G4M0V2_SCHMA Loading...

Transgelin

AlphaFold DB , UniProt , Accession G4M0V2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 190 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
1M46.6Very low69.1Low245 Ų245117 Ų117100%1.20770%0.704SS**  0109.80-75.2163.9172.700106.6N3M1-N3 PolarHBondContact O-N 3.17Å
2A52.4Low70.6Confident94 Ų94110.1 Ų110.178%0.77767%0.668SS**  trans-70.7126.5-176.800000109Q4A2-Q4 PolarHBondContact O-N 3.38Å
3N55.5Low72.1Confident161 Ų161111.6 Ų111.686%0.86166%0.664SS**  trans-64.577.5167.4-170.615.7000107.8M1 P5M1-N3 PolarHBondContact O-N 3.17Å; N3-P5 WeakPolarHBondContact O-CD 3.33Å
4Q59Low73.3Confident116 Ų116108.9 Ų108.954%0.54265%0.648SS.*PPolyproline II helixtrans-77.8116.5-176.6-147.316435.400106.6A2 L6 K114A2-Q4 PolarHBondContact O-N 3.38Å; Q4-L6 PolarHBondContact O-N 2.9Å; Q4-K114 VanDerWaalsContact CD-NZ 3.3Å
5P62.2Low74.4Confident107 Ų107109 Ų10970%0.69564%0.637SS**PPolyproline II helixtrans-58.2143.6-176.523.3-32000109.4N3 A7N3-P5 WeakPolarHBondContact O-CD 3.33Å; P5-A7 PolarHBondContact O-N 3.48Å
6L66.2Low75.4Confident167 Ų167114.7 Ų114.787%0.87464%0.644SS**PPolyproline II helixtrans-47.5121.4168.7-81.6158.4000107.6Q4 S8Q4-L6 PolarHBondContact O-N 2.9Å; L6-S8 PolarHBondContact O-N 3.16Å
7A70.3Confident76.4Confident45 Ų45117.4 Ų117.437%0.37265%0.647SS.*PPolyproline II helixtrans-55.3120.1-179.800000107.9P5 A12P5-A7 PolarHBondContact O-N 3.48Å; A7-A12 HydrophobicContact CB-CB 4.38Å; A7-A12 WeakPolarHBondContact O-CB 3.48Å
8S83.7Confident77.3Confident93 Ų93112.9 Ų112.965%0.6562%0.622SS**  trans-120.6160.5179.363.90000109.7L6 L10 S11 A12L6-S8 PolarHBondContact O-N 3.16Å; S8-L10 PolarHBondContact O-N 2.93Å; S8-S11 PolarHBondContact O-N 2.97Å; S8-A12 PolarHBondContact O-N 3.26Å
9G90.2Very high78Confident52 Ų52112.7 Ų112.754%0.53662%0.616SS.*Hα-helixtrans54.6-128.2179.500000113.2S11 A12 Q13G9-S11 VanDerWaalsContact C-N 3.34Å; G9-S11 PolarHBondContact O-N 2.88Å; G9-A12 WeakPolarHBondContact O-CB 3.43Å; G9-A12 PolarHBondContact O-N 3.35Å; G9-Q13 WeakPolarHBondContact O-CG 3.28Å; G9-Q13 PolarHBondContact O-N 2.95Å
10L88.4Confident78.8Confident126 Ų126110.4 Ų110.466%0.6662%0.62SS**Hα-helixtrans-60.7-40.1-178.3-176.760.3000112.7S8 A12 Q13 V14S8-L10 PolarHBondContact O-N 2.93Å; L10-A12 VanDerWaalsContact C-N 3.28Å; L10-A12 PolarHBondContact O-N 3.11Å; L10-Q13 PolarHBondContact O-N 3.48Å; L10-Q13 VanDerWaalsContact O-N 3.15Å; L10-V14 HydrophobicContact CD1-CG2 4.36Å; L10-V14 HydrophobicContact CG-CG2 4.46Å; L10-V14 WeakPolarHBondContact O-CG2 2.87Å; L10-V14 PolarHBondContact O-N 3.18Å
11S85.4Confident79.6Confident81 Ų81110.9 Ų110.957%0.56662%0.616SS**Hα-helixtrans-62-37.8178.7-58.20000111.9S8 G9 K15S8-S11 PolarHBondContact O-N 2.97Å; G9-S11 VanDerWaalsContact C-N 3.34Å; G9-S11 PolarHBondContact O-N 2.88Å; S11-K15 WeakPolarHBondContact O-CB 3.4Å; S11-K15 PolarHBondContact O-N 3.07Å
12A87.6Confident82Confident34 Ų34103.5 Ų103.528%0.28157%0.574SS.*Hα-helixtrans-64.8-43.4175.100000111.6A7 S8 G9 L10 K15 R16A7-A12 HydrophobicContact CB-CB 4.38Å; A7-A12 WeakPolarHBondContact O-CB 3.48Å; S8-A12 PolarHBondContact O-N 3.26Å; G9-A12 WeakPolarHBondContact O-CB 3.43Å; G9-A12 PolarHBondContact O-N 3.35Å; L10-A12 VanDerWaalsContact C-N 3.28Å; L10-A12 PolarHBondContact O-N 3.11Å; A12-K15 PolarHBondContact O-N 3.42Å; A12-R16 WeakPolarHBondContact O-CB 3.39Å; A12-R16 PolarHBondContact O-N 3.35Å
13Q89.9Confident84.1Confident130 Ų130101.9 Ų101.961%0.60755%0.552SS**Hα-helixtrans-64.9-43.5179.8-67175.715.200111.7G9 L10 R16 K17G9-Q13 WeakPolarHBondContact O-CG 3.28Å; G9-Q13 PolarHBondContact O-N 2.95Å; L10-Q13 PolarHBondContact O-N 3.48Å; L10-Q13 VanDerWaalsContact O-N 3.15Å; Q13-R16 PolarHBondContact O-N 2.95Å; Q13-K17 WeakPolarHBondContact O-CB 3.21Å; Q13-K17 PolarHBondContact O-N 3.18Å
14V89.7Confident86Confident74 Ų74103.9 Ų103.945%0.44855%0.548SS..Hα-helixtrans-61.7-49175.6175.10000110.1L10 R16 K17 L18L10-V14 HydrophobicContact CD1-CG2 4.36Å; L10-V14 HydrophobicContact CG-CG2 4.46Å; L10-V14 WeakPolarHBondContact O-CG2 2.87Å; L10-V14 PolarHBondContact O-N 3.18Å; V14-R16 PolarHBondContact O-N 3.41Å; V14-K17 WeakPolarHBondContact O-CB 3.21Å; V14-K17 PolarHBondContact O-N 3.35Å; V14-K17 VanDerWaalsContact O-N 3.12Å; V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CG 3.41Å; V14-L18 PolarHBondContact O-N 3.17Å
15K88.6Confident87.8Confident110 Ų110104.3 Ų104.348%0.47855%0.554SS.*Hα-helixtrans-56.3-49177.6-176.9178173-176.70111.7S11 A12 K17 L18 E19S11-K15 WeakPolarHBondContact O-CB 3.4Å; S11-K15 PolarHBondContact O-N 3.07Å; A12-K15 PolarHBondContact O-N 3.42Å; K15-K17 VanDerWaalsContact C-N 3.28Å; K15-K17 PolarHBondContact O-N 3.4Å; K15-L18 PolarHBondContact O-N 3.29Å; K15-L18 VanDerWaalsContact O-N 3.17Å; K15-E19 WeakPolarHBondContact CE-OE1 3.33Å; K15-E19 HydrophobicContact CG-CG 4.41Å; K15-E19 IonicContact NZ-OE1 2.64Å; K15-E19 WeakPolarHBondContact O-CG 3.33Å; K15-E19 PolarHBondContact O-N 3.15Å
16R90.8Very high89.5Confident200 Ų200101.9 Ų101.976%0.75553%0.533SS*.Hα-helixtrans-59.5-39.6177.5-172.9-179.4-171.2-89.80.3112A12 Q13 V14 G20A12-R16 WeakPolarHBondContact O-CB 3.39Å; A12-R16 PolarHBondContact O-N 3.35Å; Q13-R16 PolarHBondContact O-N 2.95Å; V14-R16 PolarHBondContact O-N 3.41Å; R16-G20 PolarHBondContact O-N 3.41Å
17K93.4Very high91Very high160 Ų16094.4 Ų94.470%0.69649%0.494SS*.Hα-helixtrans-66.4-39.5177.8-170.9176.4-176.7178.30111.8Q13 V14 K15Q13-K17 WeakPolarHBondContact O-CB 3.21Å; Q13-K17 PolarHBondContact O-N 3.18Å; V14-K17 WeakPolarHBondContact O-CB 3.21Å; V14-K17 PolarHBondContact O-N 3.35Å; V14-K17 VanDerWaalsContact O-N 3.12Å; K15-K17 VanDerWaalsContact C-N 3.28Å; K15-K17 PolarHBondContact O-N 3.4Å
18L91.7Very high92.3Very high38 Ų3896.1 Ų96.120%0.19949%0.494CS..Hα-helixtrans-69.1-45.9176-66.1179.9000111.7V14 K15 G20 K21 D115V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CG 3.41Å; V14-L18 PolarHBondContact O-N 3.17Å; K15-L18 PolarHBondContact O-N 3.29Å; K15-L18 VanDerWaalsContact O-N 3.17Å; L18-G20 PolarHBondContact O-N 3.17Å; L18-K21 HydrophobicContact CD2-CD 4.26Å; L18-K21 WeakPolarHBondContact O-CB 3.46Å; L18-K21 PolarHBondContact O-N 3.47Å; L18-D115 HydrophobicContact CD1-CB 4.37Å; L18-D115 WeakPolarHBondContact CD2-OD2 3.49Å
19E90.2Very high93Very high108 Ų10894 Ų9451%0.50548%0.479SS..Hα-helixtrans-59.3-36.2175.9-73.4177.4158.800111.9K15 K21 R22K15-E19 WeakPolarHBondContact CE-OE1 3.33Å; K15-E19 HydrophobicContact CG-CG 4.41Å; K15-E19 IonicContact NZ-OE1 2.64Å; K15-E19 WeakPolarHBondContact O-CG 3.33Å; K15-E19 PolarHBondContact O-N 3.15Å; E19-K21 PolarHBondContact O-N 3.25Å; E19-R22 WeakPolarHBondContact O-CB 3.19Å; E19-R22 PolarHBondContact O-N 3.49Å; E19-R22 VanDerWaalsContact O-N 3.14Å
20G93.9Very high93.4Very high67 Ų6791.5 Ų91.569%0.69145%0.454SS*.THydrogen-bonded Turntrans-67.6-11.8174.700000115.3R16 L18 R22R16-G20 PolarHBondContact O-N 3.41Å; L18-G20 PolarHBondContact O-N 3.17Å; G20-R22 VanDerWaalsContact C-N 3.35Å
21K96Very high93.8Very high121 Ų12185.6 Ų85.653%0.52642%0.423SS..THydrogen-bonded Turntrans-84.2-11172.5-62.4175.6-178.1176.80112.9L18 E19 A117L18-K21 HydrophobicContact CD2-CD 4.26Å; L18-K21 WeakPolarHBondContact O-CB 3.46Å; L18-K21 PolarHBondContact O-N 3.47Å; E19-K21 PolarHBondContact O-N 3.25Å; K21-A117 HydrophobicContact CB-CB 3.79Å
22R96.8Very high94.4Very high89 Ų8985.8 Ų85.834%0.33642%0.418SS..  trans-68.5135.7-179.5-68.8-174.866.5176.32.4110E19 G20 E27 E49 A117E19-R22 WeakPolarHBondContact O-CB 3.19Å; E19-R22 PolarHBondContact O-N 3.49Å; E19-R22 VanDerWaalsContact O-N 3.14Å; G20-R22 VanDerWaalsContact C-N 3.35Å; R22-E27 IonicContact CZ-OE1 3.97Å; R22-E27 VanDerWaalsContact CZ-OE1 3.26Å; R22-E27 IonicContact CZ-OE2 2.76Å; R22-E27 IonicContact NE-OE1 3.21Å; R22-E27 PolarHBondContact NE-OE1 3.09Å; R22-E27 IonicContact NE-OE2 3.74Å; R22-E27 VanDerWaalsContact NH2-CD 3.28Å; R22-E27 IonicContact NH2-OE1 3.96Å; R22-E27 PolarHBondContact NH2-OE1 3.22Å; R22-E27 IonicContact NH2-OE2 3.87Å; R22-E27 PolarHBondContact NH2-OE2 3.19Å; R22-E49 IonicContact CZ-OE2 2.74Å; R22-E49 IonicContact NH1-OE1 2.86Å; R22-E49 IonicContact NH1-OE2 2.85Å; R22-E49 PolarHBondContact NH1-OE2 2.92Å; R22-E49 IonicContact NH2-OE2 3.8Å; R22-E49 PolarHBondContact NH2-OE2 2.71Å; R22-A117 HydrophobicContact CG-CB 4.33Å
23D96.8Very high94.9Very high60 Ų6084.5 Ų84.532%0.32141%0.406SS..  trans-125.2114.8176.8-178.5-21.2000107.9D25 Q26 E27D23-D25 VanDerWaalsContact C-N 3.29Å; D23-D25 PolarHBondContact O-N 3.48Å; D23-D25 PolarHBondContact OD1-N 3.06Å; D23-Q26 HydrophobicContact CB-CB 3.98Å; D23-Q26 HydrophobicContact CB-CG 3.96Å; D23-Q26 PolarHBondContact O-N 3.28Å; D23-Q26 PolarHBondContact OD1-N 3.44Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.48Å; D23-Q26 PolarHBondContact OD2-NE2 3.04Å; D23-E27 WeakPolarHBondContact O-CG 3.13Å; D23-E27 PolarHBondContact O-N 3.12Å
24R95.8Very high95.4Very high203 Ų20378.3 Ų78.377%0.76638%0.377SS*.Hα-helixtrans-67.7-32.3-176.1-66.5-172.2-171.1-177.13.4112Q26 E27 Q28R24-Q26 VanDerWaalsContact C-N 3.34Å; R24-E27 PolarHBondContact O-N 3.23Å; R24-Q28 WeakPolarHBondContact O-CG 3.25Å; R24-Q28 PolarHBondContact O-N 2.97Å
25D96.8Very high95.8Very high125 Ų12575.3 Ų75.367%0.66836%0.358SS*.Hα-helixtrans-71.7-36.9-179.2-62.9-38.2000110D23 Q28 S29D23-D25 VanDerWaalsContact C-N 3.29Å; D23-D25 PolarHBondContact O-N 3.48Å; D23-D25 PolarHBondContact OD1-N 3.06Å; D25-Q28 PolarHBondContact O-N 3.13Å; D25-S29 WeakPolarHBondContact O-CB 3.32Å; D25-S29 PolarHBondContact O-N 3.27Å; D25-S29 PolarHBondContact O-OG 3.42Å
26Q97.3Very high96.2Very high57 Ų5772.8 Ų72.827%0.26636%0.357SS..Hα-helixtrans-64.2-44.1170.2-72-174.31300112.1D23 R24 Q28 S29 V30 T120 Y124D23-Q26 HydrophobicContact CB-CB 3.98Å; D23-Q26 HydrophobicContact CB-CG 3.96Å; D23-Q26 PolarHBondContact O-N 3.28Å; D23-Q26 PolarHBondContact OD1-N 3.44Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.48Å; D23-Q26 PolarHBondContact OD2-NE2 3.04Å; R24-Q26 VanDerWaalsContact C-N 3.34Å; Q26-Q28 VanDerWaalsContact C-N 3.35Å; Q26-Q28 PolarHBondContact O-N 2.89Å; Q26-S29 PolarHBondContact O-N 2.94Å; Q26-V30 WeakPolarHBondContact O-CG2 3.42Å; Q26-V30 PolarHBondContact O-N 3.18Å; Q26-T120 HydrophobicContact CB-CG2 3.95Å; Q26-Y124 WeakPolarHBondContact CA-OH 3.35Å; Q26-Y124 HydrophobicContact CB-CE2 3.79Å; Q26-Y124 HydrophobicContact CG-CE2 4.09Å
27E98.1Very high96.6Very high9 Ų963.8 Ų63.84%0.04232%0.324CS..Hα-helixtrans-60.5-42.1175.9-72.6175.3-170.700111.9R22 D23 R24 V30 L31 Y48 T120R22-E27 IonicContact CZ-OE1 3.97Å; R22-E27 VanDerWaalsContact CZ-OE1 3.26Å; R22-E27 IonicContact CZ-OE2 2.76Å; R22-E27 IonicContact NE-OE1 3.21Å; R22-E27 PolarHBondContact NE-OE1 3.09Å; R22-E27 IonicContact NE-OE2 3.74Å; R22-E27 VanDerWaalsContact NH2-CD 3.28Å; R22-E27 IonicContact NH2-OE1 3.96Å; R22-E27 PolarHBondContact NH2-OE1 3.22Å; R22-E27 IonicContact NH2-OE2 3.87Å; R22-E27 PolarHBondContact NH2-OE2 3.19Å; D23-E27 WeakPolarHBondContact O-CG 3.13Å; D23-E27 PolarHBondContact O-N 3.12Å; R24-E27 PolarHBondContact O-N 3.23Å; E27-V30 PolarHBondContact O-N 3.11Å; E27-L31 WeakPolarHBondContact O-CG 3.42Å; E27-L31 PolarHBondContact O-N 3.01Å; E27-L31 VanDerWaalsContact O-N 3.15Å; E27-Y48 HydrophobicContact CB-CD1 4.2Å; E27-Y48 HydrophobicContact CB-CD2 3.71Å; E27-Y48 HydrophobicContact CB-CE1 4.49Å; E27-Y48 HydrophobicContact CB-CE2 4.05Å; E27-Y48 HydrophobicContact CB-CG 3.78Å; E27-Y48 HydrophobicContact CG-CD1 3.7Å; E27-Y48 HydrophobicContact CG-CD2 4.11Å; E27-Y48 HydrophobicContact CG-CE1 3.85Å; E27-Y48 HydrophobicContact CG-CE2 4.26Å; E27-Y48 HydrophobicContact CG-CG 3.82Å; E27-T120 HydrophobicContact CG-CG2 4.41Å
28Q97.4Very high96.7Very high81 Ų8157.7 Ų57.738%0.37930%0.299SS..Hα-helixtrans-65.9-42.7174.7-68.2-47.4-57.100112.2R24 D25 Q26 V30 L31 D32R24-Q28 WeakPolarHBondContact O-CG 3.25Å; R24-Q28 PolarHBondContact O-N 2.97Å; D25-Q28 PolarHBondContact O-N 3.13Å; Q26-Q28 VanDerWaalsContact C-N 3.35Å; Q26-Q28 PolarHBondContact O-N 2.89Å; Q28-V30 VanDerWaalsContact C-N 3.26Å; Q28-V30 PolarHBondContact O-N 2.67Å; Q28-L31 PolarHBondContact O-N 3.43Å; Q28-L31 VanDerWaalsContact O-N 3.08Å; Q28-D32 VanDerWaalsContact O-CG 3.23Å; Q28-D32 PolarHBondContact O-N 2.96Å
29S97.6Very high96.9Very high49 Ų4959.1 Ų59.134%0.34332%0.323SS..Hα-helixtrans-59.4-38.1176.6-61.20000112D25 Q26 W33 Y124D25-S29 WeakPolarHBondContact O-CB 3.32Å; D25-S29 PolarHBondContact O-N 3.27Å; D25-S29 PolarHBondContact O-OG 3.42Å; Q26-S29 PolarHBondContact O-N 2.94Å; S29-W33 WeakPolarHBondContact O-CB 3.41Å; S29-W33 PolarHBondContact O-N 3.15Å; S29-Y124 WeakPolarHBondContact CB-OH 3.31Å
