A0A077Z3B8_TRITR Loading...

Pinin:SDK:memA: protein region

AlphaFold DB , UniProt , Accession A0A077Z3B8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 618 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
1M74.6Confident86Confident106 Ų10690.1 Ų90.152%0.52254%0.541SS..  0-770-67.5-98.8-87.500112.6T3 E4 L5 L481M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.46Å; M1-E4 VanDerWaalsContact CA-OE2 3.32Å; M1-E4 WeakPolarHBondContact CA-OE2 3.26Å; M1-E4 PolarHBondContact N-OE2 2.92Å; M1-E4 PolarHBondContact O-N 3.31Å; M1-L5 WeakPolarHBondContact O-CB 3.46Å; M1-L5 WeakPolarHBondContact O-CG 3.31Å; M1-L5 PolarHBondContact O-N 2.91Å; M1-L481 HydrophobicContact CE-CD1 4.19Å
2A78.6Confident86.4Confident84 Ų8493.6 Ų93.669%0.69454%0.539SS*.Hα-helixtrans-63.2-39.5-18000000113A6A2-A6 WeakPolarHBondContact O-CB 3.4Å; A2-A6 PolarHBondContact O-N 3.33Å
3T81.7Confident86.8Confident106 Ų10692.9 Ų92.965%0.6553%0.533SS*.Hα-helixtrans-66.5-42.7174.147.80000112.5M1 A6 T7M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.46Å; T3-A6 WeakPolarHBondContact O-CB 3.4Å; T3-A6 PolarHBondContact O-N 3.13Å; T3-T7 WeakPolarHBondContact O-CG2 3.26Å; T3-T7 PolarHBondContact O-N 3.41Å; T3-T7 PolarHBondContact O-OG1 3.42Å
4E84.4Confident87.2Confident120 Ų12089.6 Ų89.656%0.56152%0.522SS*.Hα-helixtrans-67.8-38.4177.3-66.6163.4159.500112.4M1 A6 T7 V8M1-E4 VanDerWaalsContact CA-OE2 3.32Å; M1-E4 WeakPolarHBondContact CA-OE2 3.26Å; M1-E4 PolarHBondContact N-OE2 2.92Å; M1-E4 PolarHBondContact O-N 3.31Å; E4-A6 VanDerWaalsContact C-N 3.33Å; E4-T7 WeakPolarHBondContact CA-OG1 3.45Å; E4-T7 PolarHBondContact O-N 3.29Å; E4-T7 PolarHBondContact O-OG1 3.09Å; E4-V8 VanDerWaalsContact O-CG2 3.32Å; E4-V8 WeakPolarHBondContact O-CG2 3.38Å; E4-V8 PolarHBondContact O-N 2.97Å
5L87.5Confident87.5Confident115 Ų11592.9 Ų92.960%0.60253%0.527SS*.Hα-helixtrans-66.4-38171.7-75.1169000110.7M1 V8 V9M1-L5 WeakPolarHBondContact O-CB 3.46Å; M1-L5 WeakPolarHBondContact O-CG 3.31Å; M1-L5 PolarHBondContact O-N 2.91Å; L5-V8 PolarHBondContact O-N 3.23Å; L5-V9 WeakPolarHBondContact O-CB 3.35Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 2.94Å
6A88.1Confident87.7Confident60 Ų6092.1 Ų92.150%0.49652%0.521SS..Hα-helixtrans-64.7-38.2174.400000112.3A2 T3 E4 S10A2-A6 WeakPolarHBondContact O-CB 3.4Å; A2-A6 PolarHBondContact O-N 3.33Å; T3-A6 WeakPolarHBondContact O-CB 3.4Å; T3-A6 PolarHBondContact O-N 3.13Å; E4-A6 VanDerWaalsContact C-N 3.33Å; A6-S10 VanDerWaalsContact O-CB 3.23Å; A6-S10 WeakPolarHBondContact O-CB 3.33Å; A6-S10 PolarHBondContact O-N 2.9Å
