R140 PolarHBondContact O-N 3.31Å
141N95.6Very high95.5Very high56 Ų5658.2 Ų58.230%0.29928%0.276SS..SBendtrans-146161.1173.961.659.1000112.6D111 Y139 E143 E144 I145D111-N141 WeakPolarHBondContact OD2-CA 3.27Å; Y139-N141 PolarHBondContact O-N 2.9Å; N141-E143 VanDerWaalsContact C-N 3.32Å; N141-E143 PolarHBondContact O-N 3.39Å; N141-E143 WeakPolarHBondContact OD1-CB 3.43Å; N141-E143 PolarHBondContact OD1-N 3.2Å; N141-E144 PolarHBondContact O-N 3.05Å; N141-E144 WeakPolarHBondContact OD1-CB 3.49Å; N141-E144 WeakPolarHBondContact OD1-CG 3.42Å; N141-E144 PolarHBondContact OD1-N 3.49Å; N141-I145 VanDerWaalsContact O-CG1 3.26Å; N141-I145 WeakPolarHBondContact O-CG1 3.37Å; N141-I145 PolarHBondContact O-N 3.23Å; N141-I145 VanDerWaalsContact O-N 3.08Å
142L95.6Very high95.2Very high0 Ų058.9 Ų58.90%029%0.293CS..Hα-helixtrans-62.5-34.9-179.4-75170.8000113.3D111 I114 L115 E144 I145 I146 W160 F162D111-L142 HydrophobicContact CB-CD1 4.2Å; D111-L142 HydrophobicContact CB-CG 3.88Å; D111-L142 WeakPolarHBondContact OD1-CD1 3.37Å; D111-L142 PolarHBondContact OD2-N 2.81Å; I114-L142 HydrophobicContact CB-CD1 3.96Å; I114-L142 HydrophobicContact CD1-CD1 4.33Å; I114-L142 HydrophobicContact CG2-CD1 3.64Å; L115-L142 HydrophobicContact CB-CD2 4.16Å; L115-L142 HydrophobicContact CD1-CD2 4.01Å; L142-E144 PolarHBondContact O-N 3.11Å; L142-I145 HydrophobicContact CD2-CD1 4.3Å; L142-I145 PolarHBondContact O-N 3.49Å; L142-I146 WeakPolarHBondContact O-CB 3.42Å; L142-I146 WeakPolarHBondContact O-CD1 3.08Å; L142-I146 VanDerWaalsContact O-CG1 3.24Å; L142-I146 WeakPolarHBondContact O-CG1 3.47Å; L142-I146 PolarHBondContact O-N 3.4Å; L142-W160 HydrophobicContact CD1-CH2 4.4Å; L142-W160 HydrophobicContact CD2-CH2 3.87Å; L142-W160 HydrophobicContact CD2-CZ3 4.35Å; L142-F162 HydrophobicContact CB-CD2 3.67Å; L142-F162 HydrophobicContact CB-CE2 3.7Å; L142-F162 HydrophobicContact CB-CG 4.44Å; L142-F162 HydrophobicContact CB-CZ 4.49Å; L142-F162 HydrophobicContact CD1-CB 3.92Å; L142-F162 HydrophobicContact CD1-CD2 3.65Å; L142-F162 HydrophobicContact CD1-CG 4.06Å; L142-F162 HydrophobicContact CG-CD2 4.31Å
143E96.2Very high95Very high58 Ų5865.5 Ų65.527%0.27132%0.322SS..Hα-helixtrans-57.5-48.9177-70.380.8173.200111.5N141 I146 A147 F162 K163 R166N141-E143 VanDerWaalsContact C-N 3.32Å; N141-E143 PolarHBondContact O-N 3.39Å; N141-E143 WeakPolarHBondContact OD1-CB 3.43Å; N141-E143 PolarHBondContact OD1-N 3.2Å; E143-I146 PolarHBondContact O-N 3.4Å; E143-A147 WeakPolarHBondContact O-CB 3.15Å; E143-A147 PolarHBondContact O-N 2.94Å; E143-F162 HydrophobicContact CG-CE2 4.1Å; E143-F162 HydrophobicContact CG-CZ 4Å; E143-F162 WeakPolarHBondContact OE1-CE2 3.47Å; E143-K163 WeakPolarHBondContact OE1-CE 3.34Å; E143-K163 IonicContact OE1-NZ 3.17Å; E143-R166 IonicContact OE1-CZ 2.88Å; E143-R166 IonicContact OE1-NH1 2.82Å; E143-R166 PolarHBondContact OE1-NH1 2.99Å; E143-R166 IonicContact OE1-NH2 3.68Å; E143-R166 IonicContact OE2-CZ 3.67Å; E143-R166 IonicContact OE2-NH1 2.77Å; E143-R166 PolarHBondContact OE2-NH1 2.92Å; E143-R166 IonicContact OE2-NH2 3.44Å; E143-R166 PolarHBondContact OE2-NH2 3.04Å
144E96.9Very high94.8Very high86 Ų8665.4 Ų65.440%0.40232%0.319SS..Hα-helixtrans-69.3-36.1178.3-73.9-60.3142.300112.1Y139 N141 L142 A147 H148Y139-E144 WeakPolarHBondContact O-CB 3.2Å; N141-E144 PolarHBondContact O-N 3.05Å; N141-E144 WeakPolarHBondContact OD1-CB 3.49Å; N141-E144 WeakPolarHBondContact OD1-CG 3.42Å; N141-E144 PolarHBondContact OD1-N 3.49Å; L142-E144 PolarHBondContact O-N 3.11Å; E144-A147 PolarHBondContact O-N 3.36Å; E144-H148 WeakPolarHBondContact O-CB 3.35Å; E144-H148 PolarHBondContact O-N 3.36Å; E144-H148 VanDerWaalsContact O-N 3.11Å; E144-H148 PolarHBondContact O-ND1 3.45Å; E144-H148 IonicContact OE2-CE1 3.08Å; E144-H148 PolarHBondContact OE2-CE1 3.28Å; E144-H148 IonicContact OE2-ND1 3.35Å; E144-H148 PolarHBondContact OE2-ND1 3.13Å
145I95.7Very high94.4Very high0 Ų068.7 Ų68.70%033%0.332CS..Hα-helixtrans-61-50.4173.2-66.8167.6000109.9L115 L135 V136 Y139 N141 L142 A147 H148 I149L115-I145 HydrophobicContact CD2-CD1 4.23Å; L135-I145 HydrophobicContact CB-CD1 4.02Å; L135-I145 HydrophobicContact CB-CG1 4.17Å; L135-I145 HydrophobicContact CB-CG2 4.35Å; L135-I145 HydrophobicContact CD1-CG2 4.21Å; V136-I145 HydrophobicContact CG2-CD1 3.84Å; Y139-I145 HydrophobicContact CD2-CG1 3.89Å; Y139-I145 HydrophobicContact CG-CG1 4.19Å; N141-I145 VanDerWaalsContact O-CG1 3.26Å; N141-I145 WeakPolarHBondContact O-CG1 3.37Å; N141-I145 PolarHBondContact O-N 3.23Å; N141-I145 VanDerWaalsContact O-N 3.08Å; L142-I145 HydrophobicContact CD2-CD1 4.3Å; L142-I145 PolarHBondContact O-N 3.49Å; I145-A147 VanDerWaalsContact C-N 3.27Å; I145-A147 PolarHBondContact O-N 3.47Å; I145-H148 PolarHBondContact O-N 3.5Å; I145-I149 WeakPolarHBondContact O-CB 3.34Å; I145-I149 WeakPolarHBondContact O-CG2 3.43Å; I145-I149 PolarHBondContact O-N 3.45Å
146I93.9Very high94.1Very high31 Ų3171 Ų7116%0.15934%0.343CS..Hα-helixtrans-61.2-37.2179.5-74.2159.3000111.5L142 E143 H148 K151 I156 W160 F162L142-I146 WeakPolarHBondContact O-CB 3.42Å; L142-I146 WeakPolarHBondContact O-CD1 3.08Å; L142-I146 VanDerWaalsContact O-CG1 3.24Å; L142-I146 WeakPolarHBondContact O-CG1 3.47Å; L142-I146 PolarHBondContact O-N 3.4Å; E143-I146 PolarHBondContact O-N 3.4Å; I146-H148 VanDerWaalsContact C-N 3.34Å; I146-K151 WeakPolarHBondContact O-CE 3.39Å; I146-I156 HydrophobicContact CB-CD1 4.32Å; I146-I156 HydrophobicContact CG1-CD1 4.25Å; I146-I156 HydrophobicContact CG2-CD1 3.7Å; I146-W160 HydrophobicContact CD1-CE3 3.78Å; I146-W160 HydrophobicContact CD1-CZ3 3.65Å; I146-W160 HydrophobicContact CG1-CE3 4.36Å; I146-W160 HydrophobicContact CG1-CZ3 3.97Å; I146-F162 HydrophobicContact CD1-CD1 3.95Å; I146-F162 HydrophobicContact CD1-CE1 3.43Å; I146-F162 VanDerWaalsContact CD1-CE1 3.43Å; I146-F162 HydrophobicContact CD1-CE2 4.44Å; I146-F162 HydrophobicContact CD1-CZ 3.71Å
147A94.7Very high93.7Very high64 Ų6472 Ų7253%0.52935%0.35SS..Hα-helixtrans-66.4-35.3177.900000112.6E143 E144 I145E143-A147 WeakPolarHBondContact O-CB 3.15Å; E143-A147 PolarHBondContact O-N 2.94Å; E144-A147 PolarHBondContact O-N 3.36Å; I145-A147 VanDerWaalsContact C-N 3.27Å; I145-A147 PolarHBondContact O-N 3.47Å
148H94.9Very high93.3Very high109 Ų10976.6 Ų76.651%0.50537%0.373SS..Hα-helixtrans-109.2-5.9-170.7-67.692.1000115.4Y139 E144 I145 I146Y139-H148 HydrophobicContact CD1-CB 4.19Å; Y139-H148 HydrophobicContact CE1-CB 3.49Å; Y139-H148 VanDerWaalsContact CE1-CB 3.49Å; Y139-H148 AromaticContact CE1-CG 3.66Å; Y139-H148 HydrophobicContact CE2-CB 4.21Å; Y139-H148 VanDerWaalsContact CZ-CB 3.49Å; E144-H148 WeakPolarHBondContact O-CB 3.35Å; E144-H148 PolarHBondContact O-N 3.36Å; E144-H148 VanDerWaalsContact O-N 3.11Å; E144-H148 PolarHBondContact O-ND1 3.45Å; E144-H148 IonicContact OE2-CE1 3.08Å; E144-H148 PolarHBondContact OE2-CE1 3.28Å; E144-H148 IonicContact OE2-ND1 3.35Å; E144-H148 PolarHBondContact OE2-ND1 3.13Å; I145-H148 PolarHBondContact O-N 3.5Å; I146-H148 VanDerWaalsContact C-N 3.34Å