30V98.6Very high97.2Very high0 Ų057.6 Ų57.60%032%0.321CS..Hα-helixtrans-62.8-46.9173.51670000111Q26 E27 Q28 W33 I34 Y48 T120 L123 Y124 L141Q26-V30 WeakPolarHBondContact O-CG2 3.42Å; Q26-V30 PolarHBondContact O-N 3.18Å; E27-V30 PolarHBondContact O-N 3.11Å; Q28-V30 VanDerWaalsContact C-N 3.26Å; Q28-V30 PolarHBondContact O-N 2.67Å; V30-W33 PolarHBondContact O-N 3.28Å; V30-I34 HydrophobicContact CG1-CD1 3.91Å; V30-I34 HydrophobicContact CG1-CG1 4.44Å; V30-I34 WeakPolarHBondContact O-CG1 3.31Å; V30-I34 PolarHBondContact O-N 3.01Å; V30-Y48 HydrophobicContact CB-CE2 4.07Å; V30-Y48 HydrophobicContact CG1-CE2 3.84Å; V30-T120 HydrophobicContact CG2-CG2 4.01Å; V30-L123 HydrophobicContact CG1-CB 4Å; V30-L123 HydrophobicContact CG1-CD1 3.44Å; V30-L123 VanDerWaalsContact CG1-CD1 3.44Å; V30-L123 HydrophobicContact CG1-CG 4.3Å; V30-L123 HydrophobicContact CG2-CB 4.16Å; V30-Y124 HydrophobicContact CG2-CD2 3.93Å; V30-Y124 HydrophobicContact CG2-CE2 3.69Å; V30-L141 HydrophobicContact CG2-CD1 4.45Å; V30-L141 HydrophobicContact CG2-CD2 3.86Å
31L98.5Very high97.2Very high1 Ų162.7 Ų62.71%0.00532%0.324CS..Hα-helixtrans-64.8-40.7179-65.9-179.7000111.7E27 Q28 W33 I34 E35 V42 R44 Y48 I51 L52E27-L31 WeakPolarHBondContact O-CG 3.42Å; E27-L31 PolarHBondContact O-N 3.01Å; E27-L31 VanDerWaalsContact O-N 3.15Å; Q28-L31 PolarHBondContact O-N 3.43Å; Q28-L31 VanDerWaalsContact O-N 3.08Å; L31-W33 VanDerWaalsContact C-N 3.29Å; L31-W33 PolarHBondContact O-N 3.41Å; L31-I34 PolarHBondContact O-N 3.46Å; L31-E35 WeakPolarHBondContact O-CG 3.47Å; L31-E35 PolarHBondContact O-N 3.06Å; L31-V42 HydrophobicContact CB-CG2 4.43Å; L31-V42 HydrophobicContact CD2-CG2 4.39Å; L31-R44 VanDerWaalsContact CB-CZ 3.46Å; L31-R44 VanDerWaalsContact CB-NH1 3.26Å; L31-Y48 HydrophobicContact CD1-CD2 4.04Å; L31-Y48 HydrophobicContact CD2-CD2 3.85Å; L31-Y48 HydrophobicContact CD2-CE2 4.08Å; L31-Y48 HydrophobicContact CG-CD2 3.76Å; L31-Y48 HydrophobicContact CG-CE2 4.15Å; L31-I51 HydrophobicContact CD1-CD1 3.81Å; L31-I51 HydrophobicContact CD2-CD1 4.41Å; L31-I51 HydrophobicContact CD2-CG2 4.1Å; L31-L52 HydrophobicContact CD2-CD2 4.36Å
32D98Very high97.2Very high86 Ų8657.7 Ų57.746%0.4630%0.304SS..Hα-helixtrans-58.7-43.9174.6-65.4-16.7000111Q28 E35 A36 R44Q28-D32 VanDerWaalsContact O-CG 3.23Å; Q28-D32 PolarHBondContact O-N 2.96Å; D32-E35 PolarHBondContact O-N 3.16Å; D32-A36 WeakPolarHBondContact O-CB 3.4Å; D32-A36 PolarHBondContact O-N 3.18Å; D32-R44 IonicContact OD1-CZ 3.82Å; D32-R44 VanDerWaalsContact OD1-CZ 3.24Å; D32-R44 IonicContact OD1-NH1 2.83Å; D32-R44 PolarHBondContact OD1-NH1 3.37Å; D32-R44 IonicContact OD1-NH2 2.71Å; D32-R44 PolarHBondContact OD1-NH2 2.99Å
33W98.1Very high97.1Very high7 Ų757.1 Ų57.13%0.02731%0.308CS..Hα-helixtrans-64-44175.8179.174000112.4S29 V30 L31 E35 A36 V37 V61 L65 L126 P139 L141S29-W33 WeakPolarHBondContact O-CB 3.41Å; S29-W33 PolarHBondContact O-N 3.15Å; V30-W33 PolarHBondContact O-N 3.28Å; L31-W33 VanDerWaalsContact C-N 3.29Å; L31-W33 PolarHBondContact O-N 3.41Å; W33-E35 PolarHBondContact O-N 2.92Å; W33-A36 PolarHBondContact O-N 2.99Å; W33-V37 HydrophobicContact CD2-CG2 4.11Å; W33-V37 HydrophobicContact CG-CG2 4.44Å; W33-V37 HydrophobicContact CZ2-CG2 3.92Å; W33-V37 VanDerWaalsContact O-CG2 3.3Å; W33-V37 WeakPolarHBondContact O-CG2 3.37Å; W33-V37 PolarHBondContact O-N 3.19Å; W33-V61 HydrophobicContact CH2-CG1 3.97Å; W33-V61 HydrophobicContact CZ3-CG1 3.98Å; W33-L65 HydrophobicContact CH2-CD1 4.08Å; W33-L65 HydrophobicContact CZ2-CD1 4.37Å; W33-L126 HydrophobicContact CH2-CD2 3.91Å; W33-L126 HydrophobicContact CH2-CG 4Å; W33-L126 HydrophobicContact CZ3-CD2 4.31Å; W33-P139 PolarHBondContact NE1-O 2.66Å; W33-L141 HydrophobicContact CB-CB 4.06Å; W33-L141 HydrophobicContact CB-CD1 4.18Å; W33-L141 HydrophobicContact CB-CD2 4.4Å; W33-L141 HydrophobicContact CB-CG 4.44Å; W33-L141 HydrophobicContact CD2-CB 3.84Å; W33-L141 HydrophobicContact CD2-CD2 4.06Å; W33-L141 HydrophobicContact CE3-CD2 3.93Å; W33-L141 HydrophobicContact CG-CB 3.58Å; W33-L141 HydrophobicContact CG-CD2 4.27Å; W33-L141 HydrophobicContact CG-CG 4.35Å
34I98.5Very high96.9Very high0 Ų058.1 Ų58.10%031%0.307CS..Hα-helixtrans-60.3-46.2176-71.5174.2000110.9V30 L31 A36 V37 L38 L52 V61 L123V30-I34 HydrophobicContact CG1-CD1 3.91Å; V30-I34 HydrophobicContact CG1-CG1 4.44Å; V30-I34 WeakPolarHBondContact O-CG1 3.31Å; V30-I34 PolarHBondContact O-N 3.01Å; L31-I34 PolarHBondContact O-N 3.46Å; I34-A36 VanDerWaalsContact C-N 3.31Å; I34-A36 PolarHBondContact O-N 3.28Å; I34-V37 PolarHBondContact O-N 3.24Å; I34-L38 HydrophobicContact CG2-CD1 3.91Å; I34-L38 HydrophobicContact CG2-CG 4.45Å; I34-L38 WeakPolarHBondContact O-CB 3.22Å; I34-L38 WeakPolarHBondContact O-CG 3.46Å; I34-L38 PolarHBondContact O-N 3.43Å; I34-L52 HydrophobicContact CD1-CD2 3.71Å; I34-V61 HydrophobicContact CB-CG2 4.3Å; I34-V61 HydrophobicContact CG1-CG2 4.01Å; I34-V61 HydrophobicContact CG2-CG2 3.8Å; I34-L123 HydrophobicContact CD1-CD1 4.5Å
35E98.3Very high96.9Very high11 Ų1153.2 Ų53.25%0.05130%0.304CS..Hα-helixtrans-61.1-40.9177.2-70.9-174.5160.600111.6L31 D32 W33 G39 T40 K41 V42 R44L31-E35 WeakPolarHBondContact O-CG 3.47Å; L31-E35 PolarHBondContact O-N 3.06Å; D32-E35 PolarHBondContact O-N 3.16Å; W33-E35 PolarHBondContact O-N 2.92Å; E35-G39 VanDerWaalsContact O-CA 3.29Å; E35-G39 WeakPolarHBondContact O-CA 3.32Å; E35-G39 PolarHBondContact O-N 3.43Å; E35-T40 WeakPolarHBondContact CA-O 3.14Å; E35-T40 WeakPolarHBondContact CB-O 3.38Å; E35-T40 WeakPolarHBondContact CG-O 3.38Å; E35-T40 PolarHBondContact O-N 3.36Å; E35-K41 HydrophobicContact CG-CD 4.34Å; E35-K41 WeakPolarHBondContact OE1-CD 3.37Å; E35-K41 VanDerWaalsContact OE2-CD 3.23Å; E35-K41 WeakPolarHBondContact OE2-CD 3.46Å; E35-K41 IonicContact OE2-NZ 3.98Å; E35-K41 PolarHBondContact OE2-NZ 3.45Å; E35-V42 HydrophobicContact CG-CB 4.49Å; E35-V42 HydrophobicContact CG-CG1 4.15Å; E35-V42 HydrophobicContact CG-CG2 4.03Å; E35-V42 WeakPolarHBondContact OE1-CG2 3.25Å; E35-V42 PolarHBondContact OE1-N 2.86Å; E35-R44 IonicContact OE1-CZ 3.59Å; E35-R44 IonicContact OE1-NE 3.66Å; E35-R44 PolarHBondContact OE1-NE 3.37Å; E35-R44 IonicContact OE1-NH2 2.91Å; E35-R44 PolarHBondContact OE1-NH2 3.16Å; E35-R44 IonicContact OE2-CZ 3.42Å; E35-R44 IonicContact OE2-NH2 3.26Å; E35-R44 PolarHBondContact OE2-NH2 2.76Å
36A98Very high96.9Very high56 Ų5652.6 Ų52.646%0.46330%0.295SS..Hα-helixtrans-68.7-39.7178.600000112.3D32 W33 I34 P139D32-A36 WeakPolarHBondContact O-CB 3.4Å; D32-A36 PolarHBondContact O-N 3.18Å; W33-A36 PolarHBondContact O-N 2.99Å; I34-A36 VanDerWaalsContact C-N 3.31Å; I34-A36 PolarHBondContact O-N 3.28Å; A36-P139 HydrophobicContact CB-CB 3.75Å; A36-P139 HydrophobicContact CB-CG 3.47Å; A36-P139 VanDerWaalsContact CB-CG 3.47Å
37V97.8Very high96.8Very high11 Ų1153.1 Ų53.17%0.06730%0.304CS..Hα-helixtrans-66.1-45.9176.8169.60000110.7W33 I34 V61 K64 L65 P139W33-V37 HydrophobicContact CD2-CG2 4.11Å; W33-V37 HydrophobicContact CG-CG2 4.44Å; W33-V37 HydrophobicContact CZ2-CG2 3.92Å; W33-V37 VanDerWaalsContact O-CG2 3.3Å; W33-V37 WeakPolarHBondContact O-CG2 3.37Å; W33-V37 PolarHBondContact O-N 3.19Å; I34-V37 PolarHBondContact O-N 3.24Å; V37-V61 HydrophobicContact CG1-CG1 4.36Å; V37-K64 HydrophobicContact CG1-CB 4.09Å; V37-K64 HydrophobicContact CG1-CG 3.79Å; V37-K64 WeakPolarHBondContact O-CE 3.3Å; V37-K64 WeakPolarHBondContact O-CG 3.17Å; V37-L65 HydrophobicContact CG1-CD2 4.08Å; V37-L65 HydrophobicContact CG1-CG 4.34Å; V37-P139 HydrophobicContact CG2-CG 4.4Å
38L97.3Very high96.8Very high32 Ų3253.1 Ų53.117%0.16830%0.303CS..Hα-helixtrans-80.7-24.9-176.9-65.2-177.7000113.6I34 T40 L57 K60 V61 K64I34-L38 HydrophobicContact CG2-CD1 3.91Å; I34-L38 HydrophobicContact CG2-CG 4.45Å; I34-L38 WeakPolarHBondContact O-CB 3.22Å; I34-L38 WeakPolarHBondContact O-CG 3.46Å; I34-L38 PolarHBondContact O-N 3.43Å; L38-T40 VanDerWaalsContact C-N 3.25Å; L38-T40 WeakPolarHBondContact CB-OG1 3.36Å; L38-L57 HydrophobicContact CD1-CD2 3.79Å; L38-K60 HydrophobicContact CD1-CB 4.3Å; L38-K60 HydrophobicContact CD2-CB 3.93Å; L38-V61 HydrophobicContact CD1-CG2 4.03Å; L38-V61 HydrophobicContact CD2-CG2 4.15Å; L38-V61 HydrophobicContact CG-CG2 3.99Å; L38-K64 HydrophobicContact CD2-CB 4.13Å
39G95.8Very high96.7Very high68 Ų6850.3 Ų50.370%0.70129%0.29SS*.THydrogen-bonded Turntrans71.320.1-170.500000113.2E35E35-G39 VanDerWaalsContact O-CA 3.29Å; E35-G39 WeakPolarHBondContact O-CA 3.32Å; E35-G39 PolarHBondContact O-N 3.43Å
40T94.7Very high96.7Very high76 Ų7651.2 Ų51.247%0.46629%0.289SS..  trans-130.2139.6-176.958.50000110.4E35 L38E35-T40 WeakPolarHBondContact CA-O 3.14Å; E35-T40 WeakPolarHBondContact CB-O 3.38Å; E35-T40 WeakPolarHBondContact CG-O 3.38Å; E35-T40 PolarHBondContact O-N 3.36Å; L38-T40 VanDerWaalsContact C-N 3.25Å; L38-T40 WeakPolarHBondContact CB-OG1 3.36Å
41K95.2Very high96.6Very high174 Ų17451.8 Ų51.876%0.75729%0.292SS*.  trans-76.9140.4175.5-68.5-62.7-176.1177.20111.8E35E35-K41 HydrophobicContact CG-CD 4.34Å; E35-K41 WeakPolarHBondContact OE1-CD 3.37Å; E35-K41 VanDerWaalsContact OE2-CD 3.23Å; E35-K41 WeakPolarHBondContact OE2-CD 3.46Å; E35-K41 IonicContact OE2-NZ 3.98Å; E35-K41 PolarHBondContact OE2-NZ 3.45Å
42V95.2Very high96.6Very high16 Ų1651.8 Ų51.810%0.09729%0.292CS..  trans-95.2156.1172.6-600000110.1L31 E35 R44 I51 L57L31-V42 HydrophobicContact CB-CG2 4.43Å; L31-V42 HydrophobicContact CD2-CG2 4.39Å; E35-V42 HydrophobicContact CG-CB 4.49Å; E35-V42 HydrophobicContact CG-CG1 4.15Å; E35-V42 HydrophobicContact CG-CG2 4.03Å; E35-V42 WeakPolarHBondContact OE1-CG2 3.25Å; E35-V42 PolarHBondContact OE1-N 2.86Å; V42-R44 HydrophobicContact CG2-CG 4.45Å; V42-R44 PolarHBondContact O-N 2.82Å; V42-I51 HydrophobicContact CB-CG2 4.05Å; V42-I51 HydrophobicContact CG1-CG2 4.33Å; V42-I51 HydrophobicContact CG2-CD1 4.43Å; V42-I51 HydrophobicContact CG2-CG2 4.34Å; V42-L57 HydrophobicContact CG1-CD1 3.76Å; V42-L57 HydrophobicContact CG1-CD2 4.31Å
43D94.8Very high96.6Very high77 Ų7750.4 Ų50.441%0.41228%0.282SS..  trans-74.689.9176.817911.8000111S45 K46 I51D43-S45 VanDerWaalsContact CG-OG 3.27Å; D43-S45 PolarHBondContact O-N 2.77Å; D43-S45 VanDerWaalsContact O-N 3.14Å; D43-S45 VanDerWaalsContact OD1-CB 3.28Å; D43-S45 WeakPolarHBondContact OD1-CB 3.46Å; D43-S45 PolarHBondContact OD1-N 3.02Å; D43-S45 VanDerWaalsContact OD1-N 3.14Å; D43-S45 PolarHBondContact OD1-OG 3.36Å; D43-S45 PolarHBondContact OD2-OG 3.41Å; D43-K46 PolarHBondContact O-N 3Å; D43-K46 WeakPolarHBondContact OD2-CE 3.26Å; D43-K46 IonicContact OD2-NZ 3.15Å; D43-I51 VanDerWaalsContact O-CD1 3.31Å; D43-I51 WeakPolarHBondContact O-CD1 3.48Å
44R94Very high96.5Very high81 Ų8152.6 Ų52.631%0.30629%0.294SS..THydrogen-bonded Turntrans-66.9-5.6179.4-59.1-73.8-179.3141.44.5113.8L31 D32 E35 V42 K46L31-R44 VanDerWaalsContact CB-CZ 3.46Å; L31-R44 VanDerWaalsContact CB-NH1 3.26Å; D32-R44 IonicContact OD1-CZ 3.82Å; D32-R44 VanDerWaalsContact OD1-CZ 3.24Å; D32-R44 IonicContact OD1-NH1 2.83Å; D32-R44 PolarHBondContact OD1-NH1 3.37Å; D32-R44 IonicContact OD1-NH2 2.71Å; D32-R44 PolarHBondContact OD1-NH2 2.99Å; E35-R44 IonicContact OE1-CZ 3.59Å; E35-R44 IonicContact OE1-NE 3.66Å; E35-R44 PolarHBondContact OE1-NE 3.37Å; E35-R44 IonicContact OE1-NH2 2.91Å; E35-R44 PolarHBondContact OE1-NH2 3.16Å; E35-R44 IonicContact OE2-CZ 3.42Å; E35-R44 IonicContact OE2-NH2 3.26Å; E35-R44 PolarHBondContact OE2-NH2 2.76Å; V42-R44 HydrophobicContact CG2-CG 4.45Å; V42-R44 PolarHBondContact O-N 2.82Å; R44-K46 PolarHBondContact O-N 3.47Å
45S95.5Very high96.5Very high100 Ų10052.6 Ų52.670%0.69929%0.294SS*.THydrogen-bonded Turntrans-71.2-20.3173.375.10000112.5D43D43-S45 VanDerWaalsContact CG-OG 3.27Å; D43-S45 PolarHBondContact O-N 2.77Å; D43-S45 VanDerWaalsContact O-N 3.14Å; D43-S45 VanDerWaalsContact OD1-CB 3.28Å; D43-S45 WeakPolarHBondContact OD1-CB 3.46Å; D43-S45 PolarHBondContact OD1-N 3.02Å; D43-S45 VanDerWaalsContact OD1-N 3.14Å; D43-S45 PolarHBondContact OD1-OG 3.36Å; D43-S45 PolarHBondContact OD2-OG 3.41Å
46K95.3Very high96.5Very high112 Ų11252.4 Ų52.449%0.48729%0.293SS..SBendtrans-91.7149.8179.3-66.2175-176.1166.10111.4D43 R44 E50 I51D43-K46 PolarHBondContact O-N 3Å; D43-K46 WeakPolarHBondContact OD2-CE 3.26Å; D43-K46 IonicContact OD2-NZ 3.15Å; R44-K46 PolarHBondContact O-N 3.47Å; K46-E50 HydrophobicContact CB-CB 4.48Å; K46-I51 HydrophobicContact CB-CD1 4.47Å; K46-I51 HydrophobicContact CB-CG1 3.81Å; K46-I51 WeakPolarHBondContact O-CD1 3.44Å
47P95.9Very high96.5Very high69 Ų6951.2 Ų51.245%0.44828%0.279SS..  trans-57.4146.8170.2-23.533.8000111.8E49 E50 I51P47-E49 VanDerWaalsContact C-N 3.26Å; P47-E49 PolarHBondContact O-N 3.06Å; P47-E49 VanDerWaalsContact O-N 3.16Å; P47-E50 HydrophobicContact CB-CG 4.48Å; P47-E50 HydrophobicContact CG-CG 4.45Å; P47-E50 PolarHBondContact O-N 3.42Å; P47-I51 PolarHBondContact O-N 3.49Å; P47-I51 VanDerWaalsContact O-N 3.11Å