7T89.4Confident88Confident80 Ų8092.6 Ų92.649%0.49152%0.522SS..Hα-helixtrans-68.8-41.5174.654.20000111.8T3 E4 S10 D11T3-T7 WeakPolarHBondContact O-CG2 3.26Å; T3-T7 PolarHBondContact O-N 3.41Å; T3-T7 PolarHBondContact O-OG1 3.42Å; E4-T7 WeakPolarHBondContact CA-OG1 3.45Å; E4-T7 PolarHBondContact O-N 3.29Å; E4-T7 PolarHBondContact O-OG1 3.09Å; T7-S10 PolarHBondContact O-N 3.48Å; T7-D11 WeakPolarHBondContact O-CB 3.39Å; T7-D11 VanDerWaalsContact O-CG 3.3Å; T7-D11 PolarHBondContact O-N 3.41Å
8V88.7Confident88.2Confident71 Ų7194.9 Ų94.943%0.4353%0.528SS..Hα-helixtrans-64.1-44.4176.3172.50000111.1E4 L5 D11 Y12E4-V8 VanDerWaalsContact O-CG2 3.32Å; E4-V8 WeakPolarHBondContact O-CG2 3.38Å; E4-V8 PolarHBondContact O-N 2.97Å; L5-V8 PolarHBondContact O-N 3.23Å; V8-D11 PolarHBondContact O-N 3.31Å; V8-Y12 HydrophobicContact CG1-CD2 3.83Å; V8-Y12 HydrophobicContact CG1-CE2 3.92Å; V8-Y12 VanDerWaalsContact O-CD2 3.31Å; V8-Y12 WeakPolarHBondContact O-CD2 3.4Å; V8-Y12 PolarHBondContact O-N 2.98Å
9V91Very high88.3Confident82 Ų8291.4 Ų91.450%0.49751%0.512SS..Hα-helixtrans-62.4-43.6175.7172.40000110.7L5 D11 Y12 D13L5-V9 WeakPolarHBondContact O-CB 3.35Å; L5-V9 WeakPolarHBondContact O-CG2 3.42Å; L5-V9 PolarHBondContact O-N 2.94Å; V9-D11 PolarHBondContact O-N 3.24Å; V9-Y12 PolarHBondContact O-N 2.83Å; V9-D13 PolarHBondContact O-N 2.82Å
10S91.3Very high88.5Confident72 Ų7294.3 Ų94.350%0.50352%0.515SS..Hα-helixtrans-61-40.1175.9-174.20000112.9A6 T7 D13 A14A6-S10 VanDerWaalsContact O-CB 3.23Å; A6-S10 WeakPolarHBondContact O-CB 3.33Å; A6-S10 PolarHBondContact O-N 2.9Å; T7-S10 PolarHBondContact O-N 3.48Å; S10-D13 PolarHBondContact O-N 2.96Å; S10-A14 WeakPolarHBondContact O-CB 3.36Å; S10-A14 PolarHBondContact O-N 3.44Å
11D91.2Very high88.8Confident95 Ų9596.2 Ų96.251%0.50852%0.52SS..Hα-helixtrans-69.1-35.3177.2-74.2-11.5000111.9T7 V8 V9 K15T7-D11 WeakPolarHBondContact O-CB 3.39Å; T7-D11 VanDerWaalsContact O-CG 3.3Å; T7-D11 PolarHBondContact O-N 3.41Å; V8-D11 PolarHBondContact O-N 3.31Å; V9-D11 PolarHBondContact O-N 3.24Å; D11-K15 WeakPolarHBondContact O-CG 3.47Å; D11-K15 PolarHBondContact O-N 3.38Å; D11-K15 VanDerWaalsContact O-N 3.12Å