149I93.1Very high92.9Very high15 Ų1576.9 Ų76.98%0.07738%0.381CS..SBendtrans-74.9147.2178.8-162.2164.6000111.4I127 L135 I145 K151 Y154 I156I127-I149 HydrophobicContact CD1-CD1 3.44Å; I127-I149 VanDerWaalsContact CD1-CD1 3.44Å; I127-I149 HydrophobicContact CG1-CD1 4.4Å; L135-I149 HydrophobicContact CD1-CD1 4.24Å; I145-I149 WeakPolarHBondContact O-CB 3.34Å; I145-I149 WeakPolarHBondContact O-CG2 3.43Å; I145-I149 PolarHBondContact O-N 3.45Å; I149-K151 PolarHBondContact O-N 3.48Å; I149-Y154 HydrophobicContact CD1-CD1 4.37Å; I149-Y154 HydrophobicContact CD1-CD2 3.6Å; I149-Y154 HydrophobicContact CD1-CE2 4.31Å; I149-Y154 HydrophobicContact CD1-CG 3.61Å; I149-Y154 HydrophobicContact CG1-CD2 3.43Å; I149-Y154 VanDerWaalsContact CG1-CD2 3.43Å; I149-Y154 HydrophobicContact CG1-CE2 4.18Å; I149-Y154 HydrophobicContact CG1-CG 3.92Å; I149-I156 HydrophobicContact CG2-CD1 4.32Å
150D92.9Very high92.6Very high82 Ų8275.8 Ų75.844%0.43938%0.377SS..  trans-70.197.2173.3-179.80.1000110.4T152 K153 Y154D150-T152 PolarHBondContact O-N 3.25Å; D150-T152 WeakPolarHBondContact OD1-CB 3.3Å; D150-T152 PolarHBondContact OD1-N 3.42Å; D150-T152 PolarHBondContact OD1-OG1 3.4Å; D150-T152 PolarHBondContact OD2-OG1 3.4Å; D150-K153 HydrophobicContact CB-CB 4.31Å; D150-K153 PolarHBondContact O-N 2.98Å; D150-K153 VanDerWaalsContact O-N 3.07Å; D150-Y154 HydrophobicContact CB-CD2 4.47Å; D150-Y154 WeakPolarHBondContact O-CD2 3.38Å; D150-Y154 PolarHBondContact O-N 3.23Å
151K90.4Very high92.5Very high129 Ų12974 Ų7456%0.56138%0.378SS*.THydrogen-bonded Turntrans-65.9-15.6-178.7-59.8-177.9-176.3-179.80113.7I146 I149 I156I146-K151 WeakPolarHBondContact O-CE 3.39Å; I149-K151 PolarHBondContact O-N 3.48Å; K151-I156 HydrophobicContact CG-CD1 4.35Å
152T88.9Confident92.5Very high126 Ų12672.3 Ų72.377%0.77337%0.368SS*.THydrogen-bonded Turntrans-75.5-32.1173.771.60000111.2D150D150-T152 PolarHBondContact O-N 3.25Å; D150-T152 WeakPolarHBondContact OD1-CB 3.3Å; D150-T152 PolarHBondContact OD1-N 3.42Å; D150-T152 PolarHBondContact OD1-OG1 3.4Å; D150-T152 PolarHBondContact OD2-OG1 3.4Å
153K91.8Very high92.5Very high139 Ų13978.2 Ų78.260%0.60439%0.394SS*.THydrogen-bonded Turntrans-92.2-38.5179.8-176.1175.6177.7-1740112.9D150D150-K153 HydrophobicContact CB-CB 4.31Å; D150-K153 PolarHBondContact O-N 2.98Å; D150-K153 VanDerWaalsContact O-N 3.07Å
154Y92.4Very high92.4Very high22 Ų2278.6 Ų78.69%0.08641%0.407CS..SBendtrans-116.1101.4-174.6-59.1-74.3000109.4I127 I149 D150 I156I127-Y154 HydrophobicContact CD1-CD1 4.25Å; I127-Y154 HydrophobicContact CG1-CD1 3.59Å; I127-Y154 HydrophobicContact CG1-CE1 3.77Å; I127-Y154 HydrophobicContact CG1-CG 4.35Å; I149-Y154 HydrophobicContact CD1-CD1 4.37Å; I149-Y154 HydrophobicContact CD1-CD2 3.6Å; I149-Y154 HydrophobicContact CD1-CE2 4.31Å; I149-Y154 HydrophobicContact CD1-CG 3.61Å; I149-Y154 HydrophobicContact CG1-CD2 3.43Å; I149-Y154 VanDerWaalsContact CG1-CD2 3.43Å; I149-Y154 HydrophobicContact CG1-CE2 4.18Å; I149-Y154 HydrophobicContact CG1-CG 3.92Å; D150-Y154 HydrophobicContact CB-CD2 4.47Å; D150-Y154 WeakPolarHBondContact O-CD2 3.38Å; D150-Y154 PolarHBondContact O-N 3.23Å; Y154-I156 PolarHBondContact O-N 3.25Å
155Q89Confident92.3Very high149 Ų14974.9 Ų74.970%0.69639%0.39SS*.PPolyproline II helixtrans-76.9118.3177.6-68.9-176.4-15.100109.6
156I89.9Confident92.4Very high52 Ų5276.5 Ų76.527%0.26740%0.396SS..PPolyproline II helixtrans-79.6134175.3-57.1167.3000107.6I124 I146 I149 K151 Y154 W160I124-I156 HydrophobicContact CD1-CG1 4.4Å; I146-I156 HydrophobicContact CB-CD1 4.32Å; I146-I156 HydrophobicContact CG1-CD1 4.25Å; I146-I156 HydrophobicContact CG2-CD1 3.7Å; I149-I156 HydrophobicContact CG2-CD1 4.32Å; K151-I156 HydrophobicContact CG-CD1 4.35Å; Y154-I156 PolarHBondContact O-N 3.25Å; I156-W160 HydrophobicContact CG2-CB 4.47Å; I156-W160 HydrophobicContact CG2-CE3 3.89Å
157P89.4Confident92.5Very high22 Ų2281 Ų8114%0.14342%0.415CS..PPolyproline II helixtrans-54.4143.1173.5-24.333.3000112E122 W160E122-P157 HydrophobicContact CB-CB 4.31Å; E122-P157 HydrophobicContact CB-CG 3.9Å; P157-W160 HydrophobicContact CB-CB 4.12Å; P157-W160 HydrophobicContact CB-CG 4.23Å; P157-W160 HydrophobicContact CG-CG 4.23Å
158E87.2Confident92.4Very high179 Ų17980.8 Ų80.884%0.83640%0.404SS*.THydrogen-bonded Turntrans-66.4139.6172.9-167.2169.2-162.900109.5W160E158-W160 PolarHBondContact O-N 2.87Å; E158-W160 VanDerWaalsContact O-N 3.09Å
159D88.8Confident92.4Very high150 Ų15075.6 Ų75.680%0.80238%0.38SS*.THydrogen-bonded Turntrans50.334-177.5-62.7-35.5000115.1P161D159-P161 WeakPolarHBondContact O-CD 3Å
160W92.1Very high92.5Very high22 Ų2277.8 Ų77.88%0.08339%0.391CS..  trans-55.4110.5-174.7-168.832.4000112.3I114 L115 E122 I124 L142 I146 I156 P157 E158 F162I114-W160 HydrophobicContact CG2-CH2 4.5Å; I114-W160 HydrophobicContact CG2-CZ2 3.8Å; L115-W160 HydrophobicContact CD1-CH2 4.24Å; E122-W160 PolarHBondContact O-NE1 3.29Å; I124-W160 HydrophobicContact CD1-CH2 3.79Å; I124-W160 HydrophobicContact CD1-CZ3 3.66Å; I124-W160 HydrophobicContact CG1-CH2 3.77Å; I124-W160 HydrophobicContact CG1-CZ2 4.31Å; I124-W160 HydrophobicContact CG1-CZ3 3.9Å; L142-W160 HydrophobicContact CD1-CH2 4.4Å; L142-W160 HydrophobicContact CD2-CH2 3.87Å; L142-W160 HydrophobicContact CD2-CZ3 4.35Å; I146-W160 HydrophobicContact CD1-CE3 3.78Å; I146-W160 HydrophobicContact CD1-CZ3 3.65Å; I146-W160 HydrophobicContact CG1-CE3 4.36Å; I146-W160 HydrophobicContact CG1-CZ3 3.97Å; I156-W160 HydrophobicContact CG2-CB 4.47Å; I156-W160 HydrophobicContact CG2-CE3 3.89Å; P157-W160 HydrophobicContact CB-CB 4.12Å; P157-W160 HydrophobicContact CB-CG 4.23Å; P157-W160 HydrophobicContact CG-CG 4.23Å; E158-W160 PolarHBondContact O-N 2.87Å; E158-W160 VanDerWaalsContact O-N 3.09Å; W160-F162 HydrophobicContact CD2-CB 4.01Å; W160-F162 HydrophobicContact CD2-CD1 4.06Å; W160-F162 HydrophobicContact CD2-CG 4.42Å; W160-F162 HydrophobicContact CE3-CB 4.33Å; W160-F162 AromaticContact CE3-CD1 3.83Å; W160-F162 HydrophobicContact CE3-CD1 3.83Å; W160-F162 HydrophobicContact CE3-CG 4.32Å; W160-F162 HydrophobicContact CG-CB 4.43Å; W160-F162 HydrophobicContact CG-CD1 4.38Å; W160-F162 HydrophobicContact CZ2-CB 4.32Å; W160-F162 HydrophobicContact CZ3-CD1 4.41Å; W160-F162 WeakPolarHBondContact O-CD1 3.33Å; W160-F162 PolarHBondContact O-N 2.9Å
161P94.3Very high92.6Very high62 Ų6280 Ų8040%0.40340%0.4SS..  trans-84.131.8-168.635.2-36.8000112.9C121 D159 K163 A164 V165C121-P161 HydrophobicContact CB-CG 4.04Å; D159-P161 WeakPolarHBondContact O-CD 3Å; P161-K163 PolarHBondContact O-N 3.11Å; P161-A164 WeakPolarHBondContact O-CB 3.36Å; P161-A164 PolarHBondContact O-N 3.37Å; P161-V165 HydrophobicContact CG-CG2 4.47Å; P161-V165 PolarHBondContact O-N 3.3Å