48Y97.8Very high96.5Very high8 Ų850.7 Ų50.73%0.03128%0.276CS..Hα-helixtrans-44.4-49.9179.1170.4-101.5000112.9E27 V30 L31 E50 I51 L52 I116 T120E27-Y48 HydrophobicContact CB-CD1 4.2Å; E27-Y48 HydrophobicContact CB-CD2 3.71Å; E27-Y48 HydrophobicContact CB-CE1 4.49Å; E27-Y48 HydrophobicContact CB-CE2 4.05Å; E27-Y48 HydrophobicContact CB-CG 3.78Å; E27-Y48 HydrophobicContact CG-CD1 3.7Å; E27-Y48 HydrophobicContact CG-CD2 4.11Å; E27-Y48 HydrophobicContact CG-CE1 3.85Å; E27-Y48 HydrophobicContact CG-CE2 4.26Å; E27-Y48 HydrophobicContact CG-CG 3.82Å; V30-Y48 HydrophobicContact CB-CE2 4.07Å; V30-Y48 HydrophobicContact CG1-CE2 3.84Å; L31-Y48 HydrophobicContact CD1-CD2 4.04Å; L31-Y48 HydrophobicContact CD2-CD2 3.85Å; L31-Y48 HydrophobicContact CD2-CE2 4.08Å; L31-Y48 HydrophobicContact CG-CD2 3.76Å; L31-Y48 HydrophobicContact CG-CE2 4.15Å; Y48-E50 VanDerWaalsContact C-N 3.3Å; Y48-E50 PolarHBondContact O-N 3.11Å; Y48-I51 PolarHBondContact O-N 2.92Å; Y48-L52 HydrophobicContact CD2-CD1 4.27Å; Y48-L52 HydrophobicContact CE1-CD1 3.89Å; Y48-L52 HydrophobicContact CE2-CD1 3.59Å; Y48-L52 HydrophobicContact CE2-CG 4.47Å; Y48-L52 PolarHBondContact O-N 3.18Å; Y48-I116 HydrophobicContact CD1-CG2 3.66Å; Y48-I116 HydrophobicContact CE1-CG2 3.72Å; Y48-T120 WeakPolarHBondContact CE1-OG1 3.35Å; Y48-T120 PolarHBondContact OH-OG1 3.48Å; Y48-T120 VanDerWaalsContact OH-OG1 3.09Å
49E96.3Very high96.6Very high22 Ų2249.1 Ų49.110%0.10327%0.268CS..Hα-helixtrans-69.5-25.2-177.468.7-87.7-167.400114R22 P47 K53 K113 I116R22-E49 IonicContact CZ-OE2 2.74Å; R22-E49 IonicContact NH1-OE1 2.86Å; R22-E49 IonicContact NH1-OE2 2.85Å; R22-E49 PolarHBondContact NH1-OE2 2.92Å; R22-E49 IonicContact NH2-OE2 3.8Å; R22-E49 PolarHBondContact NH2-OE2 2.71Å; P47-E49 VanDerWaalsContact C-N 3.26Å; P47-E49 PolarHBondContact O-N 3.06Å; P47-E49 VanDerWaalsContact O-N 3.16Å; E49-K53 WeakPolarHBondContact O-CA 3.47Å; E49-K53 VanDerWaalsContact O-CB 3.29Å; E49-K53 WeakPolarHBondContact O-CB 3.4Å; E49-K53 PolarHBondContact O-N 3.43Å; E49-K53 VanDerWaalsContact O-N 3.16Å; E49-K113 HydrophobicContact CG-CD 3.75Å; E49-K113 HydrophobicContact CG-CG 4.15Å; E49-K113 IonicContact OE1-NZ 3.24Å; E49-K113 PolarHBondContact OE1-NZ 3.39Å; E49-I116 HydrophobicContact CB-CD1 3.46Å; E49-I116 VanDerWaalsContact CB-CD1 3.46Å; E49-I116 HydrophobicContact CB-CG1 3.93Å; E49-I116 HydrophobicContact CB-CG2 4.23Å; E49-I116 HydrophobicContact CG-CD1 4.28Å; E49-I116 HydrophobicContact CG-CG1 4.45Å
50E96.8Very high96.7Very high68 Ų6849.5 Ų49.532%0.31825%0.25SS..Hα-helixtrans-79.7-29.3175.6-69.3-63.2140.300111.8K46 P47 Y48 L52 K53 K113K46-E50 HydrophobicContact CB-CB 4.48Å; P47-E50 HydrophobicContact CB-CG 4.48Å; P47-E50 HydrophobicContact CG-CG 4.45Å; P47-E50 PolarHBondContact O-N 3.42Å; Y48-E50 VanDerWaalsContact C-N 3.3Å; Y48-E50 PolarHBondContact O-N 3.11Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-K53 IonicContact OE1-NZ 3.74Å; E50-K53 PolarHBondContact OE1-NZ 2.97Å; E50-K53 VanDerWaalsContact OE2-CD 3.24Å; E50-K53 WeakPolarHBondContact OE2-CD 3.46Å; E50-K53 IonicContact OE2-NZ 3.22Å; E50-K53 PolarHBondContact OE2-NZ 3.13Å; E50-K113 WeakPolarHBondContact OE1-CE 3.43Å; E50-K113 IonicContact OE1-NZ 2.96Å; E50-K113 PolarHBondContact OE1-NZ 3.49Å
51I97.7Very high96.9Very high13 Ų1345.9 Ų45.97%0.06723%0.228CC..Hα-helixtrans-63.9-42.1173.5-64.5170.2000110.4L31 V42 D43 K46 P47 Y48 L57L31-I51 HydrophobicContact CD1-CD1 3.81Å; L31-I51 HydrophobicContact CD2-CD1 4.41Å; L31-I51 HydrophobicContact CD2-CG2 4.1Å; V42-I51 HydrophobicContact CB-CG2 4.05Å; V42-I51 HydrophobicContact CG1-CG2 4.33Å; V42-I51 HydrophobicContact CG2-CD1 4.43Å; V42-I51 HydrophobicContact CG2-CG2 4.34Å; D43-I51 VanDerWaalsContact O-CD1 3.31Å; D43-I51 WeakPolarHBondContact O-CD1 3.48Å; K46-I51 HydrophobicContact CB-CD1 4.47Å; K46-I51 HydrophobicContact CB-CG1 3.81Å; K46-I51 WeakPolarHBondContact O-CD1 3.44Å; P47-I51 PolarHBondContact O-N 3.49Å; P47-I51 VanDerWaalsContact O-N 3.11Å; Y48-I51 PolarHBondContact O-N 2.92Å; I51-L57 HydrophobicContact CG2-CD1 3.55Å
52L98.1Very high97Very high0 Ų037.6 Ų37.60%019%0.192CC..Hα-helixtrans-87.5-14.7-176.3-59.3-178.2000113.8L31 I34 Y48 E50 D54 G55 L58 L110 V119 L123L31-L52 HydrophobicContact CD2-CD2 4.36Å; I34-L52 HydrophobicContact CD1-CD2 3.71Å; Y48-L52 HydrophobicContact CD2-CD1 4.27Å; Y48-L52 HydrophobicContact CE1-CD1 3.89Å; Y48-L52 HydrophobicContact CE2-CD1 3.59Å; Y48-L52 HydrophobicContact CE2-CG 4.47Å; Y48-L52 PolarHBondContact O-N 3.18Å; E50-L52 VanDerWaalsContact C-N 3.34Å; L52-D54 VanDerWaalsContact C-N 3.33Å; L52-D54 PolarHBondContact O-N 2.55Å; L52-G55 PolarHBondContact O-N 2.96Å; L52-L58 HydrophobicContact CD2-CD2 4.02Å; L52-L110 HydrophobicContact CB-CD1 4.08Å; L52-L110 HydrophobicContact CB-CD2 4.36Å; L52-V119 HydrophobicContact CD1-CG1 4.43Å; L52-L123 HydrophobicContact CD1-CD1 3.87Å
53K97.1Very high97.2Very high58 Ų5838.6 Ų38.625%0.25220%0.197SC..THydrogen-bonded Turntrans-54.6-40.7-163.9-167.5172.2-178.5176.20115.1E49 E50 G55 I83E49-K53 WeakPolarHBondContact O-CA 3.47Å; E49-K53 VanDerWaalsContact O-CB 3.29Å; E49-K53 WeakPolarHBondContact O-CB 3.4Å; E49-K53 PolarHBondContact O-N 3.43Å; E49-K53 VanDerWaalsContact O-N 3.16Å; E50-K53 IonicContact OE1-NZ 3.74Å; E50-K53 PolarHBondContact OE1-NZ 2.97Å; E50-K53 VanDerWaalsContact OE2-CD 3.24Å; E50-K53 WeakPolarHBondContact OE2-CD 3.46Å; E50-K53 IonicContact OE2-NZ 3.22Å; E50-K53 PolarHBondContact OE2-NZ 3.13Å; K53-G55 PolarHBondContact O-N 2.87Å; K53-I83 WeakPolarHBondContact O-CG2 3.03Å
54D96.5Very high97.3Very high52 Ų5241.2 Ų41.228%0.27821%0.205SC..THydrogen-bonded Turntrans-75.3-7.8-175.268.79.5000113.5L52 V56 N86L52-D54 VanDerWaalsContact C-N 3.33Å; L52-D54 PolarHBondContact O-N 2.55Å; D54-V56 HydrophobicContact CB-CG2 4.32Å; D54-V56 PolarHBondContact O-N 3.44Å; D54-V56 VanDerWaalsContact O-N 3.16Å; D54-V56 WeakPolarHBondContact OD1-CB 3.4Å; D54-V56 PolarHBondContact OD1-N 3.42Å; D54-N86 WeakPolarHBondContact O-CB 3.36Å; D54-N86 PolarHBondContact O-ND2 3.01Å
55G98Very high97.4Very high0 Ų038.7 Ų38.70%020%0.197CC..SBendtrans70-1.9-178.500000114.7L52 K53 L58 C59L52-G55 PolarHBondContact O-N 2.96Å; K53-G55 PolarHBondContact O-N 2.87Å; G55-L58 PolarHBondContact O-N 2.84Å; G55-C59 PolarHBondContact O-N 2.95Å; G55-C59 PolarHBondContact O-SG 3.09Å
56V98.1Very high97.4Very high7 Ų738.3 Ų38.34%0.04218%0.183CC..Hα-helixtrans-69.1-47.5-175.51730000110.3D54 L58 C59 K60 I73 N74 E75 N86D54-V56 HydrophobicContact CB-CG2 4.32Å; D54-V56 PolarHBondContact O-N 3.44Å; D54-V56 VanDerWaalsContact O-N 3.16Å; D54-V56 WeakPolarHBondContact OD1-CB 3.4Å; D54-V56 PolarHBondContact OD1-N 3.42Å; V56-L58 VanDerWaalsContact C-N 3.3Å; V56-L58 PolarHBondContact O-N 3.01Å; V56-C59 PolarHBondContact O-N 3.22Å; V56-K60 HydrophobicContact CG1-CD 3.99Å; V56-K60 WeakPolarHBondContact O-CG 3.31Å; V56-K60 PolarHBondContact O-N 3.28Å; V56-I73 HydrophobicContact CB-CG2 4.32Å; V56-I73 HydrophobicContact CG1-CG2 4.06Å; V56-I73 HydrophobicContact CG2-CG2 4.12Å; V56-N74 WeakPolarHBondContact CG2-O 3.36Å; V56-E75 WeakPolarHBondContact CG1-OE2 3.47Å; V56-N86 WeakPolarHBondContact CG2-ND2 3.36Å
57L97.8Very high97.4Very high31 Ų3138.3 Ų38.316%0.16219%0.194CC..Hα-helixtrans-59.6-42.4176.6-78.4175.8000111.5L38 V42 I51 C59 K60 V61L38-L57 HydrophobicContact CD1-CD2 3.79Å; V42-L57 HydrophobicContact CG1-CD1 3.76Å; V42-L57 HydrophobicContact CG1-CD2 4.31Å; I51-L57 HydrophobicContact CG2-CD1 3.55Å; L57-C59 PolarHBondContact O-N 3.44Å; L57-K60 PolarHBondContact O-N 3.1Å; L57-V61 VanDerWaalsContact O-CG2 3.3Å; L57-V61 WeakPolarHBondContact O-CG2 3.38Å; L57-V61 PolarHBondContact O-N 3.36Å
58L98.7Very high97.4Very high0 Ų037.9 Ų37.90%020%0.202CC..Hα-helixtrans-60.9-47178-59.9-177.9000111.4L52 G55 V56 K60 V61 I62 F90 F105 L110 L123L52-L58 HydrophobicContact CD2-CD2 4.02Å; G55-L58 PolarHBondContact O-N 2.84Å; V56-L58 VanDerWaalsContact C-N 3.3Å; V56-L58 PolarHBondContact O-N 3.01Å; L58-K60 VanDerWaalsContact C-N 3.33Å; L58-K60 PolarHBondContact O-N 3.18Å; L58-V61 PolarHBondContact O-N 3.41Å; L58-I62 PolarHBondContact O-N 3.25Å; L58-I62 VanDerWaalsContact O-N 3.09Å; L58-F90 VanDerWaalsContact C-CD2 3.46Å; L58-F90 HydrophobicContact CB-CB 4.13Å; L58-F90 HydrophobicContact CB-CD1 3.99Å; L58-F90 HydrophobicContact CB-CD2 3.63Å; L58-F90 HydrophobicContact CB-CE1 4.3Å; L58-F90 HydrophobicContact CB-CE2 3.94Å; L58-F90 HydrophobicContact CB-CG 3.63Å; L58-F90 HydrophobicContact CB-CZ 4.26Å; L58-F90 HydrophobicContact CD1-CD1 4.02Å; L58-F90 HydrophobicContact CD1-CE1 4.2Å; L58-F90 HydrophobicContact CD1-CG 4.46Å; L58-F90 HydrophobicContact CD2-CE1 4.49Å; L58-F90 HydrophobicContact CD2-CZ 4.33Å; L58-F90 WeakPolarHBondContact O-CD2 3.44Å; L58-F90 WeakPolarHBondContact O-CE2 3.39Å; L58-F105 HydrophobicContact CD1-CZ 4.11Å; L58-L110 HydrophobicContact CD1-CD2 3.69Å; L58-L123 HydrophobicContact CD2-CD1 4.14Å; L58-L123 HydrophobicContact CD2-CD2 3.93Å
59C98.8Very high97.4Very high0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-61.7-40.3175.8-67.30000112.4G55 V56 L57 I62 N63 V70 I73 N86G55-C59 PolarHBondContact O-N 2.95Å; G55-C59 PolarHBondContact O-SG 3.09Å; V56-C59 PolarHBondContact O-N 3.22Å; L57-C59 PolarHBondContact O-N 3.44Å; C59-I62 VanDerWaalsContact O-CG2 3.32Å; C59-I62 WeakPolarHBondContact O-CG2 3.31Å; C59-N63 WeakPolarHBondContact O-CB 3.31Å; C59-N63 PolarHBondContact O-N 2.92Å; C59-V70 HydrophobicContact CB-CB 4.4Å; C59-V70 HydrophobicContact CB-CG1 4.18Å; C59-V70 HydrophobicContact CB-CG2 4.33Å; C59-I73 HydrophobicContact CB-CD1 3.53Å; C59-I73 HydrophobicContact CB-CG1 3.69Å; C59-I73 HydrophobicContact CB-CG2 4.1Å; C59-N86 PolarHBondContact SG-O 3.32Å
60K98.5Very high97.5Very high75 Ų7538.5 Ų38.533%0.32621%0.209SC..Hα-helixtrans-64-41.6176.3-74.8173.4-179.8165.60111.4L38 V56 L57 L58 N63 K64 I73 E75L38-K60 HydrophobicContact CD1-CB 4.3Å; L38-K60 HydrophobicContact CD2-CB 3.93Å; V56-K60 HydrophobicContact CG1-CD 3.99Å; V56-K60 WeakPolarHBondContact O-CG 3.31Å; V56-K60 PolarHBondContact O-N 3.28Å; L57-K60 PolarHBondContact O-N 3.1Å; L58-K60 VanDerWaalsContact C-N 3.33Å; L58-K60 PolarHBondContact O-N 3.18Å; K60-N63 PolarHBondContact O-N 3.48Å; K60-K64 WeakPolarHBondContact O-CB 3.48Å; K60-K64 PolarHBondContact O-N 2.8Å; K60-I73 HydrophobicContact CG-CD1 4.14Å; K60-E75 WeakPolarHBondContact CE-OE1 3.34Å; K60-E75 IonicContact NZ-OE1 2.66Å; K60-E75 PolarHBondContact NZ-OE1 3.19Å; K60-E75 VanDerWaalsContact NZ-OE1 3.15Å; K60-E75 IonicContact NZ-OE2 2.9Å; K60-E75 PolarHBondContact NZ-OE2 3.02Å
61V98.6Very high97.4Very high0 Ų045.1 Ų45.10%024%0.237CC..Hα-helixtrans-59.5-53.3176.8167.60000110.3W33 I34 V37 L38 L57 L58 N63 K64 L65 L126W33-V61 HydrophobicContact CH2-CG1 3.97Å; W33-V61 HydrophobicContact CZ3-CG1 3.98Å; I34-V61 HydrophobicContact CB-CG2 4.3Å; I34-V61 HydrophobicContact CG1-CG2 4.01Å; I34-V61 HydrophobicContact CG2-CG2 3.8Å; V37-V61 HydrophobicContact CG1-CG1 4.36Å; L38-V61 HydrophobicContact CD1-CG2 4.03Å; L38-V61 HydrophobicContact CD2-CG2 4.15Å; L38-V61 HydrophobicContact CG-CG2 3.99Å; L57-V61 VanDerWaalsContact O-CG2 3.3Å; L57-V61 WeakPolarHBondContact O-CG2 3.38Å; L57-V61 PolarHBondContact O-N 3.36Å; L58-V61 PolarHBondContact O-N 3.41Å; V61-N63 VanDerWaalsContact C-N 3.31Å; V61-N63 PolarHBondContact O-N 3Å; V61-K64 WeakPolarHBondContact O-CB 3.45Å; V61-K64 PolarHBondContact O-N 2.93Å; V61-L65 HydrophobicContact CG1-CD1 3.92Å; V61-L65 HydrophobicContact CG1-CG 4.45Å; V61-L65 WeakPolarHBondContact O-CG 3.46Å; V61-L65 PolarHBondContact O-N 3.23Å; V61-L126 HydrophobicContact CG1-CD2 4.33Å
62I98.4Very high97.4Very high0 Ų052.7 Ų52.70%027%0.265CS..Hα-helixtrans-67-33-178-167.853000112.5L58 C59 K64 L65 K66 V70 F90 A93 I94 Y97 L126L58-I62 PolarHBondContact O-N 3.25Å; L58-I62 VanDerWaalsContact O-N 3.09Å; C59-I62 VanDerWaalsContact O-CG2 3.32Å; C59-I62 WeakPolarHBondContact O-CG2 3.31Å; I62-K64 VanDerWaalsContact C-N 3.3Å; I62-K64 PolarHBondContact O-N 3.44Å; I62-L65 HydrophobicContact CD1-CB 4.38Å; I62-L65 HydrophobicContact CD1-CD1 4.37Å; I62-L65 PolarHBondContact O-N 3.42Å; I62-K66 CarbonylContact O-C 3.56Å; I62-K66 PolarHBondContact O-N 2.9Å; I62-V70 HydrophobicContact CG2-CG2 3.8Å; I62-F90 HydrophobicContact CB-CD2 4.06Å; I62-F90 HydrophobicContact CB-CE2 4.18Å; I62-F90 HydrophobicContact CG2-CD2 3.85Å; I62-F90 HydrophobicContact CG2-CE2 4.46Å; I62-A93 HydrophobicContact CB-CB 4.44Å; I62-A93 HydrophobicContact CG1-CB 3.71Å; I62-A93 HydrophobicContact CG2-CB 3.92Å; I62-I94 HydrophobicContact CB-CG2 4.4Å; I62-I94 HydrophobicContact CD1-CG2 3.97Å; I62-I94 HydrophobicContact CG1-CG2 4.03Å; I62-Y97 HydrophobicContact CD1-CD1 4.4Å; I62-Y97 HydrophobicContact CD1-CD2 4.33Å; I62-Y97 HydrophobicContact CD1-CG 4.03Å; I62-L126 HydrophobicContact CD1-CD1 4.28Å