12Y90.8Very high89.7Confident132 Ų13296 Ų9652%0.51852%0.518SS..Hα-helixtrans-68.1-42.5173.2-93.5-78.7000111.7V8 V9 K15 L16V8-Y12 HydrophobicContact CG1-CD2 3.83Å; V8-Y12 HydrophobicContact CG1-CE2 3.92Å; V8-Y12 VanDerWaalsContact O-CD2 3.31Å; V8-Y12 WeakPolarHBondContact O-CD2 3.4Å; V8-Y12 PolarHBondContact O-N 2.98Å; V9-Y12 PolarHBondContact O-N 2.83Å; Y12-K15 PolarHBondContact O-N 2.87Å; Y12-L16 WeakPolarHBondContact O-CB 3.41Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 3.47Å
13D91.5Very high90.2Very high85 Ų8592.9 Ų92.946%0.45549%0.489SS..Hα-helixtrans-65-39.4176.6-74.3-19.1000111.5V9 S10 L16 N17V9-D13 PolarHBondContact O-N 2.82Å; S10-D13 PolarHBondContact O-N 2.96Å; D13-L16 PolarHBondContact O-N 3.34Å; D13-N17 WeakPolarHBondContact O-CB 3.28Å; D13-N17 VanDerWaalsContact O-CG 3.29Å; D13-N17 PolarHBondContact O-N 3.38Å; D13-N17 PolarHBondContact O-ND2 3.48Å
14A91.8Very high90.7Very high46 Ų4691 Ų9138%0.3847%0.473SS..Hα-helixtrans-61.7-46.9174.100000112S10 L16 N17 E18S10-A14 WeakPolarHBondContact O-CB 3.36Å; S10-A14 PolarHBondContact O-N 3.44Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-L16 PolarHBondContact O-N 2.85Å; A14-N17 PolarHBondContact O-N 2.9Å; A14-E18 PolarHBondContact O-N 3.01Å
15K92.5Very high91.1Very high139 Ų13987.7 Ų87.760%0.60447%0.466SS*.Hα-helixtrans-66.3-34.9177-73.3173.5-175.71690113D11 Y12 A19D11-K15 WeakPolarHBondContact O-CG 3.47Å; D11-K15 PolarHBondContact O-N 3.38Å; D11-K15 VanDerWaalsContact O-N 3.12Å; Y12-K15 PolarHBondContact O-N 2.87Å; K15-A19 VanDerWaalsContact O-CB 3.32Å; K15-A19 WeakPolarHBondContact O-CB 3.29Å; K15-A19 PolarHBondContact O-N 3.23Å
16L90.8Very high91.4Very high81 Ų8185.4 Ų85.442%0.42445%0.454SS..Hα-helixtrans-65.5-41.4173.7-82.9166.8000111Y12 D13 A14 A19 W20 F51Y12-L16 WeakPolarHBondContact O-CB 3.41Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 3.47Å; D13-L16 PolarHBondContact O-N 3.34Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-L16 PolarHBondContact O-N 2.85Å; L16-A19 PolarHBondContact O-N 2.91Å; L16-W20 WeakPolarHBondContact O-CB 3.44Å; L16-W20 PolarHBondContact O-N 3.02Å; L16-F51 HydrophobicContact CD2-CZ 4.31Å
17N91.8Very high91.5Very high101 Ų10185 Ų8554%0.5444%0.442SS..Hα-helixtrans-65.2-45.3175.4-73.5-22000112D13 A14 A19 W20 E21D13-N17 WeakPolarHBondContact O-CB 3.28Å; D13-N17 VanDerWaalsContact O-CG 3.29Å; D13-N17 PolarHBondContact O-N 3.38Å; D13-N17 PolarHBondContact O-ND2 3.48Å; A14-N17 PolarHBondContact O-N 2.9Å; N17-A19 VanDerWaalsContact C-N 3.33Å; N17-A19 PolarHBondContact O-N 3.45Å; N17-W20 WeakPolarHBondContact O-CB 3.32Å; N17-W20 PolarHBondContact O-N 3.42Å; N17-W20 VanDerWaalsContact O-N 3.12Å; N17-E21 WeakPolarHBondContact O-CG 3.36Å; N17-E21 PolarHBondContact O-N 2.96Å