162F94.4Very high92.7Very high21 Ų2175.2 Ų75.29%0.09238%0.381CS..Hα-helixtrans-56.2-31.7-171.573.5-90000113.3I114 L142 E143 I146 W160 V165 R166I114-F162 HydrophobicContact CG2-CB 4.01Å; L142-F162 HydrophobicContact CB-CD2 3.67Å; L142-F162 HydrophobicContact CB-CE2 3.7Å; L142-F162 HydrophobicContact CB-CG 4.44Å; L142-F162 HydrophobicContact CB-CZ 4.49Å; L142-F162 HydrophobicContact CD1-CB 3.92Å; L142-F162 HydrophobicContact CD1-CD2 3.65Å; L142-F162 HydrophobicContact CD1-CG 4.06Å; L142-F162 HydrophobicContact CG-CD2 4.31Å; E143-F162 HydrophobicContact CG-CE2 4.1Å; E143-F162 HydrophobicContact CG-CZ 4Å; E143-F162 WeakPolarHBondContact OE1-CE2 3.47Å; I146-F162 HydrophobicContact CD1-CD1 3.95Å; I146-F162 HydrophobicContact CD1-CE1 3.43Å; I146-F162 VanDerWaalsContact CD1-CE1 3.43Å; I146-F162 HydrophobicContact CD1-CE2 4.44Å; I146-F162 HydrophobicContact CD1-CZ 3.71Å; W160-F162 HydrophobicContact CD2-CB 4.01Å; W160-F162 HydrophobicContact CD2-CD1 4.06Å; W160-F162 HydrophobicContact CD2-CG 4.42Å; W160-F162 HydrophobicContact CE3-CB 4.33Å; W160-F162 AromaticContact CE3-CD1 3.83Å; W160-F162 HydrophobicContact CE3-CD1 3.83Å; W160-F162 HydrophobicContact CE3-CG 4.32Å; W160-F162 HydrophobicContact CG-CB 4.43Å; W160-F162 HydrophobicContact CG-CD1 4.38Å; W160-F162 HydrophobicContact CZ2-CB 4.32Å; W160-F162 HydrophobicContact CZ3-CD1 4.41Å; W160-F162 WeakPolarHBondContact O-CD1 3.33Å; W160-F162 PolarHBondContact O-N 2.9Å; F162-V165 PolarHBondContact O-N 3.29Å; F162-R166 VanDerWaalsContact O-CB 3.27Å; F162-R166 WeakPolarHBondContact O-CB 3.26Å; F162-R166 PolarHBondContact O-N 2.9Å
163K95.7Very high92.7Very high125 Ų12574.5 Ų74.554%0.54337%0.373SS..Hα-helixtrans-67-40.3176-63.1-172.8-178.5-171.40112.7E143 P161 K167E143-K163 WeakPolarHBondContact OE1-CE 3.34Å; E143-K163 IonicContact OE1-NZ 3.17Å; P161-K163 PolarHBondContact O-N 3.11Å; K163-K167 PolarHBondContact O-N 3.11Å; K163-K167 VanDerWaalsContact O-N 3.08Å
164A94.9Very high92.7Very high66 Ų6670.4 Ų70.455%0.54536%0.359SS..Hα-helixtrans-70.1-40.8177.200000110.6P161 K167 L168P161-A164 WeakPolarHBondContact O-CB 3.36Å; P161-A164 PolarHBondContact O-N 3.37Å; A164-K167 WeakPolarHBondContact O-CB 3.38Å; A164-K167 PolarHBondContact O-N 3.23Å; A164-L168 PolarHBondContact O-N 2.67Å
165V94.7Very high92.4Very high8 Ų870.5 Ų70.55%0.04836%0.363CS..Hα-helixtrans-64.9-42.9175.3177.80000111.7I114 Y120 C121 P161 F162 K167 L168 F169I114-V165 HydrophobicContact CD1-CB 4.26Å; I114-V165 HydrophobicContact CD1-CG1 3.94Å; I114-V165 HydrophobicContact CG1-CG1 3.87Å; Y120-V165 HydrophobicContact CD2-CG1 4.23Å; Y120-V165 HydrophobicContact CG-CG1 4.37Å; C121-V165 HydrophobicContact CB-CG2 3.97Å; P161-V165 HydrophobicContact CG-CG2 4.47Å; P161-V165 PolarHBondContact O-N 3.3Å; F162-V165 PolarHBondContact O-N 3.29Å; V165-K167 VanDerWaalsContact C-N 3.28Å; V165-K167 PolarHBondContact O-N 2.98Å; V165-L168 WeakPolarHBondContact O-CB 3.49Å; V165-L168 PolarHBondContact O-N 3.43Å; V165-L168 VanDerWaalsContact O-N 3.14Å; V165-F169 HydrophobicContact CG1-CD2 3.88Å; V165-F169 HydrophobicContact CG1-CE2 3.69Å; V165-F169 WeakPolarHBondContact O-CD2 3.44Å; V165-F169 PolarHBondContact O-N 2.88Å
166R96.4Very high92.3Very high34 Ų3467.9 Ų67.913%0.12835%0.354CS..Hα-helixtrans-56.9-45.7173.1-176.7-165.9-63.5143.2-8.7110.8V110 D111 I114 E143 F162 L168 F169 L170V110-R166 HydrophobicContact CG1-CB 4.31Å; V110-R166 HydrophobicContact CG1-CG 3.95Å; D111-R166 VanDerWaalsContact CG-NH2 3.25Å; D111-R166 IonicContact OD1-CZ 2.8Å; D111-R166 IonicContact OD1-NE 2.62Å; D111-R166 PolarHBondContact OD1-NE 2.64Å; D111-R166 IonicContact OD1-NH2 3.6Å; D111-R166 PolarHBondContact OD1-NH2 3.01Å; D111-R166 IonicContact OD2-CZ 3.19Å; D111-R166 IonicContact OD2-NE 2.68Å; D111-R166 IonicContact OD2-NH2 3.6Å; D111-R166 PolarHBondContact OD2-NH2 3.39Å; I114-R166 HydrophobicContact CD1-CB 3.89Å; E143-R166 IonicContact OE1-CZ 2.88Å; E143-R166 IonicContact OE1-NH1 2.82Å; E143-R166 PolarHBondContact OE1-NH1 2.99Å; E143-R166 IonicContact OE1-NH2 3.68Å; E143-R166 IonicContact OE2-CZ 3.67Å; E143-R166 IonicContact OE2-NH1 2.77Å; E143-R166 PolarHBondContact OE2-NH1 2.92Å; E143-R166 IonicContact OE2-NH2 3.44Å; E143-R166 PolarHBondContact OE2-NH2 3.04Å; F162-R166 VanDerWaalsContact O-CB 3.27Å; F162-R166 WeakPolarHBondContact O-CB 3.26Å; F162-R166 PolarHBondContact O-N 2.9Å; R166-L168 VanDerWaalsContact C-N 3.34Å; R166-L168 PolarHBondContact O-N 3.11Å; R166-F169 PolarHBondContact O-N 3.31Å; R166-L170 HydrophobicContact CG-CD1 3.78Å; R166-L170 HydrophobicContact CG-CG 4.4Å; R166-L170 WeakPolarHBondContact O-CG 3.43Å; R166-L170 PolarHBondContact O-N 3.23Å
167K95.7Very high92.2Very high126 Ų12666.1 Ų66.155%0.54835%0.346SS..Hα-helixtrans-60.8-43.4176.4-171.3-178.4-179.5-172.60111.5K163 A164 V165 F169 L170 E171K163-K167 PolarHBondContact O-N 3.11Å; K163-K167 VanDerWaalsContact O-N 3.08Å; A164-K167 WeakPolarHBondContact O-CB 3.38Å; A164-K167 PolarHBondContact O-N 3.23Å; V165-K167 VanDerWaalsContact C-N 3.28Å; V165-K167 PolarHBondContact O-N 2.98Å; K167-F169 VanDerWaalsContact C-N 3.32Å; K167-F169 PolarHBondContact O-N 3.48Å; K167-L170 PolarHBondContact O-N 3.05Å; K167-E171 WeakPolarHBondContact CE-OE2 3.38Å; K167-E171 HydrophobicContact CG-CB 4.44Å; K167-E171 IonicContact NZ-OE2 2.56Å; K167-E171 WeakPolarHBondContact O-CA 3.47Å; K167-E171 PolarHBondContact O-N 3.47Å
168L93.7Very high91.9Very high58 Ų5869.6 Ų69.630%0.30437%0.371SS..Hα-helixtrans-56.4-44.3176.9177.869.7000112.1Y120 A164 V165 R166 P172Y120-L168 HydrophobicContact CD1-CD2 3.48Å; Y120-L168 VanDerWaalsContact CD1-CD2 3.48Å; Y120-L168 HydrophobicContact CD2-CD2 3.93Å; Y120-L168 HydrophobicContact CE1-CD2 3.57Å; Y120-L168 HydrophobicContact CE2-CD2 3.99Å; Y120-L168 HydrophobicContact CG-CD2 3.68Å; A164-L168 PolarHBondContact O-N 2.67Å; V165-L168 WeakPolarHBondContact O-CB 3.49Å; V165-L168 PolarHBondContact O-N 3.43Å; V165-L168 VanDerWaalsContact O-N 3.14Å; R166-L168 VanDerWaalsContact C-N 3.34Å; R166-L168 PolarHBondContact O-N 3.11Å; L168-P172 VanDerWaalsContact O-CA 3.25Å; L168-P172 WeakPolarHBondContact O-CA 3.47Å; L168-P172 WeakPolarHBondContact O-CB 3.4Å
169F95Very high91.6Very high1 Ų167.1 Ų67.10%0.00436%0.363CS..Hα-helixtrans-71.2-36.9178.9-79-61.9000113.6D67 T70 F71 V110 I114 C118 Y120 V165 R166 K167D67-F169 HydrophobicContact CB-CE1 4.23Å; T70-F169 HydrophobicContact CG2-CB 4.15Å; T70-F169 HydrophobicContact CG2-CD1 3.48Å; T70-F169 VanDerWaalsContact CG2-CD1 3.48Å; T70-F169 HydrophobicContact CG2-CD2 3.79Å; T70-F169 HydrophobicContact CG2-CE1 3.65Å; T70-F169 HydrophobicContact CG2-CE2 3.94Å; T70-F169 HydrophobicContact CG2-CG 3.55Å; T70-F169 HydrophobicContact CG2-CZ 3.86Å; F71-F169 AromaticContact CD1-CD1 3.74Å; F71-F169 HydrophobicContact CD1-CD1 3.74Å; F71-F169 HydrophobicContact CD1-CE1 4.47Å; F71-F169 HydrophobicContact CD2-CD1 4.1Å; F71-F169 HydrophobicContact CD2-CE1 4.13Å; F71-F169 AromaticContact CE1-CD1 3.59Å; F71-F169 HydrophobicContact CE1-CD1 3.59Å; F71-F169 HydrophobicContact CE1-CE1 4.11Å; F71-F169 HydrophobicContact CE1-CG 4.45Å; F71-F169 AromaticContact CE2-CD1 3.95Å; F71-F169 HydrophobicContact CE2-CD1 3.95Å; F71-F169 AromaticContact CE2-CE1 3.71Å; F71-F169 HydrophobicContact CE2-CE1 3.71Å; F71-F169 AromaticContact CG-CD1 3.99Å; F71-F169 HydrophobicContact CG-CD1 3.99Å; F71-F169 HydrophobicContact CG-CE1 4.48Å; F71-F169 AromaticContact CZ-CD1 3.7Å; F71-F169 HydrophobicContact CZ-CD1 3.7Å; F71-F169 AromaticContact CZ-CE1 3.7Å; F71-F169 HydrophobicContact CZ-CE1 3.7Å; V110-F169 HydrophobicContact CG1-CB 3.8Å; V110-F169 HydrophobicContact CG1-CD2 4.03Å; V110-F169 HydrophobicContact CG1-CG 4.27Å; V110-F169 HydrophobicContact CG2-CB 4.09Å; I114-F169 HydrophobicContact CG1-CE2 4.43Å; C118-F169 HydrophobicContact CB-CE2 4.19Å; C118-F169 HydrophobicContact CB-CZ 4.13Å; Y120-F169 HydrophobicContact CD2-CE1 4.29Å; Y120-F169 AromaticContact CD2-CE2 3.75Å; Y120-F169 HydrophobicContact CD2-CE2 3.75Å; Y120-F169 AromaticContact CD2-CZ 3.53Å; Y120-F169 HydrophobicContact CD2-CZ 3.53Å; Y120-F169 AromaticContact CE2-CE1 3.76Å; Y120-F169 HydrophobicContact CE2-CE1 3.76Å; Y120-F169 HydrophobicContact CE2-CE2 4.08Å; Y120-F169 AromaticContact CE2-CZ 3.42Å; Y120-F169 HydrophobicContact CE2-CZ 3.42Å; Y120-F169 VanDerWaalsContact CE2-CZ 3.42Å; V165-F169 HydrophobicContact CG1-CD2 3.88Å; V165-F169 HydrophobicContact CG1-CE2 3.69Å; V165-F169 WeakPolarHBondContact O-CD2 3.44Å; V165-F169 PolarHBondContact O-N 2.88Å; R166-F169 PolarHBondContact O-N 3.31Å; K167-F169 VanDerWaalsContact C-N 3.32Å; K167-F169 PolarHBondContact O-N 3.48Å