63N98.3Very high97.4Very high37 Ų3754.3 Ų54.320%0.19827%0.273CS..Hα-helixtrans-68.8-28172.5-85.4-11.8000113.4C59 K60 V61 K66 P67 S69 V70C59-N63 WeakPolarHBondContact O-CB 3.31Å; C59-N63 PolarHBondContact O-N 2.92Å; K60-N63 PolarHBondContact O-N 3.48Å; V61-N63 VanDerWaalsContact C-N 3.31Å; V61-N63 PolarHBondContact O-N 3Å; N63-K66 CarbonylContact O-C 3.58Å; N63-P67 VanDerWaalsContact O-CA 3.25Å; N63-P67 WeakPolarHBondContact O-CA 3.3Å; N63-S69 PolarHBondContact OD1-N 3.29Å; N63-S69 VanDerWaalsContact OD1-N 3.13Å; N63-V70 PolarHBondContact ND2-O 2.95Å; N63-V70 PolarHBondContact OD1-N 3.45Å; N63-V70 PolarHBondContact OD1-O 3.28Å
64K96.8Very high97.4Very high133 Ų13352 Ų5258%0.57826%0.264SS*.Hα-helixtrans-73.3-39.3173.4-17765.2174.5-171.30111.6V37 L38 K60 V61 I62V37-K64 HydrophobicContact CG1-CB 4.09Å; V37-K64 HydrophobicContact CG1-CG 3.79Å; V37-K64 WeakPolarHBondContact O-CE 3.3Å; V37-K64 WeakPolarHBondContact O-CG 3.17Å; L38-K64 HydrophobicContact CD2-CB 4.13Å; K60-K64 WeakPolarHBondContact O-CB 3.48Å; K60-K64 PolarHBondContact O-N 2.8Å; V61-K64 WeakPolarHBondContact O-CB 3.45Å; V61-K64 PolarHBondContact O-N 2.93Å; I62-K64 VanDerWaalsContact C-N 3.3Å; I62-K64 PolarHBondContact O-N 3.44Å
65L96Very high97.3Very high27 Ų2754 Ų5414%0.14127%0.271CS..Hα-helixtrans-71.5-44.7177.5-63.7172.4000111.9W33 V37 V61 I62 L126 C130 Y136W33-L65 HydrophobicContact CH2-CD1 4.08Å; W33-L65 HydrophobicContact CZ2-CD1 4.37Å; V37-L65 HydrophobicContact CG1-CD2 4.08Å; V37-L65 HydrophobicContact CG1-CG 4.34Å; V61-L65 HydrophobicContact CG1-CD1 3.92Å; V61-L65 HydrophobicContact CG1-CG 4.45Å; V61-L65 WeakPolarHBondContact O-CG 3.46Å; V61-L65 PolarHBondContact O-N 3.23Å; I62-L65 HydrophobicContact CD1-CB 4.38Å; I62-L65 HydrophobicContact CD1-CD1 4.37Å; I62-L65 PolarHBondContact O-N 3.42Å; L65-L126 HydrophobicContact CD1-CD1 4.19Å; L65-L126 HydrophobicContact CD1-CD2 4.08Å; L65-L126 HydrophobicContact CD1-CG 4.18Å; L65-C130 VanDerWaalsContact CD1-SG 3.57Å; L65-Y136 HydrophobicContact CD2-CD2 4.18Å; L65-Y136 HydrophobicContact CD2-CE2 3.36Å
66K95.6Very high97Very high93 Ų9360.7 Ų60.740%0.40431%0.307SS..SBendtrans-13698.8177.6-179.3174175.3176.90109.4I62 N63 G68 S69 Y97I62-K66 CarbonylContact O-C 3.56Å; I62-K66 PolarHBondContact O-N 2.9Å; N63-K66 CarbonylContact O-C 3.58Å; K66-G68 PolarHBondContact O-N 3.5Å; K66-S69 VanDerWaalsContact CB-OG 3.31Å; K66-S69 WeakPolarHBondContact CB-OG 3.3Å; K66-S69 WeakPolarHBondContact CG-OG 3.39Å; K66-S69 WeakPolarHBondContact O-CB 3.33Å; K66-S69 PolarHBondContact O-N 3.46Å; K66-S69 PolarHBondContact O-OG 2.87Å; K66-Y97 HydrophobicContact CB-CD2 3.93Å; K66-Y97 HydrophobicContact CB-CE2 3.97Å; K66-Y97 HydrophobicContact CD-CD2 3.78Å; K66-Y97 HydrophobicContact CD-CE2 4.36Å
67P96.3Very high96.6Very high112 Ų11260.8 Ų60.873%0.72731%0.308SS*.THydrogen-bonded Turntrans-52.1135.3179.5-29.236.5000112.8N63N63-P67 VanDerWaalsContact O-CA 3.25Å; N63-P67 WeakPolarHBondContact O-CA 3.3Å
68G95.7Very high96.3Very high59 Ų5964.9 Ų64.961%0.60834%0.335SS*.THydrogen-bonded Turntrans81.37.1177.800000115.8K66K66-G68 PolarHBondContact O-N 3.5Å
69S97.9Very high96.2Very high35 Ų3569.5 Ų69.525%0.24536%0.358CS..SBendtrans-64.4-43.6179.2-61.90000113.2N63 K66N63-S69 PolarHBondContact OD1-N 3.29Å; N63-S69 VanDerWaalsContact OD1-N 3.13Å; K66-S69 VanDerWaalsContact CB-OG 3.31Å; K66-S69 WeakPolarHBondContact CB-OG 3.3Å; K66-S69 WeakPolarHBondContact CG-OG 3.39Å; K66-S69 WeakPolarHBondContact O-CB 3.33Å; K66-S69 PolarHBondContact O-N 3.46Å; K66-S69 PolarHBondContact O-OG 2.87Å
70V98.2Very high96.1Very high8 Ų872.6 Ų72.65%0.04838%0.378CS..SBendtrans-112.3109.2173.4178.20000108.7C59 I62 N63 R72 I73 A89 A93C59-V70 HydrophobicContact CB-CB 4.4Å; C59-V70 HydrophobicContact CB-CG1 4.18Å; C59-V70 HydrophobicContact CB-CG2 4.33Å; I62-V70 HydrophobicContact CG2-CG2 3.8Å; N63-V70 PolarHBondContact ND2-O 2.95Å; N63-V70 PolarHBondContact OD1-N 3.45Å; N63-V70 PolarHBondContact OD1-O 3.28Å; V70-R72 WeakPolarHBondContact CG1-O 3.44Å; V70-I73 HydrophobicContact CG1-CG1 3.8Å; V70-A89 HydrophobicContact CG1-CB 3.85Å; V70-A89 HydrophobicContact CG2-CB 4.14Å; V70-A93 HydrophobicContact CG2-CB 3.87Å
71K95.6Very high96Very high208 Ų20875 Ų7590%0.90439%0.389SS*.SBendtrans-70.2-38.7-175.1-64.9179.1-178.9177.80113.4
72R96Very high96Very high171 Ų17178.4 Ų78.465%0.64540%0.404SS*.  trans-132.1123.4-177.2-176.9-177.7179.1-169.41.8109.3V70V70-R72 WeakPolarHBondContact CG1-O 3.44Å
73I97.9Very high96Very high34 Ų3479.1 Ų79.117%0.17441%0.407CS..  trans-109126.5173.7-54.4177.1000107.2V56 C59 K60 V70 E75V56-I73 HydrophobicContact CB-CG2 4.32Å; V56-I73 HydrophobicContact CG1-CG2 4.06Å; V56-I73 HydrophobicContact CG2-CG2 4.12Å; C59-I73 HydrophobicContact CB-CD1 3.53Å; C59-I73 HydrophobicContact CB-CG1 3.69Å; C59-I73 HydrophobicContact CB-CG2 4.1Å; K60-I73 HydrophobicContact CG-CD1 4.14Å; V70-I73 HydrophobicContact CG1-CG1 3.8Å; I73-E75 VanDerWaalsContact C-N 3.31Å; I73-E75 PolarHBondContact O-N 3.44Å
74N97.6Very high95.9Very high10 Ų1080.4 Ų80.45%0.05341%0.413CS..  trans-75.188.1170.4-68.3-58.7000108.8V56 A77 K82 E85 N86V56-N74 WeakPolarHBondContact CG2-O 3.36Å; N74-A77 HydrophobicContact CB-CB 4.17Å; N74-A77 WeakPolarHBondContact O-CB 3.13Å; N74-A77 PolarHBondContact O-N 3.09Å; N74-K82 HydrophobicContact CB-CB 3.86Å; N74-K82 HydrophobicContact CB-CD 4.26Å; N74-K82 HydrophobicContact CB-CG 4.27Å; N74-K82 PolarHBondContact ND2-O 2.87Å; N74-E85 PolarHBondContact ND2-OE2 2.86Å; N74-N86 WeakPolarHBondContact CB-OD1 3.43Å; N74-N86 PolarHBondContact N-OD1 2.82Å; N74-N86 PolarHBondContact O-ND2 3.26Å
75E95.2Very high96Very high93 Ų9378.2 Ų78.244%0.43540%0.404SS..THydrogen-bonded Turntrans-61.3145.6171.6-61.6-69.8163.900110.2V56 K60 I73 A77V56-E75 WeakPolarHBondContact CG1-OE2 3.47Å; K60-E75 WeakPolarHBondContact CE-OE1 3.34Å; K60-E75 IonicContact NZ-OE1 2.66Å; K60-E75 PolarHBondContact NZ-OE1 3.19Å; K60-E75 VanDerWaalsContact NZ-OE1 3.15Å; K60-E75 IonicContact NZ-OE2 2.9Å; K60-E75 PolarHBondContact NZ-OE2 3.02Å; I73-E75 VanDerWaalsContact C-N 3.31Å; I73-E75 PolarHBondContact O-N 3.44Å; E75-A77 PolarHBondContact O-N 3.15Å
76N91.1Very high96.1Very high142 Ų14276.9 Ų76.976%0.75940%0.398SS*.THydrogen-bonded Turntrans53.738.2-177.1-53.4-49.8000113.3T78N76-T78 PolarHBondContact O-N 3.5Å
77A89.8Confident96.3Very high8 Ų872.5 Ų72.57%0.06638%0.378CS..  trans-64.697.1179.700000111.5N74 E75 K82 I83N74-A77 HydrophobicContact CB-CB 4.17Å; N74-A77 WeakPolarHBondContact O-CB 3.13Å; N74-A77 PolarHBondContact O-N 3.09Å; E75-A77 PolarHBondContact O-N 3.15Å; A77-K82 HydrophobicContact CB-CB 3.75Å; A77-I83 HydrophobicContact CB-CG1 3.8Å; A77-I83 WeakPolarHBondContact O-CD1 3.5Å; A77-I83 VanDerWaalsContact O-CG1 3.27Å; A77-I83 WeakPolarHBondContact O-CG1 3.42Å
78T92Very high96.4Very high118 Ų11870.3 Ų70.372%0.72436%0.361SS*.  trans-95.3-26.6172.354.30000112.6N76N76-T78 PolarHBondContact O-N 3.5Å
79M95.8Very high96.5Very high96 Ų9668.9 Ų68.947%0.47334%0.343SS..SBendtrans-82.1135.1-179-59-57.2-69.200111F81 K82 I83M79-F81 VanDerWaalsContact C-N 3.32Å; M79-F81 HydrophobicContact CB-CD1 3.87Å; M79-F81 HydrophobicContact CB-CE1 3.51Å; M79-F81 HydrophobicContact CB-CZ 4.13Å; M79-F81 HydrophobicContact CE-CE1 4.42Å; M79-F81 HydrophobicContact CG-CE1 4.07Å; M79-F81 PolarHBondContact O-N 3.26Å; M79-F81 VanDerWaalsContact O-N 3.16Å; M79-K82 HydrophobicContact CB-CG 4.41Å; M79-K82 PolarHBondContact O-N 2.95Å; M79-I83 PolarHBondContact O-N 2.67Å
80P97Very high96.6Very high66 Ų6667.2 Ų67.243%0.42933%0.332SS..Hα-helixtrans-48.2-45.9-178.1-34.638.3000115.3K82 I83 M84 F111P80-K82 VanDerWaalsContact C-N 3.33Å; P80-K82 PolarHBondContact O-N 3.35Å; P80-I83 PolarHBondContact O-N 3.24Å; P80-M84 WeakPolarHBondContact O-CG 3.37Å; P80-M84 PolarHBondContact O-N 2.81Å; P80-F111 HydrophobicContact CB-CE1 4.42Å; P80-F111 HydrophobicContact CB-CE2 4.19Å; P80-F111 HydrophobicContact CB-CZ 3.6Å; P80-F111 HydrophobicContact CG-CZ 4.07Å
81F96.3Very high96.6Very high125 Ų12567.5 Ų67.555%0.54833%0.332SS..Hα-helixtrans-65.8-33.7-177.568.7-91.9000112.9M79 E85M79-F81 VanDerWaalsContact C-N 3.32Å; M79-F81 HydrophobicContact CB-CD1 3.87Å; M79-F81 HydrophobicContact CB-CE1 3.51Å; M79-F81 HydrophobicContact CB-CZ 4.13Å; M79-F81 HydrophobicContact CE-CE1 4.42Å; M79-F81 HydrophobicContact CG-CE1 4.07Å; M79-F81 PolarHBondContact O-N 3.26Å; M79-F81 VanDerWaalsContact O-N 3.16Å; F81-E85 VanDerWaalsContact O-CB 3.31Å; F81-E85 WeakPolarHBondContact O-CB 3.43Å; F81-E85 PolarHBondContact O-N 2.89Å
82K98Very high96.8Very high72 Ų7262.8 Ų62.831%0.31331%0.314SS..Hα-helixtrans-69.5-39.3176.6-70-172.8174.7-178.30111.5N74 A77 M79 P80 E85 N86N74-K82 HydrophobicContact CB-CB 3.86Å; N74-K82 HydrophobicContact CB-CD 4.26Å; N74-K82 HydrophobicContact CB-CG 4.27Å; N74-K82 PolarHBondContact ND2-O 2.87Å; A77-K82 HydrophobicContact CB-CB 3.75Å; M79-K82 HydrophobicContact CB-CG 4.41Å; M79-K82 PolarHBondContact O-N 2.95Å; P80-K82 VanDerWaalsContact C-N 3.33Å; P80-K82 PolarHBondContact O-N 3.35Å; K82-E85 PolarHBondContact O-N 3.39Å; K82-N86 PolarHBondContact O-N 2.8Å
83I98.1Very high96.9Very high15 Ų1555 Ų558%0.07729%0.286CS..Hα-helixtrans-64-49.5176.2-63.8171.6000109.7K53 A77 M79 P80 E85 N86 I87 F111K53-I83 WeakPolarHBondContact O-CG2 3.03Å; A77-I83 HydrophobicContact CB-CG1 3.8Å; A77-I83 WeakPolarHBondContact O-CD1 3.5Å; A77-I83 VanDerWaalsContact O-CG1 3.27Å; A77-I83 WeakPolarHBondContact O-CG1 3.42Å; M79-I83 PolarHBondContact O-N 2.67Å; P80-I83 PolarHBondContact O-N 3.24Å; I83-E85 VanDerWaalsContact C-N 3.31Å; I83-E85 PolarHBondContact O-N 2.91Å; I83-N86 PolarHBondContact O-N 3.4Å; I83-I87 HydrophobicContact CG2-CD1 3.84Å; I83-I87 HydrophobicContact CG2-CG1 4.5Å; I83-I87 WeakPolarHBondContact O-CG1 3.26Å; I83-I87 PolarHBondContact O-N 2.91Å; I83-F111 HydrophobicContact CB-CD2 4.17Å; I83-F111 HydrophobicContact CB-CE2 4.17Å; I83-F111 HydrophobicContact CD1-CE2 4.04Å; I83-F111 HydrophobicContact CG2-CD2 3.6Å; I83-F111 HydrophobicContact CG2-CE2 4.07Å
84M97.9Very high96.9Very high64 Ų6453.4 Ų53.432%0.31528%0.278SS..Hα-helixtrans-60.4-39.5176.8-68.9-179.4176.300112.1P80 I87 N88 T107 F111P80-M84 WeakPolarHBondContact O-CG 3.37Å; P80-M84 PolarHBondContact O-N 2.81Å; M84-I87 PolarHBondContact O-N 3.41Å; M84-N88 VanDerWaalsContact O-CB 3.31Å; M84-N88 WeakPolarHBondContact O-CB 3.42Å; M84-N88 PolarHBondContact O-N 3.35Å; M84-N88 PolarHBondContact O-ND2 2.92Å; M84-N88 PolarHBondContact O-OD1 3.3Å; M84-T107 HydrophobicContact CB-CG2 3.93Å; M84-T107 HydrophobicContact CG-CG2 3.78Å; M84-F111 HydrophobicContact CE-CD1 3.32Å; M84-F111 HydrophobicContact CE-CE1 3.37Å; M84-F111 HydrophobicContact CE-CG 4.09Å; M84-F111 HydrophobicContact CE-CZ 4.16Å; M84-F111 HydrophobicContact CG-CG 4.39Å
85E98.3Very high97Very high86 Ų8656.2 Ų56.240%0.40229%0.29SS..Hα-helixtrans-62.2-44.3176.1-172.7-179.6-173.900111.9N74 F81 K82 I83 N88 A89N74-E85 PolarHBondContact ND2-OE2 2.86Å; F81-E85 VanDerWaalsContact O-CB 3.31Å; F81-E85 WeakPolarHBondContact O-CB 3.43Å; F81-E85 PolarHBondContact O-N 2.89Å; K82-E85 PolarHBondContact O-N 3.39Å; I83-E85 VanDerWaalsContact C-N 3.31Å; I83-E85 PolarHBondContact O-N 2.91Å; E85-N88 PolarHBondContact O-N 3.28Å; E85-A89 VanDerWaalsContact O-CB 3.31Å; E85-A89 WeakPolarHBondContact O-CB 3.35Å; E85-A89 PolarHBondContact O-N 3.26Å
86N98.7Very high97.1Very high0 Ų055.3 Ų55.30%030%0.298CS..Hα-helixtrans-60.7-48.7174.5-72.5-14.7000111.5D54 V56 C59 N74 K82 I83 N88 A89 F90D54-N86 WeakPolarHBondContact O-CB 3.36Å; D54-N86 PolarHBondContact O-ND2 3.01Å; V56-N86 WeakPolarHBondContact CG2-ND2 3.36Å; C59-N86 PolarHBondContact SG-O 3.32Å; N74-N86 WeakPolarHBondContact CB-OD1 3.43Å; N74-N86 PolarHBondContact N-OD1 2.82Å; N74-N86 PolarHBondContact O-ND2 3.26Å; K82-N86 PolarHBondContact O-N 2.8Å; I83-N86 PolarHBondContact O-N 3.4Å; N86-N88 VanDerWaalsContact C-N 3.35Å; N86-N88 PolarHBondContact O-N 2.83Å; N86-A89 PolarHBondContact O-N 3.38Å; N86-F90 PolarHBondContact O-N 3.03Å
87I98.7Very high97.4Very high0 Ų049 Ų490%026%0.264CS..Hα-helixtrans-60.3-46.1-180-67.1169.5000110.6I83 M84 A89 F90 Q91 F105 T107 L110 F111I83-I87 HydrophobicContact CG2-CD1 3.84Å; I83-I87 HydrophobicContact CG2-CG1 4.5Å; I83-I87 WeakPolarHBondContact O-CG1 3.26Å; I83-I87 PolarHBondContact O-N 2.91Å; M84-I87 PolarHBondContact O-N 3.41Å; I87-A89 PolarHBondContact O-N 3.05Å; I87-F90 WeakPolarHBondContact O-CB 3.42Å; I87-F90 PolarHBondContact O-N 3.38Å; I87-Q91 HydrophobicContact CG2-CG 4.4Å; I87-Q91 VanDerWaalsContact O-CG 3.3Å; I87-Q91 WeakPolarHBondContact O-CG 3.34Å; I87-Q91 PolarHBondContact O-N 3.02Å; I87-F105 HydrophobicContact CG2-CE2 3.64Å; I87-F105 HydrophobicContact CG2-CZ 3.94Å; I87-T107 HydrophobicContact CB-CG2 4.13Å; I87-T107 HydrophobicContact CD1-CG2 4.34Å; I87-T107 HydrophobicContact CG2-CG2 3.93Å; I87-L110 HydrophobicContact CD1-CB 4.31Å; I87-L110 HydrophobicContact CD1-CD2 3.99Å; I87-L110 HydrophobicContact CD1-CG 4.18Å; I87-L110 HydrophobicContact CG1-CD2 4.14Å; I87-F111 HydrophobicContact CD1-CB 4.2Å