18E92.4Very high91.7Very high133 Ų13385.4 Ų85.462%0.62144%0.441SS*.Hα-helixtrans-59.3-42.4174.2-74179.1-179.100112A14 W20 E21 H22A14-E18 PolarHBondContact O-N 3.01Å; E18-W20 VanDerWaalsContact C-N 3.29Å; E18-W20 PolarHBondContact O-N 3.34Å; E18-E21 PolarHBondContact O-N 3.36Å; E18-H22 WeakPolarHBondContact O-CB 3.31Å; E18-H22 PolarHBondContact O-N 3.44Å
19A89.9Confident91.9Very high28 Ų2885.9 Ų85.923%0.23144%0.441CS..Hα-helixtrans-65.9-33.6176.500000112.4K15 L16 N17 M23 V50K15-A19 VanDerWaalsContact O-CB 3.32Å; K15-A19 WeakPolarHBondContact O-CB 3.29Å; K15-A19 PolarHBondContact O-N 3.23Å; L16-A19 PolarHBondContact O-N 2.91Å; N17-A19 VanDerWaalsContact C-N 3.33Å; N17-A19 PolarHBondContact O-N 3.45Å; A19-M23 WeakPolarHBondContact O-CB 3.26Å; A19-M23 PolarHBondContact O-N 3.48Å; A19-V50 HydrophobicContact CB-CG1 4.46Å
20W91.8Very high91.9Very high149 Ų14985.4 Ų85.456%0.56443%0.433SS*.Hα-helixtrans-71.2-42.6176.6-165.173.5000111.8L16 N17 E18 M23 H24L16-W20 WeakPolarHBondContact O-CB 3.44Å; L16-W20 PolarHBondContact O-N 3.02Å; N17-W20 WeakPolarHBondContact O-CB 3.32Å; N17-W20 PolarHBondContact O-N 3.42Å; N17-W20 VanDerWaalsContact O-N 3.12Å; E18-W20 VanDerWaalsContact C-N 3.29Å; E18-W20 PolarHBondContact O-N 3.34Å; W20-M23 HydrophobicContact CG-CE 4.25Å; W20-M23 WeakPolarHBondContact O-CB 3.47Å; W20-M23 PolarHBondContact O-N 3.49Å; W20-H24 AromaticContact CD2-CD2 3.67Å; W20-H24 AromaticContact CD2-NE2 3.79Å; W20-H24 AromaticContact CE2-CD2 3.65Å; W20-H24 AromaticContact CE2-NE2 3.22Å; W20-H24 AromaticContact CE3-CD2 3.8Å; W20-H24 AromaticContact CH2-CD2 3.91Å; W20-H24 AromaticContact CH2-NE2 3.5Å; W20-H24 WeakPolarHBondContact CH2-NE2 3.29Å; W20-H24 AromaticContact CZ2-CD2 3.8Å; W20-H24 AromaticContact CZ2-NE2 3.08Å; W20-H24 WeakPolarHBondContact CZ2-NE2 3.33Å; W20-H24 AromaticContact CZ3-CD2 3.91Å; W20-H24 AromaticContact CZ3-NE2 4Å; W20-H24 AromaticContact NE1-NE2 3.71Å; W20-H24 PolarHBondContact O-CD2 3.08Å; W20-H24 PolarHBondContact O-N 3.3Å
21E94Very high92Very high136 Ų13687.7 Ų87.764%0.63643%0.433SS*.Hα-helixtrans-63.1-43.4172.8-71.8-173168.200112N17 E18 M23 H24 A25N17-E21 WeakPolarHBondContact O-CG 3.36Å; N17-E21 PolarHBondContact O-N 2.96Å; E18-E21 PolarHBondContact O-N 3.36Å; E21-M23 VanDerWaalsContact C-N 3.29Å; E21-M23 PolarHBondContact O-N 3.46Å; E21-H24 PolarHBondContact O-N 2.85Å; E21-A25 PolarHBondContact O-N 3.24Å