170L95.8Very high91.4Very high60 Ų6061.9 Ų61.931%0.31434%0.335SS..Hα-helixtrans-80.3-36.1-178-67175.9000112.9Q106 E107 V110 R166 K167 P172Q106-L170 HydrophobicContact CG-CD2 4.18Å; E107-L170 HydrophobicContact CG-CD1 3.95Å; E107-L170 HydrophobicContact CG-CD2 4.24Å; V110-L170 HydrophobicContact CG2-CD2 3.91Å; V110-L170 HydrophobicContact CG2-CG 4.42Å; R166-L170 HydrophobicContact CG-CD1 3.78Å; R166-L170 HydrophobicContact CG-CG 4.4Å; R166-L170 WeakPolarHBondContact O-CG 3.43Å; R166-L170 PolarHBondContact O-N 3.23Å; K167-L170 PolarHBondContact O-N 3.05Å; L170-P172 VanDerWaalsContact C-CD 3.44Å
171E94Very high91Very high130 Ų13068.4 Ų68.461%0.60737%0.366SS*.SBendtrans-128.761.8-176.3-61.4175-171.600110.4K167K167-E171 WeakPolarHBondContact CE-OE2 3.38Å; K167-E171 HydrophobicContact CG-CB 4.44Å; K167-E171 IonicContact NZ-OE2 2.56Å; K167-E171 WeakPolarHBondContact O-CA 3.47Å; K167-E171 PolarHBondContact O-N 3.47Å
172P91.8Very high90.7Very high27 Ų2767.3 Ų67.318%0.17536%0.357CS..  trans-70.5148-179.229.1-35.1000111.8A47 F71 L168 L170 V174A47-P172 HydrophobicContact CB-CB 3.71Å; A47-P172 HydrophobicContact CB-CG 4.1Å; F71-P172 HydrophobicContact CD1-CB 3.93Å; F71-P172 HydrophobicContact CD1-CG 4.01Å; F71-P172 HydrophobicContact CE1-CB 3.94Å; L168-P172 VanDerWaalsContact O-CA 3.25Å; L168-P172 WeakPolarHBondContact O-CA 3.47Å; L168-P172 WeakPolarHBondContact O-CB 3.4Å; L170-P172 VanDerWaalsContact C-CD 3.44Å; P172-V174 HydrophobicContact CB-CG1 4.14Å; P172-V174 HydrophobicContact CG-CG1 4.04Å; P172-V174 PolarHBondContact O-N 2.91Å; P172-V174 VanDerWaalsContact O-N 3.08Å
173D90Very high90.5Very high111 Ų11171.1 Ų71.159%0.59438%0.378SS*.  trans-70.1102.8170.1-70-43000109.6G43G43-D173 WeakPolarHBondContact CA-O 3.23Å
174V90.9Very high90.2Very high53 Ų5372.3 Ų72.332%0.32138%0.379SS..  trans-127.7149.3-179.7-64.10000110.9A47 A51 P172A47-V174 HydrophobicContact CB-CG1 3.98Å; A51-V174 HydrophobicContact CB-CB 4.13Å; A51-V174 HydrophobicContact CB-CG1 4.12Å; A51-V174 HydrophobicContact CB-CG2 3.86Å; P172-V174 HydrophobicContact CB-CG1 4.14Å; P172-V174 HydrophobicContact CG-CG1 4.04Å; P172-V174 PolarHBondContact O-N 2.91Å; P172-V174 VanDerWaalsContact O-N 3.08Å
175C87Confident90Very high25 Ų2572.9 Ų72.917%0.16938%0.376CS..  trans-61.6142.4170.6-57.90000110.4V40 Q48 C177V40-C175 WeakPolarHBondContact CG2-SG 3.45Å; Q48-C175 PolarHBondContact NE2-O 3.45Å; C175-C177 PolarHBondContact O-N 2.96Å
176D87.3Confident89.8Confident94 Ų9476.9 Ų76.950%0.50340%0.398SS..  trans-59.8114.4175.4176.611.1000110.6S178 N179D176-S178 VanDerWaalsContact C-N 3.3Å; D176-S178 PolarHBondContact O-N 3.37Å; D176-S178 WeakPolarHBondContact OD1-CB 3.48Å; D176-S178 PolarHBondContact OD1-N 3.26Å; D176-S178 PolarHBondContact OD1-OG 3.11Å; D176-S178 PolarHBondContact OD2-OG 3.4Å; D176-N179 PolarHBondContact OD2-ND2 3.44Å
177C86.7Confident89.7Confident15 Ų1576.1 Ų76.110%0.10140%0.397CS..G310 helixtrans-68.4-28.4-178-740000112.5A55 L57 C175 N179 L180A55-C177 HydrophobicContact CB-CB 3.71Å; L57-C177 HydrophobicContact CD1-CB 3.48Å; L57-C177 VanDerWaalsContact CD1-CB 3.48Å; L57-C177 WeakPolarHBondContact CD1-O 3.2Å; C175-C177 PolarHBondContact O-N 2.96Å; C177-N179 PolarHBondContact O-N 3.29Å; C177-N179 VanDerWaalsContact O-N 3.16Å; C177-L180 PolarHBondContact O-N 2.88Å; C177-L180 VanDerWaalsContact O-N 3.17Å
178S83.8Confident89.7Confident95 Ų9574 Ų7466%0.66439%0.391SS*.G310 helixtrans-64.3-24.7-174.869.10000113.7D176D176-S178 VanDerWaalsContact C-N 3.3Å; D176-S178 PolarHBondContact O-N 3.37Å; D176-S178 WeakPolarHBondContact OD1-CB 3.48Å; D176-S178 PolarHBondContact OD1-N 3.26Å; D176-S178 PolarHBondContact OD1-OG 3.11Å; D176-S178 PolarHBondContact OD2-OG 3.4Å
179N80.6Confident89.8Confident127 Ų12773.2 Ų73.268%0.67939%0.386SS*.G310 helixtrans-99.10.2-178.2-69.6-53.1000113.6D176 C177 Q181D176-N179 PolarHBondContact OD2-ND2 3.44Å; C177-N179 PolarHBondContact O-N 3.29Å; C177-N179 VanDerWaalsContact O-N 3.16Å; N179-Q181 PolarHBondContact O-N 3.31Å
180L84.9Confident89.8Confident39 Ų3978.5 Ų78.520%0.20441%0.411CS..  trans-79.8121.9-178.9-68.8174.4000111.3I37 M52 C177I37-L180 HydrophobicContact CD1-CD1 3.82Å; I37-L180 HydrophobicContact CD1-CD2 4.24Å; I37-L180 HydrophobicContact CG1-CD2 4.23Å; I37-L180 HydrophobicContact CG2-CD2 4.47Å; M52-L180 HydrophobicContact CG-CD1 4.18Å; M52-L180 HydrophobicContact SD-CD1 4.32Å; C177-L180 PolarHBondContact O-N 2.88Å; C177-L180 VanDerWaalsContact O-N 3.17Å
181Q84.2Confident89.9Confident160 Ų16076.4 Ų76.475%0.74840%0.403SS*.  trans-109.3111.4170.9-66-1736.200110.6N179 N183N179-Q181 PolarHBondContact O-N 3.31Å; Q181-N183 PolarHBondContact O-N 2.8Å
182L87.7Confident90Very high38 Ų3870.5 Ų70.520%0.19938%0.376CS..  trans-9390.8177.8-58.1176.8000109.4P35 I37 M52 V58 W184P35-L182 HydrophobicContact CB-CD2 4.36Å; P35-L182 HydrophobicContact CG-CB 4.32Å; I37-L182 HydrophobicContact CD1-CD2 4.11Å; I37-L182 HydrophobicContact CG1-CD2 4.35Å; M52-L182 HydrophobicContact CE-CD1 3.68Å; M52-L182 HydrophobicContact CE-CD2 4.22Å; M52-L182 HydrophobicContact CE-CG 4.45Å; V58-L182 HydrophobicContact CG1-CD1 3.71Å; L182-W184 HydrophobicContact CB-CH2 4.02Å; L182-W184 HydrophobicContact CB-CZ3 3.75Å; L182-W184 VanDerWaalsContact O-CE3 3.31Å; L182-W184 WeakPolarHBondContact O-CZ3 3.23Å
183N89.2Confident90.2Very high102 Ų10269.5 Ų69.555%0.54537%0.37SS..  trans-105.2118.5-177.9-66-40.9000110.8Q181Q181-N183 PolarHBondContact O-N 2.8Å
184W90.1Very high90.5Very high149 Ų14968 Ų6856%0.56436%0.362SS*.PPolyproline II helixtrans-87.7118171.5-74.4-99.1000110.8G33 P35 L182 R218G33-W184 WeakPolarHBondContact O-CA 3.42Å; P35-W184 HydrophobicContact CG-CD2 3.86Å; P35-W184 HydrophobicContact CG-CE3 4.16Å; P35-W184 HydrophobicContact CG-CG 4.36Å; P35-W184 HydrophobicContact CG-CH2 4.18Å; P35-W184 HydrophobicContact CG-CZ2 3.89Å; P35-W184 HydrophobicContact CG-CZ3 4.31Å; L182-W184 HydrophobicContact CB-CH2 4.02Å; L182-W184 HydrophobicContact CB-CZ3 3.75Å; L182-W184 VanDerWaalsContact O-CE3 3.31Å; L182-W184 WeakPolarHBondContact O-CZ3 3.23Å; W184-R218 PolarHBondContact O-NH2 3.23Å