88N98.5Very high97.7Very high66 Ų6650.8 Ų50.835%0.35328%0.283SS..Hα-helixtrans-64.4-41.4178.8-68.6-7.2000111.4M84 E85 N86 F90 Q91 E92 T107M84-N88 VanDerWaalsContact O-CB 3.31Å; M84-N88 WeakPolarHBondContact O-CB 3.42Å; M84-N88 PolarHBondContact O-N 3.35Å; M84-N88 PolarHBondContact O-ND2 2.92Å; M84-N88 PolarHBondContact O-OD1 3.3Å; E85-N88 PolarHBondContact O-N 3.28Å; N86-N88 VanDerWaalsContact C-N 3.35Å; N86-N88 PolarHBondContact O-N 2.83Å; N88-F90 VanDerWaalsContact C-N 3.32Å; N88-F90 PolarHBondContact O-N 2.82Å; N88-Q91 PolarHBondContact O-N 3.15Å; N88-Q91 PolarHBondContact OD1-OE1 3.41Å; N88-E92 WeakPolarHBondContact O-CG 3.36Å; N88-E92 PolarHBondContact O-N 3.3Å; N88-T107 PolarHBondContact OD1-OG1 3.24Å
89A98.7Very high98Very high30 Ų3045.4 Ų45.425%0.24825%0.25CC..Hα-helixtrans-61.5-41.4176.100000111.8V70 E85 N86 I87 A93V70-A89 HydrophobicContact CG1-CB 3.85Å; V70-A89 HydrophobicContact CG2-CB 4.14Å; E85-A89 VanDerWaalsContact O-CB 3.31Å; E85-A89 WeakPolarHBondContact O-CB 3.35Å; E85-A89 PolarHBondContact O-N 3.26Å; N86-A89 PolarHBondContact O-N 3.38Å; I87-A89 PolarHBondContact O-N 3.05Å; A89-A93 WeakPolarHBondContact O-CB 3.43Å; A89-A93 PolarHBondContact O-N 3.44Å
90F98.8Very high98Very high0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-61.8-47.7172.5170.3-102.6000112.1L58 I62 N86 I87 N88 E92 A93 I94 F105 L123 L126L58-F90 VanDerWaalsContact C-CD2 3.46Å; L58-F90 HydrophobicContact CB-CB 4.13Å; L58-F90 HydrophobicContact CB-CD1 3.99Å; L58-F90 HydrophobicContact CB-CD2 3.63Å; L58-F90 HydrophobicContact CB-CE1 4.3Å; L58-F90 HydrophobicContact CB-CE2 3.94Å; L58-F90 HydrophobicContact CB-CG 3.63Å; L58-F90 HydrophobicContact CB-CZ 4.26Å; L58-F90 HydrophobicContact CD1-CD1 4.02Å; L58-F90 HydrophobicContact CD1-CE1 4.2Å; L58-F90 HydrophobicContact CD1-CG 4.46Å; L58-F90 HydrophobicContact CD2-CE1 4.49Å; L58-F90 HydrophobicContact CD2-CZ 4.33Å; L58-F90 WeakPolarHBondContact O-CD2 3.44Å; L58-F90 WeakPolarHBondContact O-CE2 3.39Å; I62-F90 HydrophobicContact CB-CD2 4.06Å; I62-F90 HydrophobicContact CB-CE2 4.18Å; I62-F90 HydrophobicContact CG2-CD2 3.85Å; I62-F90 HydrophobicContact CG2-CE2 4.46Å; N86-F90 PolarHBondContact O-N 3.03Å; I87-F90 WeakPolarHBondContact O-CB 3.42Å; I87-F90 PolarHBondContact O-N 3.38Å; N88-F90 VanDerWaalsContact C-N 3.32Å; N88-F90 PolarHBondContact O-N 2.82Å; F90-E92 PolarHBondContact O-N 3.36Å; F90-A93 WeakPolarHBondContact O-CB 3.41Å; F90-A93 PolarHBondContact O-N 3.25Å; F90-I94 HydrophobicContact CD1-CD1 4.36Å; F90-I94 HydrophobicContact CD2-CG2 3.89Å; F90-I94 HydrophobicContact CE1-CD1 3.73Å; F90-I94 HydrophobicContact CE1-CG1 4.49Å; F90-I94 HydrophobicContact CE1-CG2 4.15Å; F90-I94 HydrophobicContact CE2-CG2 3.42Å; F90-I94 VanDerWaalsContact CE2-CG2 3.42Å; F90-I94 HydrophobicContact CG-CG2 4.48Å; F90-I94 HydrophobicContact CZ-CD1 4.03Å; F90-I94 HydrophobicContact CZ-CG2 3.56Å; F90-I94 WeakPolarHBondContact O-CG1 3.35Å; F90-I94 PolarHBondContact O-N 3.39Å; F90-F105 HydrophobicContact CD1-CE1 4.19Å; F90-F105 HydrophobicContact CD1-CZ 4.33Å; F90-F105 AromaticContact CE1-CE1 3.87Å; F90-F105 HydrophobicContact CE1-CE1 3.87Å; F90-F105 HydrophobicContact CE1-CZ 4.43Å; F90-L123 HydrophobicContact CZ-CD2 3.89Å; F90-L126 HydrophobicContact CE2-CD2 4.05Å; F90-L126 HydrophobicContact CZ-CD2 4.02Å
91Q98.8Very high98Very high13 Ų1345.6 Ų45.66%0.06126%0.257CS..Hα-helixtrans-57.5-46.7179.2-73.4167.8-8.400111.9I87 N88 I94 K95 V104 F105I87-Q91 HydrophobicContact CG2-CG 4.4Å; I87-Q91 VanDerWaalsContact O-CG 3.3Å; I87-Q91 WeakPolarHBondContact O-CG 3.34Å; I87-Q91 PolarHBondContact O-N 3.02Å; N88-Q91 PolarHBondContact O-N 3.15Å; N88-Q91 PolarHBondContact OD1-OE1 3.41Å; Q91-I94 VanDerWaalsContact O-CG1 3.25Å; Q91-I94 WeakPolarHBondContact O-CG1 3.32Å; Q91-I94 PolarHBondContact O-N 3.37Å; Q91-K95 VanDerWaalsContact O-CG 3.26Å; Q91-K95 WeakPolarHBondContact O-CG 3.29Å; Q91-K95 PolarHBondContact O-N 2.93Å; Q91-K95 VanDerWaalsContact O-N 3.11Å; Q91-V104 HydrophobicContact CB-CG1 3.92Å; Q91-V104 HydrophobicContact CG-CG1 3.76Å; Q91-F105 PolarHBondContact NE2-O 2.9Å
92E98.6Very high98.1Very high110 Ų11043.8 Ų43.851%0.51427%0.265SS..Hα-helixtrans-65.6-39.9176.8-66.4-52117.400111.9N88 F90 I94 K95 A96N88-E92 WeakPolarHBondContact O-CG 3.36Å; N88-E92 PolarHBondContact O-N 3.3Å; F90-E92 PolarHBondContact O-N 3.36Å; E92-I94 PolarHBondContact O-N 3.39Å; E92-K95 PolarHBondContact O-N 2.99Å; E92-K95 IonicContact OE1-NZ 3.01Å; E92-K95 PolarHBondContact OE1-NZ 2.8Å; E92-A96 WeakPolarHBondContact O-CB 3.37Å; E92-A96 PolarHBondContact O-N 3.03Å
93A98.7Very high98Very high8 Ų842.7 Ų42.77%0.06626%0.262CS..Hα-helixtrans-62.2-43.2177.600000112.7I62 V70 A89 F90 A96 Y97I62-A93 HydrophobicContact CB-CB 4.44Å; I62-A93 HydrophobicContact CG1-CB 3.71Å; I62-A93 HydrophobicContact CG2-CB 3.92Å; V70-A93 HydrophobicContact CG2-CB 3.87Å; A89-A93 WeakPolarHBondContact O-CB 3.43Å; A89-A93 PolarHBondContact O-N 3.44Å; F90-A93 WeakPolarHBondContact O-CB 3.41Å; F90-A93 PolarHBondContact O-N 3.25Å; A93-A96 PolarHBondContact O-N 3.16Å; A93-Y97 WeakPolarHBondContact O-CB 3.35Å; A93-Y97 PolarHBondContact O-N 3.45Å
94I98.6Very high98Very high0 Ų042.8 Ų42.80%026%0.263CS..Hα-helixtrans-73.9-32.7179.465.1171.3000112.8I62 F90 Q91 E92 A96 Y97 G98 V99 V104 C122 L126I62-I94 HydrophobicContact CB-CG2 4.4Å; I62-I94 HydrophobicContact CD1-CG2 3.97Å; I62-I94 HydrophobicContact CG1-CG2 4.03Å; F90-I94 HydrophobicContact CD1-CD1 4.36Å; F90-I94 HydrophobicContact CD2-CG2 3.89Å; F90-I94 HydrophobicContact CE1-CD1 3.73Å; F90-I94 HydrophobicContact CE1-CG1 4.49Å; F90-I94 HydrophobicContact CE1-CG2 4.15Å; F90-I94 HydrophobicContact CE2-CG2 3.42Å; F90-I94 VanDerWaalsContact CE2-CG2 3.42Å; F90-I94 HydrophobicContact CG-CG2 4.48Å; F90-I94 HydrophobicContact CZ-CD1 4.03Å; F90-I94 HydrophobicContact CZ-CG2 3.56Å; F90-I94 WeakPolarHBondContact O-CG1 3.35Å; F90-I94 PolarHBondContact O-N 3.39Å; Q91-I94 VanDerWaalsContact O-CG1 3.25Å; Q91-I94 WeakPolarHBondContact O-CG1 3.32Å; Q91-I94 PolarHBondContact O-N 3.37Å; E92-I94 PolarHBondContact O-N 3.39Å; I94-A96 VanDerWaalsContact C-N 3.35Å; I94-Y97 WeakPolarHBondContact O-CB 3.48Å; I94-Y97 PolarHBondContact O-N 2.86Å; I94-Y97 VanDerWaalsContact O-N 3.15Å; I94-G98 PolarHBondContact O-N 3.25Å; I94-G98 VanDerWaalsContact O-N 3.16Å; I94-V99 HydrophobicContact CB-CB 4.21Å; I94-V99 HydrophobicContact CB-CG2 3.91Å; I94-V99 HydrophobicContact CD1-CG1 4.4Å; I94-V99 HydrophobicContact CG1-CB 4.4Å; I94-V99 WeakPolarHBondContact O-CB 3.27Å; I94-V99 PolarHBondContact O-N 2.96Å; I94-V104 HydrophobicContact CD1-CG1 4.26Å; I94-V104 HydrophobicContact CD1-CG2 3.95Å; I94-V104 HydrophobicContact CG1-CG2 4.22Å; I94-C122 WeakPolarHBondContact CD1-SG 3.34Å; I94-L126 HydrophobicContact CB-CD1 4.29Å; I94-L126 HydrophobicContact CG2-CD1 3.87Å; I94-L126 HydrophobicContact CG2-CD2 3.95Å; I94-L126 HydrophobicContact CG2-CG 4.45Å
95K98.6Very high98.1Very high69 Ų6939.9 Ų39.930%0.325%0.249SC..Hα-helixtrans-60.2-48170.5-71.1172.1-162.6169.80110.1Q91 E92 Y97 G98 V104Q91-K95 VanDerWaalsContact O-CG 3.26Å; Q91-K95 WeakPolarHBondContact O-CG 3.29Å; Q91-K95 PolarHBondContact O-N 2.93Å; Q91-K95 VanDerWaalsContact O-N 3.11Å; E92-K95 PolarHBondContact O-N 2.99Å; E92-K95 IonicContact OE1-NZ 3.01Å; E92-K95 PolarHBondContact OE1-NZ 2.8Å; K95-Y97 PolarHBondContact O-N 2.89Å; K95-G98 PolarHBondContact O-N 3.31Å; K95-V104 HydrophobicContact CG-CG2 3.88Å
96A98Very high98.1Very high74 Ų7442.2 Ų42.261%0.61226%0.26SS*.Hα-helixtrans-67.5-18.2176.200000113.7E92 A93 I94E92-A96 WeakPolarHBondContact O-CB 3.37Å; E92-A96 PolarHBondContact O-N 3.03Å; A93-A96 PolarHBondContact O-N 3.16Å; I94-A96 VanDerWaalsContact C-N 3.35Å
97Y97.5Very high98Very high9 Ų943.6 Ų43.64%0.03527%0.268CS..Hα-helixtrans-82.4-16.6172.8-169.5-110.1000113I62 K66 A93 I94 K95 L126 T129 H133I62-Y97 HydrophobicContact CD1-CD1 4.4Å; I62-Y97 HydrophobicContact CD1-CD2 4.33Å; I62-Y97 HydrophobicContact CD1-CG 4.03Å; K66-Y97 HydrophobicContact CB-CD2 3.93Å; K66-Y97 HydrophobicContact CB-CE2 3.97Å; K66-Y97 HydrophobicContact CD-CD2 3.78Å; K66-Y97 HydrophobicContact CD-CE2 4.36Å; A93-Y97 WeakPolarHBondContact O-CB 3.35Å; A93-Y97 PolarHBondContact O-N 3.45Å; I94-Y97 WeakPolarHBondContact O-CB 3.48Å; I94-Y97 PolarHBondContact O-N 2.86Å; I94-Y97 VanDerWaalsContact O-N 3.15Å; K95-Y97 PolarHBondContact O-N 2.89Å; Y97-L126 HydrophobicContact CD1-CD1 3.7Å; Y97-L126 HydrophobicContact CE1-CD1 4.08Å; Y97-T129 HydrophobicContact CD1-CG2 3.82Å; Y97-T129 HydrophobicContact CE1-CG2 4.06Å; Y97-H133 AromaticContact CD1-NE2 3.85Å; Y97-H133 AromaticContact CE1-CD2 3.53Å; Y97-H133 AromaticContact CE1-NE2 3.59Å; Y97-H133 AromaticContact CE2-CD2 3.9Å; Y97-H133 AromaticContact CE2-NE2 3.74Å; Y97-H133 AromaticContact CZ-CD2 3.33Å; Y97-H133 AromaticContact CZ-NE2 3.53Å; Y97-H133 PolarHBondContact O-CE1 3.49Å; Y97-H133 PolarHBondContact O-NE2 3.43Å; Y97-H133 PolarHBondContact OH-CD2 3.44Å
98G96.5Very high97.9Very high46 Ų4646.1 Ų46.147%0.47428%0.284SS..THydrogen-bonded Turntrans11110.8178.200000114.9I94 K95I94-G98 PolarHBondContact O-N 3.25Å; I94-G98 VanDerWaalsContact O-N 3.16Å; K95-G98 PolarHBondContact O-N 3.31Å
99V97.6Very high97.9Very high4 Ų443.7 Ų43.72%0.02427%0.271CS..  trans-69.7126.7169.6179.60000108.7I94 T101 D103 V104 A125 L126 T129I94-V99 HydrophobicContact CB-CB 4.21Å; I94-V99 HydrophobicContact CB-CG2 3.91Å; I94-V99 HydrophobicContact CD1-CG1 4.4Å; I94-V99 HydrophobicContact CG1-CB 4.4Å; I94-V99 WeakPolarHBondContact O-CB 3.27Å; I94-V99 PolarHBondContact O-N 2.96Å; V99-T101 PolarHBondContact O-N 2.88Å; V99-D103 HydrophobicContact CG1-CB 4.19Å; V99-V104 HydrophobicContact CG1-CG2 4Å; V99-A125 HydrophobicContact CG1-CB 3.95Å; V99-L126 HydrophobicContact CG2-CB 4.03Å; V99-L126 HydrophobicContact CG2-CD1 3.77Å; V99-T129 HydrophobicContact CG2-CG2 4.32Å
100P96.2Very high97.9Very high67 Ų6742.2 Ų42.244%0.43526%0.259SS..  trans-57.5136.4178.3-24.934.5000111.5A102 D103P100-A102 PolarHBondContact O-N 2.98Å; P100-A102 VanDerWaalsContact O-N 3.1Å; P100-D103 PolarHBondContact O-N 3.24Å
101T97.5Very high97.8Very high100 Ų10044.1 Ų44.161%0.61327%0.267SS*.G310 helixtrans-58-30.3-178.6-54.70000112.8V99 D103 V104V99-T101 PolarHBondContact O-N 2.88Å; T101-D103 PolarHBondContact O-N 3.28Å; T101-V104 PolarHBondContact O-N 3.43Å
102A97Very high97.7Very high87 Ų8747.6 Ų47.672%0.71928%0.283SS*.G310 helixtrans-64.9-25.6176.400000113.8P100P100-A102 PolarHBondContact O-N 2.98Å; P100-A102 VanDerWaalsContact O-N 3.1Å
103D97.2Very high97.5Very high48 Ų4846 Ų4626%0.25728%0.275SS..G310 helixtrans-87.8-13.5177.2-68.9-36.3000112.2V99 P100 T101 F105 C122 A125V99-D103 HydrophobicContact CG1-CB 4.19Å; P100-D103 PolarHBondContact O-N 3.24Å; T101-D103 PolarHBondContact O-N 3.28Å; D103-F105 PolarHBondContact O-N 2.78Å; D103-C122 WeakPolarHBondContact O-CA 3.16Å; D103-C122 WeakPolarHBondContact O-CB 3.45Å; D103-A125 HydrophobicContact CB-CB 3.6Å
104V98.6Very high97.3Very high17 Ų1749.8 Ų49.810%0.10329%0.29CS..PPolyproline II helixtrans-78.9119.7-176.7-178.80000110.3Q91 I94 K95 V99 T101Q91-V104 HydrophobicContact CB-CG1 3.92Å; Q91-V104 HydrophobicContact CG-CG1 3.76Å; I94-V104 HydrophobicContact CD1-CG1 4.26Å; I94-V104 HydrophobicContact CD1-CG2 3.95Å; I94-V104 HydrophobicContact CG1-CG2 4.22Å; K95-V104 HydrophobicContact CG-CG2 3.88Å; V99-V104 HydrophobicContact CG1-CG2 4Å; T101-V104 PolarHBondContact O-N 3.43Å
105F98.5Very high97.2Very high4 Ų450.9 Ų50.92%0.01830%0.296CS..PPolyproline II helixtrans-66.3159176.572.3-90.8000112L58 I87 F90 Q91 D103 D109 L110 Q118 V119 C122L58-F105 HydrophobicContact CD1-CZ 4.11Å; I87-F105 HydrophobicContact CG2-CE2 3.64Å; I87-F105 HydrophobicContact CG2-CZ 3.94Å; F90-F105 HydrophobicContact CD1-CE1 4.19Å; F90-F105 HydrophobicContact CD1-CZ 4.33Å; F90-F105 AromaticContact CE1-CE1 3.87Å; F90-F105 HydrophobicContact CE1-CE1 3.87Å; F90-F105 HydrophobicContact CE1-CZ 4.43Å; Q91-F105 PolarHBondContact NE2-O 2.9Å; D103-F105 PolarHBondContact O-N 2.78Å; F105-D109 HydrophobicContact CB-CB 4.26Å; F105-D109 HydrophobicContact CD2-CB 4.25Å; F105-L110 HydrophobicContact CD2-CB 4.24Å; F105-L110 HydrophobicContact CE2-CB 3.7Å; F105-L110 HydrophobicContact CE2-CD2 4.09Å; F105-L110 HydrophobicContact CZ-CB 4.43Å; F105-L110 HydrophobicContact CZ-CD2 4.03Å; F105-Q118 HydrophobicContact CB-CB 4.39Å; F105-Q118 HydrophobicContact CB-CG 3.77Å; F105-V119 HydrophobicContact CB-CG2 4.19Å; F105-V119 HydrophobicContact CD1-CB 4.39Å; F105-V119 HydrophobicContact CD1-CG1 4.21Å; F105-V119 HydrophobicContact CD1-CG2 4.31Å; F105-V119 HydrophobicContact CD2-CG2 3.83Å; F105-V119 HydrophobicContact CE1-CG1 4.08Å; F105-V119 HydrophobicContact CE2-CG2 4.29Å; F105-V119 HydrophobicContact CG-CB 4.39Å; F105-V119 HydrophobicContact CG-CG2 3.87Å; F105-V119 HydrophobicContact CZ-CG1 4.37Å; F105-C122 HydrophobicContact CB-CB 4.49Å; F105-C122 HydrophobicContact CD1-CB 3.67Å