22H93.5Very high92.1Very high101 Ų10190.7 Ų90.747%0.46844%0.442SS..Hα-helixtrans-61.9-38.4175.5-174-94.4000112E18 A25 L26 Y46E18-H22 WeakPolarHBondContact O-CB 3.31Å; E18-H22 PolarHBondContact O-N 3.44Å; H22-A25 PolarHBondContact O-N 3.46Å; H22-L26 WeakPolarHBondContact O-CG 3.4Å; H22-L26 PolarHBondContact O-N 3.43Å; H22-Y46 PolarHBondContact ND1-OH 3.09Å
23M90.3Very high92.3Very high18 Ų1891.6 Ų91.69%0.08946%0.455CS..Hα-helixtrans-66-39.8175.4-178178.953.200111.9A19 W20 E21 L26 E27 V43 Y46 L47A19-M23 WeakPolarHBondContact O-CB 3.26Å; A19-M23 PolarHBondContact O-N 3.48Å; W20-M23 HydrophobicContact CG-CE 4.25Å; W20-M23 WeakPolarHBondContact O-CB 3.47Å; W20-M23 PolarHBondContact O-N 3.49Å; E21-M23 VanDerWaalsContact C-N 3.29Å; E21-M23 PolarHBondContact O-N 3.46Å; M23-L26 PolarHBondContact O-N 2.96Å; M23-E27 PolarHBondContact O-N 3.39Å; M23-V43 HydrophobicContact SD-CG1 3.81Å; M23-Y46 HydrophobicContact CB-CD1 4.4Å; M23-Y46 HydrophobicContact CB-CE1 4.15Å; M23-Y46 HydrophobicContact CG-CD1 4.26Å; M23-Y46 HydrophobicContact CG-CE1 4.5Å; M23-Y46 HydrophobicContact SD-CD1 4.22Å; M23-L47 HydrophobicContact SD-CG 4.45Å
24H91.8Very high92.3Very high66 Ų6690.6 Ų90.631%0.30645%0.452SS..Hα-helixtrans-67.2-39.3174.5-84.5-57.6000112.8W20 E21 L26 E27 D28W20-H24 AromaticContact CD2-CD2 3.67Å; W20-H24 AromaticContact CD2-NE2 3.79Å; W20-H24 AromaticContact CE2-CD2 3.65Å; W20-H24 AromaticContact CE2-NE2 3.22Å; W20-H24 AromaticContact CE3-CD2 3.8Å; W20-H24 AromaticContact CH2-CD2 3.91Å; W20-H24 AromaticContact CH2-NE2 3.5Å; W20-H24 WeakPolarHBondContact CH2-NE2 3.29Å; W20-H24 AromaticContact CZ2-CD2 3.8Å; W20-H24 AromaticContact CZ2-NE2 3.08Å; W20-H24 WeakPolarHBondContact CZ2-NE2 3.33Å; W20-H24 AromaticContact CZ3-CD2 3.91Å; W20-H24 AromaticContact CZ3-NE2 4Å; W20-H24 AromaticContact NE1-NE2 3.71Å; W20-H24 PolarHBondContact O-CD2 3.08Å; W20-H24 PolarHBondContact O-N 3.3Å; E21-H24 PolarHBondContact O-N 2.85Å; H24-L26 VanDerWaalsContact C-N 3.34Å; H24-L26 PolarHBondContact O-N 3.24Å; H24-E27 IonicContact CE1-OE2 3.5Å; H24-E27 IonicContact ND1-OE2 2.66Å; H24-E27 WeakPolarHBondContact O-CB 3.37Å; H24-E27 PolarHBondContact O-N 2.93Å; H24-E27 VanDerWaalsContact O-N 3.13Å; H24-D28 PolarHBondContact O-N 3.46Å