185T91.2Very high90.8Very high78 Ų7865.9 Ų65.948%0.47935%0.348SS..PPolyproline II helixtrans-98.8171.3178.862.50000111.7G33 R218G33-T185 WeakPolarHBondContact CA-OG1 3.34Å; G33-T185 PolarHBondContact O-N 3.07Å; T185-R218 WeakPolarHBondContact O-CD 3.28Å; T185-R218 PolarHBondContact O-NE 3.16Å
186D91.1Very high91.2Very high93 Ų9366.2 Ų66.250%0.49735%0.348SS..PPolyproline II helixtrans-65.4142.3168.9-79.8-78000110.5R218D186-R218 IonicContact OD1-CZ 2.95Å; D186-R218 IonicContact OD1-NH1 3.45Å; D186-R218 PolarHBondContact OD1-NH1 3.22Å; D186-R218 IonicContact OD2-CZ 3.31Å; D186-R218 IonicContact OD2-NH1 3.58Å; D186-R218 PolarHBondContact OD2-NH1 2.8Å; D186-R218 VanDerWaalsContact OD2-NH1 3.11Å; D186-R218 IonicContact OD2-NH2 3.99Å; D186-R218 PolarHBondContact OD2-NH2 2.83Å
187P94Very high91.5Very high17 Ų1762.4 Ų62.411%0.1133%0.329CS..PPolyproline II helixtrans-68.5135.7175.727.7-33.5000111.1L31 E189 L192 L214 R215L31-P187 CarbonylContact O-C 3.24Å; L31-P187 WeakPolarHBondContact O-CA 3.23Å; P187-E189 PolarHBondContact O-N 3.44Å; P187-L192 HydrophobicContact CB-CD1 4.46Å; P187-L214 HydrophobicContact CB-CD2 3.9Å; P187-L214 HydrophobicContact CB-CG 4.44Å; P187-L214 HydrophobicContact CG-CD2 4.28Å; P187-L214 HydrophobicContact CG-CG 4.28Å; P187-R215 HydrophobicContact CG-CB 4.03Å
188D95.3Very high91.8Very high81 Ų8166.7 Ų66.743%0.43335%0.351SS..  trans-8190.7171.3-177.92.1000109.7L31 E190 G191 L192L31-D188 HydrophobicContact CD2-CB 4.14Å; L31-D188 PolarHBondContact O-N 2.85Å; D188-E190 PolarHBondContact O-N 3.25Å; D188-E190 PolarHBondContact OD1-N 3.44Å; D188-G191 PolarHBondContact O-N 3.26Å; D188-G191 PolarHBondContact OD1-N 3.25Å; D188-L192 WeakPolarHBondContact O-CB 3.41Å; D188-L192 VanDerWaalsContact O-CG 3.31Å; D188-L192 WeakPolarHBondContact O-CG 3.4Å; D188-L192 PolarHBondContact O-N 3.47Å
189E95Very high92.3Very high43 Ų4367 Ų6720%0.20134%0.342CS..Hα-helixtrans-60.6-42.7-176.8-173.1174163.800112.5P187 L192 V193 R208 A211 R215P187-E189 PolarHBondContact O-N 3.44Å; E189-L192 PolarHBondContact O-N 3.26Å; E189-V193 WeakPolarHBondContact O-CG2 3.42Å; E189-V193 PolarHBondContact O-N 2.9Å; E189-R208 IonicContact OE1-NH1 2.75Å; E189-A211 HydrophobicContact CB-CB 4.3Å; E189-A211 HydrophobicContact CG-CB 3.91Å; E189-R215 IonicContact OE2-CZ 3.39Å; E189-R215 IonicContact OE2-NH1 2.9Å; E189-R215 PolarHBondContact OE2-NH1 3.45Å; E189-R215 IonicContact OE2-NH2 2.98Å
190E96.2Very high92.9Very high112 Ų11264.2 Ų64.252%0.52332%0.324SS..Hα-helixtrans-72.9-38.6179.9-66.1-55.2130.700111.3D188 L192 V193 N194 R208D188-E190 PolarHBondContact O-N 3.25Å; D188-E190 PolarHBondContact OD1-N 3.44Å; E190-L192 VanDerWaalsContact C-N 3.35Å; E190-L192 PolarHBondContact O-N 2.94Å; E190-V193 PolarHBondContact O-N 3.15Å; E190-N194 WeakPolarHBondContact O-CB 3Å; E190-N194 PolarHBondContact O-N 3.12Å; E190-R208 IonicContact OE1-CZ 3.73Å; E190-R208 IonicContact OE1-NH1 2.67Å; E190-R208 PolarHBondContact OE1-NH1 3.21Å; E190-R208 IonicContact OE1-NH2 2.64Å; E190-R208 PolarHBondContact OE1-NH2 2.98Å; E190-R208 IonicContact OE2-NH2 3.8Å; E190-R208 PolarHBondContact OE2-NH2 3.46Å
191G96.5Very high93.4Very high15 Ų1567.5 Ų67.516%0.15535%0.35CS..Hα-helixtrans-61.8-41.1172.600000112.6D188 N194 F195D188-G191 PolarHBondContact O-N 3.26Å; D188-G191 PolarHBondContact OD1-N 3.25Å; G191-N194 PolarHBondContact O-N 2.95Å; G191-F195 WeakPolarHBondContact O-CB 3.36Å; G191-F195 PolarHBondContact O-N 3.45Å
192L96.3Very high93.9Very high7 Ų766 Ų664%0.03734%0.341CS..Hα-helixtrans-62.9-45.2174-77.4171.4000112.1L31 M32 P187 D188 E189 E190 F195 L196 V207 A211L31-L192 HydrophobicContact CB-CD2 3.58Å; L31-L192 HydrophobicContact CB-CG 3.85Å; L31-L192 HydrophobicContact CD1-CD2 4.35Å; M32-L192 HydrophobicContact CG-CD1 4.32Å; M32-L192 HydrophobicContact CG-CD2 4.04Å; P187-L192 HydrophobicContact CB-CD1 4.46Å; D188-L192 WeakPolarHBondContact O-CB 3.41Å; D188-L192 VanDerWaalsContact O-CG 3.31Å; D188-L192 WeakPolarHBondContact O-CG 3.4Å; D188-L192 PolarHBondContact O-N 3.47Å; E189-L192 PolarHBondContact O-N 3.26Å; E190-L192 VanDerWaalsContact C-N 3.35Å; E190-L192 PolarHBondContact O-N 2.94Å; L192-F195 PolarHBondContact O-N 3.26Å; L192-L196 HydrophobicContact CD2-CD1 4.12Å; L192-L196 VanDerWaalsContact O-CB 3.28Å; L192-L196 WeakPolarHBondContact O-CB 3.42Å; L192-L196 PolarHBondContact O-N 3.48Å; L192-V207 HydrophobicContact CB-CG1 3.99Å; L192-A211 HydrophobicContact CD1-CB 4Å
193V96.2Very high94.3Very high6 Ų666.7 Ų66.74%0.03635%0.352CS..Iπ-helixtrans-63.4-45.1177.7167.80000110.7E189 E190 F195 S197 N198 E204 V207 R208E189-V193 WeakPolarHBondContact O-CG2 3.42Å; E189-V193 PolarHBondContact O-N 2.9Å; E190-V193 PolarHBondContact O-N 3.15Å; V193-F195 PolarHBondContact O-N 3.47Å; V193-S197 WeakPolarHBondContact O-CA 3.45Å; V193-S197 WeakPolarHBondContact O-CB 3.5Å; V193-S197 PolarHBondContact O-N 2.99Å; V193-S197 PolarHBondContact O-OG 3.47Å; V193-N198 PolarHBondContact O-N 3.31Å; V193-E204 HydrophobicContact CG1-CG 3.84Å; V193-E204 HydrophobicContact CG2-CG 4.36Å; V193-V207 HydrophobicContact CG2-CB 4.49Å; V193-V207 HydrophobicContact CG2-CG1 4.01Å; V193-R208 HydrophobicContact CG2-CG 3.57Å
194N96.5Very high94.5Very high80 Ų8065.7 Ų65.743%0.42834%0.344SS..Iπ-helixtrans-62.6-46179.1-172.755000111.6E190 G191 N198 E199E190-N194 WeakPolarHBondContact O-CB 3Å; E190-N194 PolarHBondContact O-N 3.12Å; G191-N194 PolarHBondContact O-N 2.95Å; N194-N198 VanDerWaalsContact O-CB 3.24Å; N194-N198 WeakPolarHBondContact O-CB 3.24Å; N194-N198 PolarHBondContact O-N 3.34Å; N194-N198 PolarHBondContact OD1-ND2 3.27Å; N194-E199 PolarHBondContact O-N 3.01Å
195F96.6Very high94.8Very high7 Ų765.2 Ų65.23%0.03135%0.352CS..Iπ-helixtrans-71.5-53.2-178.8-175.6-117.4000112.5E24 K27 V28 L31 G191 L192 V193 E199 K200E24-F195 HydrophobicContact CB-CZ 4.29Å; E24-F195 HydrophobicContact CG-CZ 4.16Å; K27-F195 HydrophobicContact CD-CD2 3.81Å; K27-F195 HydrophobicContact CD-CE1 4.4Å; K27-F195 HydrophobicContact CD-CE2 3.65Å; K27-F195 HydrophobicContact CD-CG 4.25Å; K27-F195 HydrophobicContact CD-CZ 3.96Å; K27-F195 VanDerWaalsContact CE-CD2 3.44Å; K27-F195 HydrophobicContact CG-CD1 4.5Å; K27-F195 HydrophobicContact CG-CE1 4.46Å; K27-F195 HydrophobicContact CG-CZ 4.46Å; V28-F195 HydrophobicContact CG2-CD1 3.88Å; V28-F195 HydrophobicContact CG2-CE1 3.58Å; L31-F195 HydrophobicContact CD1-CB 3.83Å; L31-F195 HydrophobicContact CD1-CD1 4.3Å; L31-F195 HydrophobicContact CD1-CG 4.27Å; G191-F195 WeakPolarHBondContact O-CB 3.36Å; G191-F195 PolarHBondContact O-N 3.45Å; L192-F195 PolarHBondContact O-N 3.26Å; V193-F195 PolarHBondContact O-N 3.47Å; F195-E199 HydrophobicContact CD2-CB 4.45Å; F195-E199 VanDerWaalsContact CD2-OE2 3.29Å; F195-E199 WeakPolarHBondContact CD2-OE2 3.31Å; F195-E199 WeakPolarHBondContact CE2-OE2 3.49Å; F195-E199 WeakPolarHBondContact O-CB 3.4Å; F195-E199 PolarHBondContact O-N 3.45Å; F195-K200 HydrophobicContact CE1-CG 4.48Å; F195-K200 HydrophobicContact CE2-CG 4.5Å; F195-K200 HydrophobicContact CZ-CG 4.3Å; F195-K200 PolarHBondContact O-N 2.87Å; F195-K200 VanDerWaalsContact O-N 3.11Å