106Q98.1Very high97.2Very high135 Ų13548 Ų4863%0.63128%0.283SS*.PPolyproline II helixtrans-88.4152.3175.4-54.2-171.3-84.200111.3V108 D109Q106-V108 HydrophobicContact CB-CG2 4.15Å; Q106-V108 PolarHBondContact O-N 3.43Å; Q106-D109 WeakPolarHBondContact CB-OD2 3.41Å; Q106-D109 PolarHBondContact N-OD2 3.08Å; Q106-D109 VanDerWaalsContact O-CB 3.27Å; Q106-D109 WeakPolarHBondContact O-CB 3.41Å; Q106-D109 PolarHBondContact O-N 3.02Å
107T98.2Very high97.2Very high28 Ų2844.9 Ų44.917%0.17226%0.258CS..Hα-helixtrans-51.4-38.6-177.3-37.60000113.4M84 I87 N88 D109 F111M84-T107 HydrophobicContact CB-CG2 3.93Å; M84-T107 HydrophobicContact CG-CG2 3.78Å; I87-T107 HydrophobicContact CB-CG2 4.13Å; I87-T107 HydrophobicContact CD1-CG2 4.34Å; I87-T107 HydrophobicContact CG2-CG2 3.93Å; N88-T107 PolarHBondContact OD1-OG1 3.24Å; T107-D109 VanDerWaalsContact C-N 3.31Å; T107-D109 PolarHBondContact O-N 2.85Å; T107-F111 WeakPolarHBondContact O-CB 3.47Å; T107-F111 PolarHBondContact O-N 3.37Å
108V96.3Very high97.2Very high54 Ų5447 Ų4733%0.32727%0.268SS..Hα-helixtrans-68.8-25.6179.2-62.90000113.7Q106 L110 E112 K113 K114Q106-V108 HydrophobicContact CB-CG2 4.15Å; Q106-V108 PolarHBondContact O-N 3.43Å; V108-L110 VanDerWaalsContact C-N 3.26Å; V108-L110 PolarHBondContact O-N 3.2Å; V108-E112 CarbonylContact O-C 3.44Å; V108-E112 WeakPolarHBondContact O-CA 3.27Å; V108-E112 WeakPolarHBondContact O-CB 3.37Å; V108-E112 PolarHBondContact O-N 3.42Å; V108-K113 PolarHBondContact O-N 3.46Å; V108-K114 HydrophobicContact CB-CG 4.22Å; V108-K114 HydrophobicContact CG2-CG 4.36Å; V108-K114 PolarHBondContact O-N 3.12Å
109D98Very high97.3Very high14 Ų1444.8 Ų44.88%0.07525%0.245CC..Hα-helixtrans-62.4-39.4-179.8-62.5-24.5000110.6F105 Q106 T107 K113 K114 D115 I116 V119F105-D109 HydrophobicContact CB-CB 4.26Å; F105-D109 HydrophobicContact CD2-CB 4.25Å; Q106-D109 WeakPolarHBondContact CB-OD2 3.41Å; Q106-D109 PolarHBondContact N-OD2 3.08Å; Q106-D109 VanDerWaalsContact O-CB 3.27Å; Q106-D109 WeakPolarHBondContact O-CB 3.41Å; Q106-D109 PolarHBondContact O-N 3.02Å; T107-D109 VanDerWaalsContact C-N 3.31Å; T107-D109 PolarHBondContact O-N 2.85Å; D109-K113 CarbonylContact O-C 3.59Å; D109-K113 WeakPolarHBondContact O-CA 3.49Å; D109-K114 PolarHBondContact O-N 3.38Å; D109-K114 VanDerWaalsContact O-N 3.11Å; D109-D115 HydrophobicContact CB-CB 4.24Å; D109-D115 PolarHBondContact O-N 3.1Å; D109-I116 WeakPolarHBondContact O-CD1 3.34Å; D109-V119 HydrophobicContact CB-CG2 4.19Å
110L98.3Very high97.3Very high0 Ų044.8 Ų44.80%025%0.245CC..Hα-helixtrans-91-50.7174.8-178.155.3000112.5L52 L58 I87 F105 V108 E112 K113 I116 V119L52-L110 HydrophobicContact CB-CD1 4.08Å; L52-L110 HydrophobicContact CB-CD2 4.36Å; L58-L110 HydrophobicContact CD1-CD2 3.69Å; I87-L110 HydrophobicContact CD1-CB 4.31Å; I87-L110 HydrophobicContact CD1-CD2 3.99Å; I87-L110 HydrophobicContact CD1-CG 4.18Å; I87-L110 HydrophobicContact CG1-CD2 4.14Å; F105-L110 HydrophobicContact CD2-CB 4.24Å; F105-L110 HydrophobicContact CE2-CB 3.7Å; F105-L110 HydrophobicContact CE2-CD2 4.09Å; F105-L110 HydrophobicContact CZ-CB 4.43Å; F105-L110 HydrophobicContact CZ-CD2 4.03Å; V108-L110 VanDerWaalsContact C-N 3.26Å; V108-L110 PolarHBondContact O-N 3.2Å; L110-E112 PolarHBondContact O-N 2.9Å; L110-K113 PolarHBondContact O-N 3.27Å; L110-I116 HydrophobicContact CD1-CD1 4.41Å; L110-V119 HydrophobicContact CB-CG2 3.9Å; L110-V119 HydrophobicContact CD1-CG1 4.43Å; L110-V119 HydrophobicContact CD1-CG2 4.49Å
111F97.4Very high97.4Very high39 Ų3945.4 Ų45.417%0.17124%0.242CC..Hα-helixtrans-64.7-44-172.3179.8-107000112.9P80 I83 M84 I87 T107P80-F111 HydrophobicContact CB-CE1 4.42Å; P80-F111 HydrophobicContact CB-CE2 4.19Å; P80-F111 HydrophobicContact CB-CZ 3.6Å; P80-F111 HydrophobicContact CG-CZ 4.07Å; I83-F111 HydrophobicContact CB-CD2 4.17Å; I83-F111 HydrophobicContact CB-CE2 4.17Å; I83-F111 HydrophobicContact CD1-CE2 4.04Å; I83-F111 HydrophobicContact CG2-CD2 3.6Å; I83-F111 HydrophobicContact CG2-CE2 4.07Å; M84-F111 HydrophobicContact CE-CD1 3.32Å; M84-F111 HydrophobicContact CE-CE1 3.37Å; M84-F111 HydrophobicContact CE-CG 4.09Å; M84-F111 HydrophobicContact CE-CZ 4.16Å; M84-F111 HydrophobicContact CG-CG 4.39Å; I87-F111 HydrophobicContact CD1-CB 4.2Å; T107-F111 WeakPolarHBondContact O-CB 3.47Å; T107-F111 PolarHBondContact O-N 3.37Å
112E95.5Very high97.5Very high87 Ų8740.6 Ų40.641%0.40721%0.213SC..SBendtrans-100.84.3176.9-61.5-168.6-174.500113V108 L110 K114V108-E112 CarbonylContact O-C 3.44Å; V108-E112 WeakPolarHBondContact O-CA 3.27Å; V108-E112 WeakPolarHBondContact O-CB 3.37Å; V108-E112 PolarHBondContact O-N 3.42Å; L110-E112 PolarHBondContact O-N 2.9Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 HydrophobicContact CB-CG 4.04Å; E112-K114 PolarHBondContact O-N 2.93Å; E112-K114 WeakPolarHBondContact OE2-CE 2.96Å; E112-K114 IonicContact OE2-NZ 3.33Å
113K95.6Very high97.5Very high77 Ų7736.5 Ų36.534%0.33518%0.179SC..  trans5739.2-178.2-50.2178.8174.4-161.80113.6E49 E50 V108 D109 L110 I116E49-K113 HydrophobicContact CG-CD 3.75Å; E49-K113 HydrophobicContact CG-CG 4.15Å; E49-K113 IonicContact OE1-NZ 3.24Å; E49-K113 PolarHBondContact OE1-NZ 3.39Å; E50-K113 WeakPolarHBondContact OE1-CE 3.43Å; E50-K113 IonicContact OE1-NZ 2.96Å; E50-K113 PolarHBondContact OE1-NZ 3.49Å; V108-K113 PolarHBondContact O-N 3.46Å; D109-K113 CarbonylContact O-C 3.59Å; D109-K113 WeakPolarHBondContact O-CA 3.49Å; L110-K113 PolarHBondContact O-N 3.27Å; K113-I116 HydrophobicContact CB-CD1 4.08Å; K113-I116 HydrophobicContact CB-CG1 4.26Å; K113-I116 HydrophobicContact CG-CD1 4.27Å
114K94.4Very high97.6Very high86 Ų8635.8 Ų35.837%0.37417%0.173SC..SBendtrans-71.8-39.5-178.4-64.4-71.5176.7-175.80112.6Q4 V108 D109 E112Q4-K114 VanDerWaalsContact CD-NZ 3.3Å; V108-K114 HydrophobicContact CB-CG 4.22Å; V108-K114 HydrophobicContact CG2-CG 4.36Å; V108-K114 PolarHBondContact O-N 3.12Å; D109-K114 PolarHBondContact O-N 3.38Å; D109-K114 VanDerWaalsContact O-N 3.11Å; E112-K114 VanDerWaalsContact C-N 3.31Å; E112-K114 HydrophobicContact CB-CG 4.04Å; E112-K114 PolarHBondContact O-N 2.93Å; E112-K114 WeakPolarHBondContact OE2-CE 2.96Å; E112-K114 IonicContact OE2-NZ 3.33Å
115D96.4Very high97.5Very high24 Ų2435 Ų3513%0.12817%0.168CC..  trans-150.278.8-179.9-163.8-15.8000111.4L18 D109 A117 Q118 V119L18-D115 HydrophobicContact CD1-CB 4.37Å; L18-D115 WeakPolarHBondContact CD2-OD2 3.49Å; D109-D115 HydrophobicContact CB-CB 4.24Å; D109-D115 PolarHBondContact O-N 3.1Å; D115-A117 PolarHBondContact O-N 3.49Å; D115-A117 WeakPolarHBondContact OD1-CB 3.29Å; D115-A117 PolarHBondContact OD1-N 2.91Å; D115-Q118 HydrophobicContact CB-CB 4.08Å; D115-Q118 WeakPolarHBondContact O-CB 3.39Å; D115-Q118 PolarHBondContact O-N 3.18Å; D115-Q118 PolarHBondContact OD1-N 3.16Å; D115-Q118 VanDerWaalsContact OD1-N 3.12Å; D115-V119 PolarHBondContact O-N 3.31Å
116I97.9Very high97.5Very high8 Ų834.8 Ų34.84%0.04117%0.167CC..Hα-helixtrans-64.1-27.6178.4-59.5-57.1000111.9Y48 E49 D109 L110 K113 Q118 V119 T120Y48-I116 HydrophobicContact CD1-CG2 3.66Å; Y48-I116 HydrophobicContact CE1-CG2 3.72Å; E49-I116 HydrophobicContact CB-CD1 3.46Å; E49-I116 VanDerWaalsContact CB-CD1 3.46Å; E49-I116 HydrophobicContact CB-CG1 3.93Å; E49-I116 HydrophobicContact CB-CG2 4.23Å; E49-I116 HydrophobicContact CG-CD1 4.28Å; E49-I116 HydrophobicContact CG-CG1 4.45Å; D109-I116 WeakPolarHBondContact O-CD1 3.34Å; L110-I116 HydrophobicContact CD1-CD1 4.41Å; K113-I116 HydrophobicContact CB-CD1 4.08Å; K113-I116 HydrophobicContact CB-CG1 4.26Å; K113-I116 HydrophobicContact CG-CD1 4.27Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 3.16Å; I116-V119 WeakPolarHBondContact O-CB 3.48Å; I116-V119 PolarHBondContact O-N 2.88Å; I116-T120 PolarHBondContact O-N 2.76Å; I116-T120 VanDerWaalsContact O-N 3.08Å; I116-T120 PolarHBondContact O-OG1 2.9Å
117A97.8Very high97.4Very high9 Ų928.4 Ų28.47%0.07414%0.137CC..Hα-helixtrans-64.5-39176.400000111K21 R22 D115 V119 T120 Q121K21-A117 HydrophobicContact CB-CB 3.79Å; R22-A117 HydrophobicContact CG-CB 4.33Å; D115-A117 PolarHBondContact O-N 3.49Å; D115-A117 WeakPolarHBondContact OD1-CB 3.29Å; D115-A117 PolarHBondContact OD1-N 2.91Å; A117-V119 VanDerWaalsContact C-N 3.33Å; A117-V119 PolarHBondContact O-N 3.22Å; A117-T120 PolarHBondContact O-N 2.86Å; A117-Q121 WeakPolarHBondContact O-CG 3.23Å; A117-Q121 PolarHBondContact O-N 3.44Å
118Q98Very high97.3Very high53 Ų5330.2 Ų30.225%0.24814%0.141CC..Hα-helixtrans-63.3-36.8174-173.56410.100112.4F105 D115 I116 Q121 C122F105-Q118 HydrophobicContact CB-CB 4.39Å; F105-Q118 HydrophobicContact CB-CG 3.77Å; D115-Q118 HydrophobicContact CB-CB 4.08Å; D115-Q118 WeakPolarHBondContact O-CB 3.39Å; D115-Q118 PolarHBondContact O-N 3.18Å; D115-Q118 PolarHBondContact OD1-N 3.16Å; D115-Q118 VanDerWaalsContact OD1-N 3.12Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 3.16Å; Q118-Q121 PolarHBondContact O-N 3.33Å; Q118-C122 WeakPolarHBondContact O-CB 3.47Å; Q118-C122 PolarHBondContact O-N 3Å
119V98.7Very high97.2Very high0 Ų028.1 Ų28.10%013%0.128CC..Hα-helixtrans-62.2-45.4174.3-176.20000110.8L52 F105 D109 L110 D115 I116 A117 C122 L123L52-V119 HydrophobicContact CD1-CG1 4.43Å; F105-V119 HydrophobicContact CB-CG2 4.19Å; F105-V119 HydrophobicContact CD1-CB 4.39Å; F105-V119 HydrophobicContact CD1-CG1 4.21Å; F105-V119 HydrophobicContact CD1-CG2 4.31Å; F105-V119 HydrophobicContact CD2-CG2 3.83Å; F105-V119 HydrophobicContact CE1-CG1 4.08Å; F105-V119 HydrophobicContact CE2-CG2 4.29Å; F105-V119 HydrophobicContact CG-CB 4.39Å; F105-V119 HydrophobicContact CG-CG2 3.87Å; F105-V119 HydrophobicContact CZ-CG1 4.37Å; D109-V119 HydrophobicContact CB-CG2 4.19Å; L110-V119 HydrophobicContact CB-CG2 3.9Å; L110-V119 HydrophobicContact CD1-CG1 4.43Å; L110-V119 HydrophobicContact CD1-CG2 4.49Å; D115-V119 PolarHBondContact O-N 3.31Å; I116-V119 WeakPolarHBondContact O-CB 3.48Å; I116-V119 PolarHBondContact O-N 2.88Å; A117-V119 VanDerWaalsContact C-N 3.33Å; A117-V119 PolarHBondContact O-N 3.22Å; V119-C122 WeakPolarHBondContact O-CB 3.39Å; V119-C122 PolarHBondContact O-N 3.33Å; V119-L123 HydrophobicContact CG1-CD1 4.4Å; V119-L123 PolarHBondContact O-N 3.15Å; V119-L123 VanDerWaalsContact O-N 3.12Å
120T98.6Very high97.1Very high4 Ų427.4 Ų27.43%0.02513%0.125CC..Hα-helixtrans-60.7-47.3176.1-570000111.1Q26 E27 V30 Y48 I116 A117 C122 L123 Y124Q26-T120 HydrophobicContact CB-CG2 3.95Å; E27-T120 HydrophobicContact CG-CG2 4.41Å; V30-T120 HydrophobicContact CG2-CG2 4.01Å; Y48-T120 WeakPolarHBondContact CE1-OG1 3.35Å; Y48-T120 PolarHBondContact OH-OG1 3.48Å; Y48-T120 VanDerWaalsContact OH-OG1 3.09Å; I116-T120 PolarHBondContact O-N 2.76Å; I116-T120 VanDerWaalsContact O-N 3.08Å; I116-T120 PolarHBondContact O-OG1 2.9Å; A117-T120 PolarHBondContact O-N 2.86Å; T120-C122 VanDerWaalsContact C-N 3.34Å; T120-C122 PolarHBondContact O-N 3Å; T120-L123 PolarHBondContact O-N 3.35Å; T120-L123 VanDerWaalsContact O-N 3.1Å; T120-Y124 HydrophobicContact CG2-CD2 4.09Å; T120-Y124 HydrophobicContact CG2-CE2 4.03Å; T120-Y124 WeakPolarHBondContact O-CD2 3.39Å; T120-Y124 PolarHBondContact O-N 3.37Å
121Q97.8Very high96.8Very high79 Ų7929.3 Ų29.337%0.36913%0.133SC..Hα-helixtrans-63.8-37.9178.2-67.1-55.7-17.900113A117 Q118 L123 Y124 A125A117-Q121 WeakPolarHBondContact O-CG 3.23Å; A117-Q121 PolarHBondContact O-N 3.44Å; Q118-Q121 PolarHBondContact O-N 3.33Å; Q121-L123 VanDerWaalsContact C-N 3.28Å; Q121-L123 PolarHBondContact O-N 3.35Å; Q121-Y124 PolarHBondContact O-N 3.44Å; Q121-A125 WeakPolarHBondContact O-CB 3.39Å; Q121-A125 PolarHBondContact O-N 2.64Å
122C98.7Very high96.5Very high0 Ų031.2 Ų31.20%015%0.148CC..Hα-helixtrans-58.8-39.4172.7-1780000112.1I94 D103 F105 Q118 V119 T120 A125 L126I94-C122 WeakPolarHBondContact CD1-SG 3.34Å; D103-C122 WeakPolarHBondContact O-CA 3.16Å; D103-C122 WeakPolarHBondContact O-CB 3.45Å; F105-C122 HydrophobicContact CB-CB 4.49Å; F105-C122 HydrophobicContact CD1-CB 3.67Å; Q118-C122 WeakPolarHBondContact O-CB 3.47Å; Q118-C122 PolarHBondContact O-N 3Å; V119-C122 WeakPolarHBondContact O-CB 3.39Å; V119-C122 PolarHBondContact O-N 3.33Å; T120-C122 VanDerWaalsContact C-N 3.34Å; T120-C122 PolarHBondContact O-N 3Å; C122-A125 WeakPolarHBondContact O-CB 3.18Å; C122-A125 PolarHBondContact O-N 2.86Å; C122-L126 PolarHBondContact O-N 3.08Å