196L96.1Very high95Very high33 Ų3371.4 Ų71.417%0.17337%0.367CS..Iπ-helixtrans-76.6-42.8-173.6-65.3174.4000112.1V28 L192 K200 S201 F202 V207V28-L196 HydrophobicContact CG2-CD2 4.02Å; L192-L196 HydrophobicContact CD2-CD1 4.12Å; L192-L196 VanDerWaalsContact O-CB 3.28Å; L192-L196 WeakPolarHBondContact O-CB 3.42Å; L192-L196 PolarHBondContact O-N 3.48Å; L196-K200 CarbonylContact O-C 3.57Å; L196-K200 VanDerWaalsContact O-C 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.39Å; L196-K200 WeakPolarHBondContact O-CB 3.41Å; L196-K200 PolarHBondContact O-N 2.93Å; L196-S201 PolarHBondContact O-N 3.4Å; L196-S201 VanDerWaalsContact O-N 3.14Å; L196-F202 HydrophobicContact CB-CB 4.24Å; L196-F202 HydrophobicContact CB-CD2 4.35Å; L196-F202 HydrophobicContact CB-CG 4.46Å; L196-F202 HydrophobicContact CD2-CD2 4.37Å; L196-F202 HydrophobicContact CD2-CE2 4.48Å; L196-F202 WeakPolarHBondContact O-CB 3.28Å; L196-F202 WeakPolarHBondContact O-CD2 3.41Å; L196-F202 PolarHBondContact O-N 2.95Å; L196-V207 HydrophobicContact CB-CG1 4.33Å; L196-V207 HydrophobicContact CB-CG2 3.82Å; L196-V207 HydrophobicContact CD1-CG1 4.07Å; L196-V207 HydrophobicContact CD1-CG2 4.24Å
197S93.5Very high95.2Very high14 Ų1467.7 Ų67.710%0.09835%0.348CS..Iπ-helixtrans-82-50.6-176.2-43.60000111.8V193 S201 F202 E204V193-S197 WeakPolarHBondContact O-CA 3.45Å; V193-S197 WeakPolarHBondContact O-CB 3.5Å; V193-S197 PolarHBondContact O-N 2.99Å; V193-S197 PolarHBondContact O-OG 3.47Å; S197-S201 VanDerWaalsContact O-CA 3.23Å; S197-S201 WeakPolarHBondContact O-CA 3.32Å; S197-S201 PolarHBondContact O-N 3.2Å; S197-S201 VanDerWaalsContact O-N 3.16Å; S197-F202 WeakPolarHBondContact CA-O 3.34Å; S197-E204 WeakPolarHBondContact OG-CA 3.39Å
198N92.9Very high95.3Very high105 Ų10569.9 Ų69.956%0.56135%0.354SS*.Iπ-helixtrans-79.7-45.6-173.5-55.1-25000112.4V193 N194V193-N198 PolarHBondContact O-N 3.31Å; N194-N198 VanDerWaalsContact O-CB 3.24Å; N194-N198 WeakPolarHBondContact O-CB 3.24Å; N194-N198 PolarHBondContact O-N 3.34Å; N194-N198 PolarHBondContact OD1-ND2 3.27Å
199E94.7Very high95.3Very high101 Ų10168.9 Ų68.947%0.47235%0.353SS..Iπ-helixtrans-84.2-40.6-178.4-56.3175.4-14400112.2K27 N194 F195K27-E199 IonicContact NZ-OE1 3.61Å; K27-E199 IonicContact NZ-OE2 3.61Å; N194-E199 PolarHBondContact O-N 3.01Å; F195-E199 HydrophobicContact CD2-CB 4.45Å; F195-E199 VanDerWaalsContact CD2-OE2 3.29Å; F195-E199 WeakPolarHBondContact CD2-OE2 3.31Å; F195-E199 WeakPolarHBondContact CE2-OE2 3.49Å; F195-E199 WeakPolarHBondContact O-CB 3.4Å; F195-E199 PolarHBondContact O-N 3.45Å
200K93.8Very high95.2Very high69 Ų6968.6 Ų68.630%0.336%0.362SS..THydrogen-bonded Turntrans-103.23.5-174.2-58-63-178.2178.10114.8E24 F195 L196 F202E24-K200 VanDerWaalsContact CD-CE 3.5Å; E24-K200 WeakPolarHBondContact OE1-CE 3.36Å; E24-K200 IonicContact OE1-NZ 3.56Å; E24-K200 PolarHBondContact OE1-NZ 2.96Å; E24-K200 WeakPolarHBondContact OE2-CE 3.45Å; E24-K200 IonicContact OE2-NZ 2.79Å; E24-K200 PolarHBondContact OE2-NZ 3.42Å; E24-K200 VanDerWaalsContact OE2-NZ 3.17Å; F195-K200 HydrophobicContact CE1-CG 4.48Å; F195-K200 HydrophobicContact CE2-CG 4.5Å; F195-K200 HydrophobicContact CZ-CG 4.3Å; F195-K200 PolarHBondContact O-N 2.87Å; F195-K200 VanDerWaalsContact O-N 3.11Å; L196-K200 CarbonylContact O-C 3.57Å; L196-K200 VanDerWaalsContact O-C 3.24Å; L196-K200 WeakPolarHBondContact O-CA 3.39Å; L196-K200 WeakPolarHBondContact O-CB 3.41Å; L196-K200 PolarHBondContact O-N 2.93Å; K200-F202 VanDerWaalsContact C-N 3.27Å; K200-F202 HydrophobicContact CB-CD2 3.73Å; K200-F202 HydrophobicContact CB-CE2 3.89Å; K200-F202 PolarHBondContact O-N 3.34Å
201S94.1Very high95.1Very high108 Ų10863.4 Ų63.476%0.75534%0.338SS*.  trans58.929.3174.7-570000115L196 S197L196-S201 PolarHBondContact O-N 3.4Å; L196-S201 VanDerWaalsContact O-N 3.14Å; S197-S201 VanDerWaalsContact O-CA 3.23Å; S197-S201 WeakPolarHBondContact O-CA 3.32Å; S197-S201 PolarHBondContact O-N 3.2Å; S197-S201 VanDerWaalsContact O-N 3.16Å
202F94.6Very high94.9Very high128 Ų12864 Ų6456%0.56134%0.341SS*.  trans-74.9154.5169-75.7-100.9000111.1L196 S197 K200 E204 V207L196-F202 HydrophobicContact CB-CB 4.24Å; L196-F202 HydrophobicContact CB-CD2 4.35Å; L196-F202 HydrophobicContact CB-CG 4.46Å; L196-F202 HydrophobicContact CD2-CD2 4.37Å; L196-F202 HydrophobicContact CD2-CE2 4.48Å; L196-F202 WeakPolarHBondContact O-CB 3.28Å; L196-F202 WeakPolarHBondContact O-CD2 3.41Å; L196-F202 PolarHBondContact O-N 2.95Å; S197-F202 WeakPolarHBondContact CA-O 3.34Å; K200-F202 VanDerWaalsContact C-N 3.27Å; K200-F202 HydrophobicContact CB-CD2 3.73Å; K200-F202 HydrophobicContact CB-CE2 3.89Å; K200-F202 PolarHBondContact O-N 3.34Å; F202-E204 PolarHBondContact O-N 3.13Å; F202-V207 HydrophobicContact CB-CG2 4.03Å
203A95.8Very high94.7Very high52 Ų5270.6 Ų70.643%0.4337%0.37SS..  trans-68.8118.1177.300000111.1D205 R206 V207A203-D205 VanDerWaalsContact C-N 3.32Å; A203-D205 PolarHBondContact O-N 3.46Å; A203-R206 HydrophobicContact CB-CB 4.37Å; A203-R206 HydrophobicContact CB-CG 4.09Å; A203-R206 WeakPolarHBondContact O-CB 3.35Å; A203-R206 PolarHBondContact O-N 3.12Å; A203-V207 PolarHBondContact O-N 3.35Å
204E95.4Very high94.5Very high82 Ų8272.5 Ų72.538%0.38338%0.38SS..Hα-helixtrans-54.2-45.1-175.7-178.5175.2169.600113.1V193 S197 F202 R206 V207 R208V193-E204 HydrophobicContact CG1-CG 3.84Å; V193-E204 HydrophobicContact CG2-CG 4.36Å; S197-E204 WeakPolarHBondContact OG-CA 3.39Å; F202-E204 PolarHBondContact O-N 3.13Å; E204-R206 PolarHBondContact O-N 3.26Å; E204-V207 PolarHBondContact O-N 3.45Å; E204-R208 HydrophobicContact CG-CG 4.29Å; E204-R208 PolarHBondContact O-N 3.13Å; E204-R208 IonicContact OE1-CZ 3.45Å; E204-R208 VanDerWaalsContact OE1-CZ 3.31Å; E204-R208 IonicContact OE1-NE 2.88Å; E204-R208 PolarHBondContact OE1-NE 2.89Å; E204-R208 IonicContact OE1-NH2 3.11Å; E204-R208 PolarHBondContact OE1-NH2 2.82Å
205D95.8Very high94.2Very high138 Ų13872.8 Ų72.874%0.73838%0.375SS*.Hα-helixtrans-56.6-36.5178.5-63.6-33.7000112.3A203 S209A203-D205 VanDerWaalsContact C-N 3.32Å; A203-D205 PolarHBondContact O-N 3.46Å; D205-S209 VanDerWaalsContact O-CB 3.23Å; D205-S209 WeakPolarHBondContact O-CB 3.33Å; D205-S209 PolarHBondContact O-N 2.87Å
206R94.9Very high93.8Very high208 Ų20876.8 Ų76.879%0.78540%0.396SS*.Hα-helixtrans-72.1-39.8177.8-66.1-172.5178.8178.80.5111.3A203 E204 G210A203-R206 HydrophobicContact CB-CB 4.37Å; A203-R206 HydrophobicContact CB-CG 4.09Å; A203-R206 WeakPolarHBondContact O-CB 3.35Å; A203-R206 PolarHBondContact O-N 3.12Å; E204-R206 PolarHBondContact O-N 3.26Å; R206-G210 PolarHBondContact O-N 3.43Å
207V95.4Very high93.4Very high15 Ų1578.2 Ų78.29%0.09141%0.413CS..Hα-helixtrans-64.2-50.1178.2178.90000110.1L192 V193 L196 F202 A203 E204 S209 G210 A211L192-V207 HydrophobicContact CB-CG1 3.99Å; V193-V207 HydrophobicContact CG2-CB 4.49Å; V193-V207 HydrophobicContact CG2-CG1 4.01Å; L196-V207 HydrophobicContact CB-CG1 4.33Å; L196-V207 HydrophobicContact CB-CG2 3.82Å; L196-V207 HydrophobicContact CD1-CG1 4.07Å; L196-V207 HydrophobicContact CD1-CG2 4.24Å; F202-V207 HydrophobicContact CB-CG2 4.03Å; A203-V207 PolarHBondContact O-N 3.35Å; E204-V207 PolarHBondContact O-N 3.45Å; V207-S209 PolarHBondContact O-N 3.11Å; V207-G210 PolarHBondContact O-N 3.15Å; V207-G210 VanDerWaalsContact O-N 3.15Å; V207-A211 PolarHBondContact O-N 2.92Å
208R95.4Very high92.9Very high64 Ų6482.2 Ų82.224%0.24243%0.426CS..Hα-helixtrans-60.7-43.3177-68.8-171.7-179.9-76.8-1112.1E189 E190 V193 E204 G210 A211 A212E189-R208 IonicContact OE1-NH1 2.75Å; E190-R208 IonicContact OE1-CZ 3.73Å; E190-R208 IonicContact OE1-NH1 2.67Å; E190-R208 PolarHBondContact OE1-NH1 3.21Å; E190-R208 IonicContact OE1-NH2 2.64Å; E190-R208 PolarHBondContact OE1-NH2 2.98Å; E190-R208 IonicContact OE2-NH2 3.8Å; E190-R208 PolarHBondContact OE2-NH2 3.46Å; V193-R208 HydrophobicContact CG2-CG 3.57Å; E204-R208 HydrophobicContact CG-CG 4.29Å; E204-R208 PolarHBondContact O-N 3.13Å; E204-R208 IonicContact OE1-CZ 3.45Å; E204-R208 VanDerWaalsContact OE1-CZ 3.31Å; E204-R208 IonicContact OE1-NE 2.88Å; E204-R208 PolarHBondContact OE1-NE 2.89Å; E204-R208 IonicContact OE1-NH2 3.11Å; E204-R208 PolarHBondContact OE1-NH2 2.82Å; R208-G210 VanDerWaalsContact C-N 3.33Å; R208-G210 PolarHBondContact O-N 2.98Å; R208-A211 PolarHBondContact O-N 3.43Å; R208-A212 WeakPolarHBondContact O-CB 3.36Å; R208-A212 PolarHBondContact O-N 3.02Å
209S95.1Very high92.2Very high59 Ų5985.9 Ų85.941%0.41343%0.432SS..Hα-helixtrans-61-41.8175.2-172.30000112.2D205 V207 K213D205-S209 VanDerWaalsContact O-CB 3.23Å; D205-S209 WeakPolarHBondContact O-CB 3.33Å; D205-S209 PolarHBondContact O-N 2.87Å; V207-S209 PolarHBondContact O-N 3.11Å; S209-K213 WeakPolarHBondContact O-CG 3.08Å; S209-K213 PolarHBondContact O-N 3.18Å
210G93.5Very high91.2Very high37 Ų3785.9 Ų85.938%0.38144%0.439SS..Hα-helixtrans-62.8-48.2175.400000112.8R206 V207 R208 A212 K213 L214R206-G210 PolarHBondContact O-N 3.43Å; V207-G210 PolarHBondContact O-N 3.15Å; V207-G210 VanDerWaalsContact O-N 3.15Å; R208-G210 VanDerWaalsContact C-N 3.33Å; R208-G210 PolarHBondContact O-N 2.98Å; G210-A212 PolarHBondContact O-N 2.9Å; G210-K213 PolarHBondContact O-N 3.43Å; G210-L214 PolarHBondContact O-N 3.43Å
211A93.4Very high89.6Confident4 Ų487.9 Ų87.93%0.03346%0.461CS..Hα-helixtrans-61-42.3177.400000112E189 L192 V207 R208 K213 L214 R215E189-A211 HydrophobicContact CB-CB 4.3Å; E189-A211 HydrophobicContact CG-CB 3.91Å; L192-A211 HydrophobicContact CD1-CB 4Å; V207-A211 PolarHBondContact O-N 2.92Å; R208-A211 PolarHBondContact O-N 3.43Å; A211-K213 PolarHBondContact O-N 2.83Å; A211-L214 PolarHBondContact O-N 3.46Å; A211-R215 WeakPolarHBondContact O-CB 3.4Å; A211-R215 PolarHBondContact O-N 2.94Å
212A92.6Very high88.2Confident27 Ų2788.7 Ų88.722%0.22346%0.462CS..Hα-helixtrans-62.7-41.9175.700000112.4R208 G210 R215 N216R208-A212 WeakPolarHBondContact O-CB 3.36Å; R208-A212 PolarHBondContact O-N 3.02Å; G210-A212 PolarHBondContact O-N 2.9Å; A212-R215 PolarHBondContact O-N 3.02Å; A212-N216 WeakPolarHBondContact O-CB 3.45Å; A212-N216 PolarHBondContact O-N 2.88Å; A212-N216 PolarHBondContact O-ND2 3Å
213K92.4Very high87.1Confident146 Ų14691.4 Ų91.464%0.63548%0.476SS*.Hα-helixtrans-61.6-45.1174.3-74.1173.9-176.4179.30111.6S209 G210 A211 N216 A217S209-K213 WeakPolarHBondContact O-CG 3.08Å; S209-K213 PolarHBondContact O-N 3.18Å; G210-K213 PolarHBondContact O-N 3.43Å; A211-K213 PolarHBondContact O-N 2.83Å; K213-N216 PolarHBondContact O-N 3.49Å; K213-A217 WeakPolarHBondContact O-CB 3.42Å; K213-A217 PolarHBondContact O-N 2.84Å
214L91.3Very high85.6Confident46 Ų4693.3 Ų93.324%0.24148%0.483CS..Hα-helixtrans-61.6-46178-179.160.2000111.8M32 P187 G210 A211 N216 A217 R218M32-L214 HydrophobicContact CB-CD2 3.8Å; M32-L214 HydrophobicContact CE-CD2 3.87Å; M32-L214 HydrophobicContact CG-CD2 4.04Å; M32-L214 WeakPolarHBondContact O-CD2 3.37Å; P187-L214 HydrophobicContact CB-CD2 3.9Å; P187-L214 HydrophobicContact CB-CG 4.44Å; P187-L214 HydrophobicContact CG-CD2 4.28Å; P187-L214 HydrophobicContact CG-CG 4.28Å; G210-L214 PolarHBondContact O-N 3.43Å; A211-L214 PolarHBondContact O-N 3.46Å; L214-N216 VanDerWaalsContact C-N 3.33Å; L214-N216 PolarHBondContact O-N 3.46Å; L214-A217 PolarHBondContact O-N 3.48Å; L214-R218 PolarHBondContact O-N 2.56Å; L214-R218 VanDerWaalsContact O-N 3.13Å
215R90.5Very high84.6Confident85 Ų8597 Ų9732%0.32149%0.493SS..Hα-helixtrans-59.5-43.2175.5-176.7172.565.1-146-4.6112P187 E189 A211 A212 R218 R219P187-R215 HydrophobicContact CG-CB 4.03Å; E189-R215 IonicContact OE2-CZ 3.39Å; E189-R215 IonicContact OE2-NH1 2.9Å; E189-R215 PolarHBondContact OE2-NH1 3.45Å; E189-R215 IonicContact OE2-NH2 2.98Å; A211-R215 WeakPolarHBondContact O-CB 3.4Å; A211-R215 PolarHBondContact O-N 2.94Å; A212-R215 PolarHBondContact O-N 3.02Å; R215-R218 PolarHBondContact O-N 2.88Å; R215-R219 PolarHBondContact O-N 2.67Å
216N89.7Confident83.7Confident91 Ų9196.1 Ų96.149%0.48749%0.487SS..Hα-helixtrans-67.4-41.1178.3-71.2-18.3000111.9A212 K213 L214 R218 R219 V220A212-N216 WeakPolarHBondContact O-CB 3.45Å; A212-N216 PolarHBondContact O-N 2.88Å; A212-N216 PolarHBondContact O-ND2 3Å; K213-N216 PolarHBondContact O-N 3.49Å; L214-N216 VanDerWaalsContact C-N 3.33Å; L214-N216 PolarHBondContact O-N 3.46Å; N216-R218 VanDerWaalsContact C-N 3.28Å; N216-R218 PolarHBondContact O-N 2.96Å; N216-R219 PolarHBondContact O-N 3.4Å; N216-R219 VanDerWaalsContact O-N 3.11Å; N216-V220 PolarHBondContact O-N 3.18Å
217A87Confident82.6Confident63 Ų6390 Ų9052%0.52147%0.47SS..Hα-helixtrans-60.3-37.1177.200000112.2K213 L214 R219 V220K213-A217 WeakPolarHBondContact O-CB 3.42Å; K213-A217 PolarHBondContact O-N 2.84Å; L214-A217 PolarHBondContact O-N 3.48Å; A217-R219 VanDerWaalsContact C-N 3.31Å; A217-R219 PolarHBondContact O-N 3.17Å; A217-V220 PolarHBondContact O-N 2.97Å
218R82.2Confident81.4Confident98 Ų9893.4 Ų93.437%0.3749%0.494SS..Hα-helixtrans-65.5-28175.1-91.3-173.975.4-110.116.4114.2W184 T185 D186 L214 R215 N216W184-R218 PolarHBondContact O-NH2 3.23Å; T185-R218 WeakPolarHBondContact O-CD 3.28Å; T185-R218 PolarHBondContact O-NE 3.16Å; D186-R218 IonicContact OD1-CZ 2.95Å; D186-R218 IonicContact OD1-NH1 3.45Å; D186-R218 PolarHBondContact OD1-NH1 3.22Å; D186-R218 IonicContact OD2-CZ 3.31Å; D186-R218 IonicContact OD2-NH1 3.58Å; D186-R218 PolarHBondContact OD2-NH1 2.8Å; D186-R218 VanDerWaalsContact OD2-NH1 3.11Å; D186-R218 IonicContact OD2-NH2 3.99Å; D186-R218 PolarHBondContact OD2-NH2 2.83Å; L214-R218 PolarHBondContact O-N 2.56Å; L214-R218 VanDerWaalsContact O-N 3.13Å; R215-R218 PolarHBondContact O-N 2.88Å; N216-R218 VanDerWaalsContact C-N 3.28Å; N216-R218 PolarHBondContact O-N 2.96Å
219R78.8Confident80.2Confident182 Ų18297.1 Ų97.169%0.68751%0.512SS*.Hα-helixtrans-80.4-19.5-179-69.6-179.7178.2-174-1.1113R215 N216 A217 S221R215-R219 PolarHBondContact O-N 2.67Å; N216-R219 PolarHBondContact O-N 3.4Å; N216-R219 VanDerWaalsContact O-N 3.11Å; A217-R219 VanDerWaalsContact C-N 3.31Å; A217-R219 PolarHBondContact O-N 3.17Å; R219-S221 PolarHBondContact O-N 3.27Å; R219-S221 VanDerWaalsContact O-N 3.14Å
220V74.5Confident78.9Confident102 Ų102100.9 Ų100.962%0.61852%0.522SS*.SBendtrans-67.6113.4173.7-177.60000107.1N216 A217 T222N216-V220 PolarHBondContact O-N 3.18Å; A217-V220 PolarHBondContact O-N 2.97Å; V220-T222 PolarHBondContact O-N 3.25Å