123L98.7Very high96.4Very high1 Ų129.3 Ų29.31%0.00514%0.139CC..Hα-helixtrans-72.6-36.1178.3-70.4168.9000112.1V30 I34 L52 L58 F90 V119 T120 Q121 A125 L126 G127 L141V30-L123 HydrophobicContact CG1-CB 4Å; V30-L123 HydrophobicContact CG1-CD1 3.44Å; V30-L123 VanDerWaalsContact CG1-CD1 3.44Å; V30-L123 HydrophobicContact CG1-CG 4.3Å; V30-L123 HydrophobicContact CG2-CB 4.16Å; I34-L123 HydrophobicContact CD1-CD1 4.5Å; L52-L123 HydrophobicContact CD1-CD1 3.87Å; L58-L123 HydrophobicContact CD2-CD1 4.14Å; L58-L123 HydrophobicContact CD2-CD2 3.93Å; F90-L123 HydrophobicContact CZ-CD2 3.89Å; V119-L123 HydrophobicContact CG1-CD1 4.4Å; V119-L123 PolarHBondContact O-N 3.15Å; V119-L123 VanDerWaalsContact O-N 3.12Å; T120-L123 PolarHBondContact O-N 3.35Å; T120-L123 VanDerWaalsContact O-N 3.1Å; Q121-L123 VanDerWaalsContact C-N 3.28Å; Q121-L123 PolarHBondContact O-N 3.35Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-L126 HydrophobicContact CD2-CD2 4.4Å; L123-L126 PolarHBondContact O-N 3.21Å; L123-G127 PolarHBondContact O-N 3.09Å; L123-L141 WeakPolarHBondContact O-CD2 3.45Å
124Y98.1Very high96.1Very high32 Ų3231.3 Ų31.313%0.12516%0.161CC..Hα-helixtrans-63.1-38167.4-88.4-88.1000112.4Q26 S29 V30 T120 Q121 G127 R128 L141Q26-Y124 WeakPolarHBondContact CA-OH 3.35Å; Q26-Y124 HydrophobicContact CB-CE2 3.79Å; Q26-Y124 HydrophobicContact CG-CE2 4.09Å; S29-Y124 WeakPolarHBondContact CB-OH 3.31Å; V30-Y124 HydrophobicContact CG2-CD2 3.93Å; V30-Y124 HydrophobicContact CG2-CE2 3.69Å; T120-Y124 HydrophobicContact CG2-CD2 4.09Å; T120-Y124 HydrophobicContact CG2-CE2 4.03Å; T120-Y124 WeakPolarHBondContact O-CD2 3.39Å; T120-Y124 PolarHBondContact O-N 3.37Å; Q121-Y124 PolarHBondContact O-N 3.44Å; Y124-G127 PolarHBondContact O-N 3.46Å; Y124-R128 WeakPolarHBondContact O-CB 3.35Å; Y124-R128 VanDerWaalsContact O-CG 3.26Å; Y124-R128 WeakPolarHBondContact O-CG 3.4Å; Y124-R128 PolarHBondContact O-N 3.02Å; Y124-R128 PolarHBondContact O-NE 3.27Å; Y124-L141 HydrophobicContact CD1-CD1 4.1Å; Y124-L141 HydrophobicContact CD1-CD2 4.31Å; Y124-L141 HydrophobicContact CD1-CG 3.75Å; Y124-L141 HydrophobicContact CD2-CD2 4.29Å; Y124-L141 HydrophobicContact CD2-CG 4.48Å; Y124-L141 HydrophobicContact CE1-CD1 3.6Å; Y124-L141 HydrophobicContact CE1-CG 3.8Å; Y124-L141 HydrophobicContact CE2-CD1 4.17Å; Y124-L141 HydrophobicContact CG-CD2 4.17Å; Y124-L141 HydrophobicContact CG-CG 4.12Å
125A97.2Very high95.9Very high1 Ų133.5 Ų33.51%0.00817%0.172CC..Hα-helixtrans-62.5-46.1173.300000110.9V99 D103 Q121 C122 L123 G127 R128 T129V99-A125 HydrophobicContact CG1-CB 3.95Å; D103-A125 HydrophobicContact CB-CB 3.6Å; Q121-A125 WeakPolarHBondContact O-CB 3.39Å; Q121-A125 PolarHBondContact O-N 2.64Å; C122-A125 WeakPolarHBondContact O-CB 3.18Å; C122-A125 PolarHBondContact O-N 2.86Å; L123-A125 VanDerWaalsContact C-N 3.33Å; A125-G127 PolarHBondContact O-N 3.11Å; A125-R128 PolarHBondContact O-N 3.34Å; A125-T129 WeakPolarHBondContact O-CB 3.5Å; A125-T129 PolarHBondContact O-N 3.46Å; A125-T129 PolarHBondContact O-OG1 2.91Å
126L97.8Very high95.7Very high0 Ų034.1 Ų34.10%017%0.173CC..Hα-helixtrans-57.9-46.6173.3179.761.8000112.2W33 V61 I62 L65 F90 I94 Y97 V99 C122 L123 R128 T129 C130W33-L126 HydrophobicContact CH2-CD2 3.91Å; W33-L126 HydrophobicContact CH2-CG 4Å; W33-L126 HydrophobicContact CZ3-CD2 4.31Å; V61-L126 HydrophobicContact CG1-CD2 4.33Å; I62-L126 HydrophobicContact CD1-CD1 4.28Å; L65-L126 HydrophobicContact CD1-CD1 4.19Å; L65-L126 HydrophobicContact CD1-CD2 4.08Å; L65-L126 HydrophobicContact CD1-CG 4.18Å; F90-L126 HydrophobicContact CE2-CD2 4.05Å; F90-L126 HydrophobicContact CZ-CD2 4.02Å; I94-L126 HydrophobicContact CB-CD1 4.29Å; I94-L126 HydrophobicContact CG2-CD1 3.87Å; I94-L126 HydrophobicContact CG2-CD2 3.95Å; I94-L126 HydrophobicContact CG2-CG 4.45Å; Y97-L126 HydrophobicContact CD1-CD1 3.7Å; Y97-L126 HydrophobicContact CE1-CD1 4.08Å; V99-L126 HydrophobicContact CG2-CB 4.03Å; V99-L126 HydrophobicContact CG2-CD1 3.77Å; C122-L126 PolarHBondContact O-N 3.08Å; L123-L126 HydrophobicContact CD2-CD2 4.4Å; L123-L126 PolarHBondContact O-N 3.21Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-R128 PolarHBondContact O-N 2.94Å; L126-T129 PolarHBondContact O-N 3.33Å; L126-C130 PolarHBondContact O-N 3.46Å; L126-C130 PolarHBondContact O-SG 3.18Å
127G96.8Very high95.4Very high0 Ų041 Ų410%021%0.21CC..Hα-helixtrans-61.4-36.5177.800000113.8L123 Y124 A125 Q131 L141L123-G127 PolarHBondContact O-N 3.09Å; Y124-G127 PolarHBondContact O-N 3.46Å; A125-G127 PolarHBondContact O-N 3.11Å; G127-Q131 PolarHBondContact O-NE2 3.41Å; G127-L141 CarbonylContact C-O 3.37Å
128R95Very high95.1Very high66 Ų6642 Ų4225%0.24922%0.221CC..Hα-helixtrans-70.4-43.4172.3-72.3-178-64.8152.63112.1Y124 A125 L126 C130 Q131 P143 L145Y124-R128 WeakPolarHBondContact O-CB 3.35Å; Y124-R128 VanDerWaalsContact O-CG 3.26Å; Y124-R128 WeakPolarHBondContact O-CG 3.4Å; Y124-R128 PolarHBondContact O-N 3.02Å; Y124-R128 PolarHBondContact O-NE 3.27Å; A125-R128 PolarHBondContact O-N 3.34Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-R128 PolarHBondContact O-N 2.94Å; R128-C130 VanDerWaalsContact C-N 3.29Å; R128-C130 PolarHBondContact O-N 3.12Å; R128-Q131 WeakPolarHBondContact O-CB 3.5Å; R128-Q131 PolarHBondContact O-N 3.3Å; R128-Q131 VanDerWaalsContact O-N 3.09Å; R128-P143 WeakPolarHBondContact CG-O 2.82Å; R128-L145 HydrophobicContact CB-CD2 4.31Å; R128-L145 HydrophobicContact CB-CG 4.16Å
129T95Very high95Very high10 Ų1041.9 Ų41.96%0.06123%0.225CC..Hα-helixtrans-61.1-37.4175.5-61.50000111.3Y97 V99 A125 L126 Q131 T132 H133Y97-T129 HydrophobicContact CD1-CG2 3.82Å; Y97-T129 HydrophobicContact CE1-CG2 4.06Å; V99-T129 HydrophobicContact CG2-CG2 4.32Å; A125-T129 WeakPolarHBondContact O-CB 3.5Å; A125-T129 PolarHBondContact O-N 3.46Å; A125-T129 PolarHBondContact O-OG1 2.91Å; L126-T129 PolarHBondContact O-N 3.33Å; T129-Q131 PolarHBondContact O-N 2.8Å; T129-T132 PolarHBondContact O-N 2.93Å; T129-T132 PolarHBondContact O-OG1 3.39Å; T129-H133 PolarHBondContact O-CD2 3.01Å
130C95.3Very high94.8Very high0 Ų046.2 Ų46.20%025%0.251CS..Hα-helixtrans-54.9-38.1174.3-65.40000112L65 L126 R128 T132 H133 Y136L65-C130 VanDerWaalsContact CD1-SG 3.57Å; L126-C130 PolarHBondContact O-N 3.46Å; L126-C130 PolarHBondContact O-SG 3.18Å; R128-C130 VanDerWaalsContact C-N 3.29Å; R128-C130 PolarHBondContact O-N 3.12Å; C130-T132 PolarHBondContact O-N 3.31Å; C130-H133 PolarHBondContact O-N 3.44Å; C130-Y136 HydrophobicContact CB-CD1 3.68Å; C130-Y136 HydrophobicContact CB-CD2 4.1Å; C130-Y136 HydrophobicContact CB-CE1 3.61Å; C130-Y136 HydrophobicContact CB-CE2 4.06Å; C130-Y136 HydrophobicContact CB-CG 3.91Å; C130-Y136 WeakPolarHBondContact O-CB 3.34Å; C130-Y136 WeakPolarHBondContact O-CD1 3.31Å
131Q93Very high94.6Very high39 Ų3946.3 Ų46.318%0.18225%0.251CS..THydrogen-bonded Turntrans-73.4-8.1-179.4-60.4173.365.200114G127 R128 T129 T140 G142 K144G127-Q131 PolarHBondContact O-NE2 3.41Å; R128-Q131 WeakPolarHBondContact O-CB 3.5Å; R128-Q131 PolarHBondContact O-N 3.3Å; R128-Q131 VanDerWaalsContact O-N 3.09Å; T129-Q131 PolarHBondContact O-N 2.8Å; Q131-T140 HydrophobicContact CG-CG2 3.84Å; Q131-G142 PolarHBondContact NE2-O 3.3Å; Q131-K144 HydrophobicContact CB-CG 4.49Å; Q131-K144 VanDerWaalsContact OE1-CA 3.31Å; Q131-K144 VanDerWaalsContact OE1-CB 3.31Å
132T90.9Very high94.1Very high79 Ų7944 Ų4449%0.48525%0.249SC..THydrogen-bonded Turntrans-88.7-15.4172.666.60000112.8T129 C130 P134 L145T129-T132 PolarHBondContact O-N 2.93Å; T129-T132 PolarHBondContact O-OG1 3.39Å; C130-T132 PolarHBondContact O-N 3.31Å; T132-P134 WeakPolarHBondContact O-CD 3.42Å; T132-L145 HydrophobicContact CG2-CD1 3.69Å
133H91.8Very high93.4Very high47 Ų4748.8 Ų48.822%0.21828%0.28CS..SBendtrans-86.2115.8178.2-70.7-77000109.6Y97 T129 C130 E135 Y136Y97-H133 AromaticContact CD1-NE2 3.85Å; Y97-H133 AromaticContact CE1-CD2 3.53Å; Y97-H133 AromaticContact CE1-NE2 3.59Å; Y97-H133 AromaticContact CE2-CD2 3.9Å; Y97-H133 AromaticContact CE2-NE2 3.74Å; Y97-H133 AromaticContact CZ-CD2 3.33Å; Y97-H133 AromaticContact CZ-NE2 3.53Å; Y97-H133 PolarHBondContact O-CE1 3.49Å; Y97-H133 PolarHBondContact O-NE2 3.43Å; Y97-H133 PolarHBondContact OH-CD2 3.44Å; T129-H133 PolarHBondContact O-CD2 3.01Å; C130-H133 PolarHBondContact O-N 3.44Å; H133-E135 IonicContact ND1-OE1 3.54Å; H133-E135 PolarHBondContact O-N 3.26Å; H133-Y136 VanDerWaalsContact O-CB 3.31Å; H133-Y136 WeakPolarHBondContact O-CB 3.24Å; H133-Y136 PolarHBondContact O-N 3.11Å
134P90Very high92.5Very high120 Ų12054.9 Ų54.978%0.77931%0.307SS*.THydrogen-bonded Turntrans-60-27.7-174.3-2534.7000114.8T132 Y136T132-P134 WeakPolarHBondContact O-CD 3.42Å; P134-Y136 VanDerWaalsContact C-N 3.25Å; P134-Y136 PolarHBondContact O-N 2.9Å
135E90.5Very high91.4Very high131 Ų13157.1 Ų57.161%0.61232%0.32SS*.THydrogen-bonded Turntrans-75-14.5177.871.6-83.7-160.300113.4H133 N137H133-E135 IonicContact ND1-OE1 3.54Å; H133-E135 PolarHBondContact O-N 3.26Å; E135-N137 PolarHBondContact O-N 3.14Å; E135-N137 PolarHBondContact O-ND2 2.96Å
136Y93.1Very high90.5Very high37 Ų3762 Ų6215%0.14536%0.361CS..  trans-79.8109.1-174.5-172.4-102.9000111.9L65 C130 H133 P134 G138 P139L65-Y136 HydrophobicContact CD2-CD2 4.18Å; L65-Y136 HydrophobicContact CD2-CE2 3.36Å; C130-Y136 HydrophobicContact CB-CD1 3.68Å; C130-Y136 HydrophobicContact CB-CD2 4.1Å; C130-Y136 HydrophobicContact CB-CE1 3.61Å; C130-Y136 HydrophobicContact CB-CE2 4.06Å; C130-Y136 HydrophobicContact CB-CG 3.91Å; C130-Y136 WeakPolarHBondContact O-CB 3.34Å; C130-Y136 WeakPolarHBondContact O-CD1 3.31Å; H133-Y136 VanDerWaalsContact O-CB 3.31Å; H133-Y136 WeakPolarHBondContact O-CB 3.24Å; H133-Y136 PolarHBondContact O-N 3.11Å; P134-Y136 VanDerWaalsContact C-N 3.25Å; P134-Y136 PolarHBondContact O-N 2.9Å; Y136-G138 WeakPolarHBondContact CE1-O 3.41Å; Y136-G138 VanDerWaalsContact CZ-CA 3.5Å; Y136-P139 WeakPolarHBondContact CE1-O 3.46Å; Y136-P139 PolarHBondContact OH-O 3.26Å
137N90.6Very high89.4Confident154 Ų15469.5 Ų69.582%0.82440%0.395SS*.  trans-115.722.1174.7-64.4-59000112.4E135E135-N137 PolarHBondContact O-N 3.14Å; E135-N137 PolarHBondContact O-ND2 2.96Å
138G92.5Very high88.7Confident30 Ų3076.9 Ų76.931%0.30943%0.43SS..SBendtrans-87.8-178-176.900000114Y136Y136-G138 WeakPolarHBondContact CE1-O 3.41Å; Y136-G138 VanDerWaalsContact CZ-CA 3.5Å
139P95Very high88.1Confident50 Ų5079.4 Ų79.433%0.32545%0.449SS..  trans-55.9141.4175-22.433000111.9W33 A36 V37 Y136W33-P139 PolarHBondContact NE1-O 2.66Å; A36-P139 HydrophobicContact CB-CB 3.75Å; A36-P139 HydrophobicContact CB-CG 3.47Å; A36-P139 VanDerWaalsContact CB-CG 3.47Å; V37-P139 HydrophobicContact CG2-CG 4.4Å; Y136-P139 WeakPolarHBondContact CE1-O 3.46Å; Y136-P139 PolarHBondContact OH-O 3.26Å
140T94.2Very high87.5Confident90 Ų9085.7 Ų85.755%0.55248%0.475SS*.  trans-102.3149.5179.856.20000111.3Q131Q131-T140 HydrophobicContact CG-CG2 3.84Å
141L95.6Very high87Confident6 Ų694.7 Ų94.73%0.03151%0.509CS..  trans-127.4124.9171.4175.369.9000109.3V30 W33 L123 Y124 G127V30-L141 HydrophobicContact CG2-CD1 4.45Å; V30-L141 HydrophobicContact CG2-CD2 3.86Å; W33-L141 HydrophobicContact CB-CB 4.06Å; W33-L141 HydrophobicContact CB-CD1 4.18Å; W33-L141 HydrophobicContact CB-CD2 4.4Å; W33-L141 HydrophobicContact CB-CG 4.44Å; W33-L141 HydrophobicContact CD2-CB 3.84Å; W33-L141 HydrophobicContact CD2-CD2 4.06Å; W33-L141 HydrophobicContact CE3-CD2 3.93Å; W33-L141 HydrophobicContact CG-CB 3.58Å; W33-L141 HydrophobicContact CG-CD2 4.27Å; W33-L141 HydrophobicContact CG-CG 4.35Å; L123-L141 WeakPolarHBondContact O-CD2 3.45Å; Y124-L141 HydrophobicContact CD1-CD1 4.1Å; Y124-L141 HydrophobicContact CD1-CD2 4.31Å; Y124-L141 HydrophobicContact CD1-CG 3.75Å; Y124-L141 HydrophobicContact CD2-CD2 4.29Å; Y124-L141 HydrophobicContact CD2-CG 4.48Å; Y124-L141 HydrophobicContact CE1-CD1 3.6Å; Y124-L141 HydrophobicContact CE1-CG 3.8Å; Y124-L141 HydrophobicContact CE2-CD1 4.17Å; Y124-L141 HydrophobicContact CG-CD2 4.17Å; Y124-L141 HydrophobicContact CG-CG 4.12Å; G127-L141 CarbonylContact C-O 3.37Å
142G87.1Confident86.7Confident30 Ų30101.4 Ų101.431%0.30954%0.541SS..SBendtrans73.3175.9-177.200000114.4Q131Q131-G142 PolarHBondContact NE2-O 3.3Å
143P84.2Confident86.6Confident101 Ų101103.5 Ų103.566%0.65654%0.543SS*.PPolyproline II helixtrans-68.7146-178.229.3-34.9000111.3R128R128-P143 WeakPolarHBondContact CG-O 2.82Å
144K78.1Confident86.5Confident130 Ų130105 Ų10557%0.56556%0.556SS**PPolyproline II helixtrans-60.1139.8172.3-169.8177.4179.1178.20110.3Q131 A146Q131-K144 HydrophobicContact CB-CG 4.49Å; Q131-K144 VanDerWaalsContact OE1-CA 3.31Å; Q131-K144 VanDerWaalsContact OE1-CB 3.31Å; K144-A146 PolarHBondContact O-N 3.34Å
145L76.7Confident86.6Confident79 Ų79105.8 Ų105.841%0.41455%0.553SS.*PPolyproline II helixtrans-60.7134.6172.3-66.8177.3000110R128 T132 Q147R128-L145 HydrophobicContact CB-CD2 4.31Å; R128-L145 HydrophobicContact CB-CG 4.16Å; T132-L145 HydrophobicContact CG2-CD1 3.69Å; L145-Q147 PolarHBondContact O-N 2.91Å
146A77.2Confident86.5Confident104 Ų104105.5 Ų105.586%0.8655%0.552SS**PPolyproline II helixtrans-61.9133.9177.800000109.8K144K144-A146 PolarHBondContact O-N 3.34Å
147Q75Confident86.3Confident156 Ų156108.7 Ų108.773%0.72957%0.568SS**PPolyproline II helixtrans-82.6132.4170.7-69.8-178.7-12.600108.6L145 N149L145-Q147 PolarHBondContact O-N 2.91Å; Q147-N149 PolarHBondContact O-N 3.16Å