221S59.7Low77.6Confident110 Ų110107.7 Ų107.777%0.76954%0.544SS*.  trans-49114.4177.4170.80000109.5R219 Q223R219-S221 PolarHBondContact O-N 3.27Å; R219-S221 VanDerWaalsContact O-N 3.14Å; S221-Q223 PolarHBondContact O-N 2.95Å
222T65Low76.2Confident125 Ų125114.3 Ų114.377%0.76758%0.577SS**  trans-71.3100.1175.538.40000107.9V220 T224V220-T222 PolarHBondContact O-N 3.25Å; T222-T224 PolarHBondContact O-N 3.5Å
223Q70Confident74.5Confident186 Ų186118.1 Ų118.187%0.86960%0.603SS**  trans-60.1112.4172.6-174.6172.710.300108.7S221 R225S221-Q223 PolarHBondContact O-N 2.95Å; Q223-R225 PolarHBondContact O-N 3.45Å
224T66.2Low72.6Confident92 Ų92116.1 Ų116.156%0.56461%0.613SS**  trans-67.2131.9-179.8-34.60000109.3T222 F229T222-T224 PolarHBondContact O-N 3.5Å; T224-F229 HydrophobicContact CG2-CE2 3.62Å; T224-F229 HydrophobicContact CG2-CZ 3.75Å
225R74.1Confident70.4Confident160 Ų160117.7 Ų117.760%0.60463%0.633SS**  trans-72.5145.6177.2-74.6-167171.8-179-1.2110.3Q223 D227 S228 F229Q223-R225 PolarHBondContact O-N 3.45Å; R225-D227 PolarHBondContact O-N 2.79Å; R225-S228 VanDerWaalsContact O-CB 3.28Å; R225-S228 WeakPolarHBondContact O-CB 3.4Å; R225-S228 PolarHBondContact O-N 3.2Å; R225-S228 VanDerWaalsContact O-N 3.12Å; R225-S228 PolarHBondContact O-OG 2.89Å; R225-F229 WeakPolarHBondContact O-CD2 3.24Å
226I75.8Confident67.9Low119 Ų119119.5 Ų119.561%0.6166%0.656SS**G310 helixtrans-63.3-33.2177.8-128.1167000111.2S228 F229 F230I226-S228 PolarHBondContact O-N 2.75Å; I226-S228 VanDerWaalsContact O-N 3.17Å; I226-F229 WeakPolarHBondContact O-CB 3.34Å; I226-F229 PolarHBondContact O-N 3.14Å; I226-F230 HydrophobicContact CG1-CD2 4.18Å; I226-F230 HydrophobicContact CG1-CE2 4.07Å; I226-F230 WeakPolarHBondContact O-CD2 3.29Å; I226-F230 PolarHBondContact O-N 2.87Å
227D72.4Confident65.6Low80 Ų80119.1 Ų119.143%0.42866%0.66SS.*G310 helixtrans-65.2-18.3178.8-46.5-58.5000112.5R225 F229 F230R225-D227 PolarHBondContact O-N 2.79Å; D227-F229 PolarHBondContact O-N 3.46Å; D227-F230 VanDerWaalsContact O-O 3.14Å
228S71.1Confident63.1Low85 Ų85122.3 Ų122.359%0.59467%0.673SS**G310 helixtrans-72-18.6171.7-53.10000112.5R225 I226R225-S228 VanDerWaalsContact O-CB 3.28Å; R225-S228 WeakPolarHBondContact O-CB 3.4Å; R225-S228 PolarHBondContact O-N 3.2Å; R225-S228 VanDerWaalsContact O-N 3.12Å; R225-S228 PolarHBondContact O-OG 2.89Å; I226-S228 PolarHBondContact O-N 2.75Å; I226-S228 VanDerWaalsContact O-N 3.17Å
229F69.8Low60.7Low143 Ų143127 Ų12763%0.62770%0.696SS**THydrogen-bonded Turntrans-101.7-25.6179.4-60.7-82.1000113.2T224 R225 I226 D227T224-F229 HydrophobicContact CG2-CE2 3.62Å; T224-F229 HydrophobicContact CG2-CZ 3.75Å; R225-F229 WeakPolarHBondContact O-CD2 3.24Å; I226-F229 WeakPolarHBondContact O-CB 3.34Å; I226-F229 PolarHBondContact O-N 3.14Å; D227-F229 PolarHBondContact O-N 3.46Å
230F67.8Low58.4Low138 Ų138125.7 Ų125.761%0.60570%0.695SS**SBendtrans-126.6133.3-171.7-58.6-72.9000111.6I226 D227I226-F230 HydrophobicContact CG1-CD2 4.18Å; I226-F230 HydrophobicContact CG1-CE2 4.07Å; I226-F230 WeakPolarHBondContact O-CD2 3.29Å; I226-F230 PolarHBondContact O-N 2.87Å; D227-F230 VanDerWaalsContact O-O 3.14Å
231Q65.1Low56.3Low180 Ų180127 Ų12784%0.84170%0.703SS**  trans-74.6128.6172.8-70.9179.6-14.200110.1S233Q231-S233 PolarHBondContact O-N 3.26Å; Q231-S233 VanDerWaalsContact O-N 3.12Å
232L64.1Low55.1Low142 Ų142129.9 Ų129.974%0.74370%0.698SS**  trans-66.3110.1170.1-71.6168.2000109A234L232-A234 PolarHBondContact O-N 2.88Å
233S57.4Low53.4Low108 Ų108128.1 Ų128.176%0.75569%0.691SS**  trans-65.8130163.256.60000108.3Q231 A235Q231-S233 PolarHBondContact O-N 3.26Å; Q231-S233 VanDerWaalsContact O-N 3.12Å; S233-A235 PolarHBondContact O-N 3.4Å
234A52.4Low51.7Low104 Ų104126.1 Ų126.186%0.8668%0.68SS**  trans-47.7112.7179.900000110.8L232L232-A234 PolarHBondContact O-N 2.88Å
235A45.6Very low50Low79 Ų79128.1 Ų128.165%0.65368%0.681SS**  trans-65.9145.217700000109.6S233 S237S233-A235 PolarHBondContact O-N 3.4Å; A235-S237 PolarHBondContact O-N 3.33Å
236P36.6Very low47.7Very low123 Ų123126.4 Ų126.480%0.79969%0.689SS**  trans-59.1127.9173.220.6-25.6000109.1V238P236-V238 PolarHBondContact O-N 3.48Å; P236-V238 VanDerWaalsContact O-N 3.17Å
237S42.2Very low45.6Very low83 Ų83129.3 Ų129.358%0.5873%0.73SS**  trans-57.3111.1-164.530.40000113.4A235 K239A235-S237 PolarHBondContact O-N 3.33Å; S237-K239 PolarHBondContact O-N 3.38Å
238V34.1Very low44.2Very low130 Ų130131.8 Ų131.879%0.78875%0.745SS**  trans-81.4106159.9-179.50000107.3P236 K240P236-V238 PolarHBondContact O-N 3.48Å; P236-V238 VanDerWaalsContact O-N 3.17Å; V238-K240 VanDerWaalsContact C-N 3.33Å; V238-K240 PolarHBondContact O-N 3.11Å
239K32.4Very low42.8Very low195 Ų195134.2 Ų134.285%0.84875%0.753SS**  trans-57.392.2172.2-76-176.2177.2-179.20110.3S237S237-K239 PolarHBondContact O-N 3.38Å
240K30.1Very low41.3Very low156 Ų156133.7 Ų133.768%0.67876%0.76SS**  trans-114.483.7152.8-88.2-174.7176.6177.70107.5V238 Y242V238-K240 VanDerWaalsContact C-N 3.33Å; V238-K240 PolarHBondContact O-N 3.11Å; K240-Y242 VanDerWaalsContact C-N 3.34Å; K240-Y242 HydrophobicContact CB-CE2 4.34Å; K240-Y242 PolarHBondContact O-N 3.25Å
241V31.3Very low39.8Very low130 Ų130133.5 Ų133.579%0.78877%0.769SS**  trans-66.4100.2163.4179.20000106S243V241-S243 PolarHBondContact O-N 3.27Å
242Y33Very low38.2Very low169 Ų169130.6 Ų130.666%0.66377%0.765SS**  trans-71.4112.2158.7-79.2-86000106.1K240 F244K240-Y242 VanDerWaalsContact C-N 3.34Å; K240-Y242 HydrophobicContact CB-CE2 4.34Å; K240-Y242 PolarHBondContact O-N 3.25Å; Y242-F244 PolarHBondContact O-N 3.16Å
243S29.7Very low36.5Very low89 Ų89129.8 Ų129.862%0.62277%0.766SS**  trans-64.682.2168.159.30000108.8V241 F245V241-S243 PolarHBondContact O-N 3.27Å; S243-F245 PolarHBondContact O-N 2.93Å; S243-F245 VanDerWaalsContact O-N 3.12Å
244F33.7Very low35Very low144 Ų144131.4 Ų131.463%0.63277%0.767SS**  trans-72.692.3154-71.8-87.1000104.9Y242Y242-F244 PolarHBondContact O-N 3.16Å
245F32.5Very low33.6Very low133 Ų133133.5 Ų133.558%0.58376%0.76SS**  trans159.271.6159.5-68.2-36.6000108.7M129 S243M129-F245 HydrophobicContact CE-CD1 3.2Å; M129-F245 HydrophobicContact CE-CD2 4.35Å; M129-F245 HydrophobicContact CE-CE1 2.86Å; M129-F245 HydrophobicContact CE-CE2 4.04Å; M129-F245 HydrophobicContact CE-CG 4.03Å; M129-F245 HydrophobicContact CE-CZ 3.36Å; M129-F245 HydrophobicContact CG-CE1 4.27Å; M129-F245 HydrophobicContact CG-CE2 3.92Å; M129-F245 HydrophobicContact CG-CZ 3.72Å; M129-F245 HydrophobicContact SD-CD1 4.1Å; M129-F245 HydrophobicContact SD-CE1 3.16Å; M129-F245 WeakPolarHBondContact SD-CE1 3.43Å; M129-F245 HydrophobicContact SD-CE2 3.82Å; M129-F245 HydrophobicContact SD-CZ 3Å; M129-F245 WeakPolarHBondContact SD-CZ 3.23Å; S243-F245 PolarHBondContact O-N 2.93Å; S243-F245 VanDerWaalsContact O-N 3.12Å
246T24.6Very low32.6Very low125 Ų125138 Ų13877%0.76777%0.769SS**  trans-143.491.4157.346.30000108.3
247A31.6Very low32.3Very low179 Ų179139.4 Ų139.4100%1.47977%0.766SS**  trans-172.50144.400000107.8

Retrieved 247 of 247 residues in 45.1 ms (Link to these results)

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