148E81.6Confident86.2Confident155 Ų155106 Ų10672%0.72455%0.553SS**  trans-61.6112.5174.5-172.1-173-173.400108.9K150E148-K150 HydrophobicContact CG-CG 3.92Å; E148-K150 PolarHBondContact O-N 3.39Å; E148-K150 WeakPolarHBondContact OE1-CE 3.38Å; E148-K150 WeakPolarHBondContact OE1-CG 3.01Å; E148-K150 WeakPolarHBondContact OE2-CE 3.38Å
149N81.9Confident86Confident120 Ų120112 Ų11264%0.64257%0.566SS**  trans-9583.8172-17510.2000108.1Q147 R151Q147-N149 PolarHBondContact O-N 3.16Å; N149-R151 PolarHBondContact O-N 2.91Å
150K83.4Confident85.5Confident142 Ų142114.5 Ų114.562%0.61757%0.574SS**  trans-64.1102.5170.8-70.6-171.6-178.6178.60107.9E148 E152E148-K150 HydrophobicContact CG-CG 3.92Å; E148-K150 PolarHBondContact O-N 3.39Å; E148-K150 WeakPolarHBondContact OE1-CE 3.38Å; E148-K150 WeakPolarHBondContact OE1-CG 3.01Å; E148-K150 WeakPolarHBondContact OE2-CE 3.38Å; K150-E152 PolarHBondContact O-N 3.42Å
151R83.6Confident85Confident188 Ų188112.2 Ų112.271%0.70957%0.569SS**  trans-78.3112.5173.8-69.8171.9175.3-178.8-3.6107.4N149 F153N149-R151 PolarHBondContact O-N 2.91Å; R151-F153 HydrophobicContact CB-CE2 4.39Å; R151-F153 HydrophobicContact CB-CZ 4.46Å
152E86.9Confident84.4Confident181 Ų181116 Ų11685%0.84660%0.601SS**PPolyproline II helixtrans-88.2132.5170.2-63.2-175.6167.100108.1K150K150-E152 PolarHBondContact O-N 3.42Å
153F88.7Confident83.9Confident123 Ų123120 Ų12054%0.53962%0.615SS.*PPolyproline II helixtrans-102.3143.7174-64-82.5000108R151 Q157 L158R151-F153 HydrophobicContact CB-CE2 4.39Å; R151-F153 HydrophobicContact CB-CZ 4.46Å; F153-Q157 HydrophobicContact CB-CB 4.28Å; F153-L158 HydrophobicContact CB-CD2 3.93Å; F153-L158 HydrophobicContact CB-CG 4.01Å
154T91.2Very high83.5Confident78 Ų78120.3 Ų120.348%0.47962%0.615SS.*PPolyproline II helixtrans-66.8152.6173.768.10000109.9E156 Q157 L158T154-E156 PolarHBondContact O-N 3.45Å; T154-E156 VanDerWaalsContact O-N 3.17Å; T154-Q157 WeakPolarHBondContact O-CA 3.12Å; T154-Q157 WeakPolarHBondContact O-CB 3.28Å; T154-Q157 PolarHBondContact O-N 3.04Å; T154-Q157 VanDerWaalsContact OG1-CG 3.28Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.47Å; T154-Q157 PolarHBondContact OG1-N 2.96Å; T154-Q157 VanDerWaalsContact OG1-N 3.16Å; T154-L158 PolarHBondContact O-N 3.12Å
155D90.5Very high83.2Confident136 Ų136120 Ų12073%0.72762%0.618SS**Hα-helixtrans-56.3-33.8175.9-70.1-33.9000112L158 R159D155-L158 PolarHBondContact O-N 2.74Å; D155-R159 WeakPolarHBondContact O-CB 3.41Å; D155-R159 PolarHBondContact O-N 2.85Å
156E89.7Confident83Confident125 Ų125118.7 Ų118.758%0.58462%0.615SS**Hα-helixtrans-64.4-44.5174-173.1170.3-151.200111.9T154 L158 R159 E160T154-E156 PolarHBondContact O-N 3.45Å; T154-E156 VanDerWaalsContact O-N 3.17Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.92Å; E156-R159 PolarHBondContact O-N 2.93Å; E156-R159 IonicContact OE1-NH2 3Å; E156-E160 WeakPolarHBondContact O-CG 3.38Å; E156-E160 PolarHBondContact O-N 3.41Å
157Q88.9Confident82.9Confident105 Ų105120.8 Ų120.849%0.49161%0.611SS.*Hα-helixtrans-62.6-40.6174.3-74.6173.4-34.600111.9F153 T154 R159 E160 G161F153-Q157 HydrophobicContact CB-CB 4.28Å; T154-Q157 WeakPolarHBondContact O-CA 3.12Å; T154-Q157 WeakPolarHBondContact O-CB 3.28Å; T154-Q157 PolarHBondContact O-N 3.04Å; T154-Q157 VanDerWaalsContact OG1-CG 3.28Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.47Å; T154-Q157 PolarHBondContact OG1-N 2.96Å; T154-Q157 VanDerWaalsContact OG1-N 3.16Å; Q157-R159 VanDerWaalsContact C-N 3.33Å; Q157-E160 PolarHBondContact O-N 3.4Å; Q157-G161 PolarHBondContact O-N 2.92Å
158L88.1Confident82.9Confident98 Ų98122.1 Ų122.151%0.51362%0.618SS.*Hα-helixtrans-63.2-40.9176.1-68.1174.4000111.3F153 T154 D155 E156 G161 A162F153-L158 HydrophobicContact CB-CD2 3.93Å; F153-L158 HydrophobicContact CB-CG 4.01Å; T154-L158 PolarHBondContact O-N 3.12Å; D155-L158 PolarHBondContact O-N 2.74Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.92Å; L158-G161 PolarHBondContact O-N 2.97Å; L158-A162 PolarHBondContact O-N 2.94Å
159R87.7Confident82.4Confident154 Ų154124.3 Ų124.358%0.58162%0.621SS**Hα-helixtrans-67.7-43.5176.8-175.4176.859.3139.52112.5D155 E156 Q157 G161 A162D155-R159 WeakPolarHBondContact O-CB 3.41Å; D155-R159 PolarHBondContact O-N 2.85Å; E156-R159 PolarHBondContact O-N 2.93Å; E156-R159 IonicContact OE1-NH2 3Å; Q157-R159 VanDerWaalsContact C-N 3.33Å; R159-G161 PolarHBondContact O-N 3.29Å; R159-A162 WeakPolarHBondContact O-CB 2.96Å; R159-A162 PolarHBondContact O-N 3.14Å; R159-A162 VanDerWaalsContact O-N 3.11Å
160E84.7Confident81.8Confident103 Ų103120.6 Ų120.648%0.48161%0.61SS.*Hα-helixtrans-62-36.7173.6-72.2-55.2121.600111.3E156 Q157 A162 N163E156-E160 WeakPolarHBondContact O-CG 3.38Å; E156-E160 PolarHBondContact O-N 3.41Å; Q157-E160 PolarHBondContact O-N 3.4Å; E160-A162 VanDerWaalsContact C-N 3.27Å; E160-A162 PolarHBondContact O-N 3.26Å; E160-N163 PolarHBondContact O-N 2.88Å
161G83.9Confident81.1Confident43 Ų43117.6 Ų117.644%0.44360%0.604SS.*Hα-helixtrans-60.2-33.3172.900000113.7Q157 L158 R159 N163 V164Q157-G161 PolarHBondContact O-N 2.92Å; L158-G161 PolarHBondContact O-N 2.97Å; R159-G161 PolarHBondContact O-N 3.29Å; G161-N163 VanDerWaalsContact C-N 3.27Å; G161-N163 PolarHBondContact O-N 3.17Å; G161-V164 WeakPolarHBondContact O-CB 3.4Å; G161-V164 PolarHBondContact O-N 3.34Å
162A82.4Confident80.2Confident85 Ų85115 Ų11570%0.70260%0.604SS**Hα-helixtrans-69.5-23.5177.900000113.3L158 R159 E160 V164L158-A162 PolarHBondContact O-N 2.94Å; R159-A162 WeakPolarHBondContact O-CB 2.96Å; R159-A162 PolarHBondContact O-N 3.14Å; R159-A162 VanDerWaalsContact O-N 3.11Å; E160-A162 VanDerWaalsContact C-N 3.27Å; E160-A162 PolarHBondContact O-N 3.26Å; A162-V164 VanDerWaalsContact C-N 3.31Å
163N78.6Confident79.2Confident113 Ų113115.7 Ų115.760%0.60461%0.605SS**THydrogen-bonded Turntrans-83.4-8.2175.4-64.4-33.2000112.7E160 G161 I165E160-N163 PolarHBondContact O-N 2.88Å; G161-N163 VanDerWaalsContact C-N 3.27Å; G161-N163 PolarHBondContact O-N 3.17Å; N163-I165 PolarHBondContact O-N 3.15Å
164V75.6Confident78Confident109 Ų109113.2 Ų113.266%0.66161%0.614SS**  trans-76.5105.1178.5-177.90000109.6G161 A162 S166G161-V164 WeakPolarHBondContact O-CB 3.4Å; G161-V164 PolarHBondContact O-N 3.34Å; A162-V164 VanDerWaalsContact C-N 3.31Å; V164-S166 PolarHBondContact O-N 2.99Å
165I71.4Confident76.6Confident124 Ų124113.3 Ų113.364%0.63662%0.622SS**  trans-65.5121.3172.3-60.6169.3000108.2N163N163-I165 PolarHBondContact O-N 3.15Å
166S73Confident75.4Confident50 Ų50111.1 Ų111.135%0.3562%0.618SS.*  trans-63.4144.9178.886.90000110.1V164 Q168 Y169V164-S166 PolarHBondContact O-N 2.99Å; S166-Q168 PolarHBondContact O-N 3.33Å; S166-Y169 PolarHBondContact O-N 2.58Å; S166-Y169 WeakPolarHBondContact OG-CD2 3.44Å
167L74.6Confident74.1Confident148 Ų148111.6 Ų111.678%0.77562%0.62SS**G310 helixtrans-54.5-21179-89.6147.7000113.5Y169 G170L167-Y169 VanDerWaalsContact C-N 3.35Å; L167-G170 PolarHBondContact O-N 3.14Å
168Q74.4Confident73Confident185 Ų185110.7 Ų110.786%0.86463%0.63SS**G310 helixtrans-71-28176.2-64.1-179.9-13.500112.9S166 G170S166-Q168 PolarHBondContact O-N 3.33Å; Q168-G170 PolarHBondContact O-N 3.4Å
169Y72.3Confident71.8Confident201 Ų201109.6 Ų109.679%0.78864%0.643SS**G310 helixtrans-83.43.5173.8-69.6-77.8000113.1S166 L167S166-Y169 PolarHBondContact O-N 2.58Å; S166-Y169 WeakPolarHBondContact OG-CD2 3.44Å; L167-Y169 VanDerWaalsContact C-N 3.35Å
170G68.1Low70.7Confident41 Ų41108.1 Ų108.142%0.42364%0.644SS.*  trans106.4161.7-17800000112.5L167 Q168L167-G170 PolarHBondContact O-N 3.14Å; Q168-G170 PolarHBondContact O-N 3.4Å
171T68.1Low69.9Low80 Ų80108.8 Ų108.849%0.49166%0.655SS.*  trans-119.1126.7178.9177.30000109.6K173T171-K173 VanDerWaalsContact C-N 3.28Å; T171-K173 WeakPolarHBondContact OG1-CB 3.19Å; T171-K173 PolarHBondContact OG1-N 3.21Å
172N66.2Low69.4Low133 Ų133114 Ų11471%0.71167%0.67SS**G310 helixtrans-82.1-7.9169.462.3-18.1000112.2G174 A175N172-G174 PolarHBondContact O-N 3.46Å; N172-G174 VanDerWaalsContact O-N 3.12Å; N172-A175 PolarHBondContact O-N 2.79Å
173K64.3Low68.7Low196 Ų196113.2 Ų113.285%0.85267%0.67SS**G310 helixtrans-65.8-14.2179.6-66.7-168.5176.2-176.90113.9T171T171-K173 VanDerWaalsContact C-N 3.28Å; T171-K173 WeakPolarHBondContact OG1-CB 3.19Å; T171-K173 PolarHBondContact OG1-N 3.21Å
174G64.2Low68.2Low71 Ų71117 Ų11773%0.73268%0.681SS**G310 helixtrans-98.5-1517200000114.5N172 S176N172-G174 PolarHBondContact O-N 3.46Å; N172-G174 VanDerWaalsContact O-N 3.12Å; G174-S176 PolarHBondContact O-N 3.47Å
175A62.5Low67.7Low80 Ų80121 Ų12166%0.66169%0.692SS**  trans-96.978.9-178.900000109.5N172N172-A175 PolarHBondContact O-N 2.79Å
176S64.9Low67.1Low90 Ų90126 Ų12663%0.62970%0.703SS**  trans-86125.1171.5137.80000109.3G174 A178G174-S176 PolarHBondContact O-N 3.47Å; S176-A178 PolarHBondContact O-N 3.23Å; S176-A178 WeakPolarHBondContact OG-CB 3.43Å; S176-A178 PolarHBondContact OG-N 3.36Å; S176-A178 VanDerWaalsContact OG-N 3.11Å
177Q63.2Low66.7Low135 Ų135131.4 Ų131.463%0.63173%0.725SS**  trans-742.7171.9-130.5-178.399.800112.7G179 M180Q177-G179 PolarHBondContact O-N 3.05Å; Q177-M180 HydrophobicContact CB-SD 4.43Å; Q177-M180 HydrophobicContact CG-CB 4.16Å; Q177-M180 HydrophobicContact CG-CE 4.13Å; Q177-M180 HydrophobicContact CG-CG 4.13Å; Q177-M180 HydrophobicContact CG-SD 3.33Å; Q177-M180 WeakPolarHBondContact CG-SD 3.42Å; Q177-M180 WeakPolarHBondContact O-CB 3.4Å; Q177-M180 PolarHBondContact O-N 3.46Å; Q177-M180 VanDerWaalsContact O-N 3.09Å
178A64.8Low66.5Low86 Ų86131 Ų13171%0.71172%0.722SS**THydrogen-bonded Turntrans-59.9123.817900000110.3S176S176-A178 PolarHBondContact O-N 3.23Å; S176-A178 WeakPolarHBondContact OG-CB 3.43Å; S176-A178 PolarHBondContact OG-N 3.36Å; S176-A178 VanDerWaalsContact OG-N 3.11Å
179G62.6Low65.6Low75 Ų75129.5 Ų129.577%0.77372%0.719SS**THydrogen-bonded Turntrans93-6.3-178.400000115.3Q177 T181Q177-G179 PolarHBondContact O-N 3.05Å; G179-T181 PolarHBondContact O-N 3.24Å
180M65.4Low65Low122 Ų122130.2 Ų130.260%0.60174%0.736SS**  trans-7198172.1-75.2-176.454.800110.4Q177 M182Q177-M180 HydrophobicContact CB-SD 4.43Å; Q177-M180 HydrophobicContact CG-CB 4.16Å; Q177-M180 HydrophobicContact CG-CE 4.13Å; Q177-M180 HydrophobicContact CG-CG 4.13Å; Q177-M180 HydrophobicContact CG-SD 3.33Å; Q177-M180 WeakPolarHBondContact CG-SD 3.42Å; Q177-M180 WeakPolarHBondContact O-CB 3.4Å; Q177-M180 PolarHBondContact O-N 3.46Å; Q177-M180 VanDerWaalsContact O-N 3.09Å; M180-M182 PolarHBondContact O-N 3.41Å
181T68.4Low64.9Low117 Ų117134.7 Ų134.772%0.71875%0.752SS**  trans-88.3101.2169.9-56.30000108.4G179 G183G179-T181 PolarHBondContact O-N 3.24Å; T181-G183 PolarHBondContact O-N 3.33Å; T181-G183 VanDerWaalsContact O-N 3.15Å
182M71.7Confident64.7Low154 Ų154137.5 Ų137.576%0.75977%0.766SS**  trans-74.7101.9175.1-62.8-144.2-144.300110M180M180-M182 PolarHBondContact O-N 3.41Å
183G68.9Low64.6Low67 Ų67137.8 Ų137.869%0.69177%0.769SS**  trans74.4100.4166.400000114.9T181 Q185T181-G183 PolarHBondContact O-N 3.33Å; T181-G183 VanDerWaalsContact O-N 3.15Å; G183-Q185 PolarHBondContact O-N 3.43Å
184K66.8Low64.6Low192 Ų192134.4 Ų134.484%0.83576%0.764SS**PPolyproline II helixtrans-67.7125.2155.9-75-174.8176.3-178.20107.9R186K184-R186 PolarHBondContact O-N 2.92Å
185Q65.2Low64.7Low194 Ų194138.3 Ų138.391%0.90777%0.766SS**PPolyproline II helixtrans-58.5123.6171.1-157.2171.9-1700108.1G183 M187G183-Q185 PolarHBondContact O-N 3.43Å; Q185-M187 PolarHBondContact O-N 3.05Å
186R60Low64.8Low228 Ų228142.2 Ų142.286%0.8677%0.773SS**PPolyproline II helixtrans-62.9133.9-179.8-75.5-178.1166.4-123.7-0.1109.2K184 I188K184-R186 PolarHBondContact O-N 2.92Å; R186-I188 PolarHBondContact O-N 3.2Å; R186-I188 VanDerWaalsContact O-N 3.07Å
187M63.4Low64.8Low165 Ų165145.9 Ų145.981%0.81378%0.783SS**  trans-69.6100.5169.3-135.5-167.8-63.300106.8Q185 L189Q185-M187 PolarHBondContact O-N 3.05Å; M187-L189 HydrophobicContact CG-CD1 4.38Å; M187-L189 HydrophobicContact CG-CG 4.42Å; M187-L189 HydrophobicContact SD-CD1 3.65Å; M187-L189 HydrophobicContact SD-CG 4.26Å
188I72Confident64.9Low139 Ų139146.8 Ų146.871%0.71380%0.795SS**  trans-89.6106.5166.6-57.3-176.8000104.9R186 D190R186-I188 PolarHBondContact O-N 3.2Å; R186-I188 VanDerWaalsContact O-N 3.07Å; I188-D190 WeakPolarHBondContact CG2-OD1 3.48Å
189L54.7Low64.9Low153 Ų153151.8 Ų151.880%0.80180%0.802SS**  trans-107.894.6170.7-80161000106.2M187M187-L189 HydrophobicContact CG-CD1 4.38Å; M187-L189 HydrophobicContact CG-CG 4.42Å; M187-L189 HydrophobicContact SD-CD1 3.65Å; M187-L189 HydrophobicContact SD-CG 4.26Å
190D60.1Low65.1Low216 Ų216158.8 Ų158.8100%1.15581%0.805SS**  trans-145.9015767.3-44.3000110.4I188I188-D190 WeakPolarHBondContact CG2-OD1 3.48Å

Retrieved 190 of 190 residues in 39.8 ms (Link to these results)

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