25A93.1Very high92.4Very high51 Ų5191.4 Ų91.442%0.42147%0.465SS..Hα-helixtrans-60.5-43.8173.100000111.7E21 H22 E27 D28 D29E21-A25 PolarHBondContact O-N 3.24Å; H22-A25 PolarHBondContact O-N 3.46Å; A25-E27 VanDerWaalsContact C-N 3.31Å; A25-E27 PolarHBondContact O-N 2.85Å; A25-D28 PolarHBondContact O-N 2.91Å; A25-D29 PolarHBondContact O-N 2.81Å
26L92.9Very high92.2Very high68 Ų6893.6 Ų93.636%0.35647%0.47SS..Hα-helixtrans-63.5-36.1173.4-73.5175.7000112.3H22 M23 H24 F30 F38 Y46H22-L26 WeakPolarHBondContact O-CG 3.4Å; H22-L26 PolarHBondContact O-N 3.43Å; M23-L26 PolarHBondContact O-N 2.96Å; H24-L26 VanDerWaalsContact C-N 3.34Å; H24-L26 PolarHBondContact O-N 3.24Å; L26-F30 VanDerWaalsContact O-CB 3.24Å; L26-F30 WeakPolarHBondContact O-CB 3.38Å; L26-F30 PolarHBondContact O-N 3.23Å; L26-F38 HydrophobicContact CB-CE2 4.23Å; L26-F38 WeakPolarHBondContact O-CE2 3.49Å; L26-Y46 HydrophobicContact CD1-CE2 4.11Å
27E91.4Very high92.1Very high50 Ų5093.7 Ų93.723%0.23448%0.475CS..Hα-helixtrans-66.6-42.1177.2-172.3170.5-164.300111.6M23 H24 A25 F30 K31 F38M23-E27 PolarHBondContact O-N 3.39Å; H24-E27 IonicContact CE1-OE2 3.5Å; H24-E27 IonicContact ND1-OE2 2.66Å; H24-E27 WeakPolarHBondContact O-CB 3.37Å; H24-E27 PolarHBondContact O-N 2.93Å; H24-E27 VanDerWaalsContact O-N 3.13Å; A25-E27 VanDerWaalsContact C-N 3.31Å; A25-E27 PolarHBondContact O-N 2.85Å; E27-F30 PolarHBondContact O-N 3.49Å; E27-K31 WeakPolarHBondContact O-CB 3.43Å; E27-K31 PolarHBondContact O-N 2.84Å; E27-F38 VanDerWaalsContact CA-CE2 3.45Å; E27-F38 HydrophobicContact CB-CD2 3.7Å; E27-F38 HydrophobicContact CB-CE2 4.07Å; E27-F38 HydrophobicContact CG-CD2 3.8Å
28D92.7Very high91.7Very high90 Ų9091 Ų9148%0.48146%0.459SS..Hα-helixtrans-64.5-41.7175.6-79.9-20.1000111.8H24 A25 K31 K32H24-D28 PolarHBondContact O-N 3.46Å; A25-D28 PolarHBondContact O-N 2.91Å; D28-K31 PolarHBondContact O-N 3.47Å; D28-K32 VanDerWaalsContact O-CG 3.25Å; D28-K32 WeakPolarHBondContact O-CG 3.23Å; D28-K32 PolarHBondContact O-N 2.81Å
29D93.5Very high91.5Very high80 Ų8086.6 Ų86.643%0.42845%0.449SS..Hα-helixtrans-70.1-39.5177.4-73.1-14.2000112.3A25 K31 K32 L33A25-D29 PolarHBondContact O-N 2.81Å; D29-K31 VanDerWaalsContact C-N 3.33Å; D29-K31 PolarHBondContact O-N 2.88Å; D29-K32 PolarHBondContact O-N 3.38Å; D29-K32 IonicContact OD1-NZ 2.69Å; D29-K32 PolarHBondContact OD1-NZ 3.42Å; D29-L33 WeakPolarHBondContact O-CB 3.44Å; D29-L33 WeakPolarHBondContact O-CG 3.3Å; D29-L33 PolarHBondContact O-N 2.83Å
30F91.6Very high91.2Very high72 Ų7296 Ų9632%0.31648%0.479SS..Hα-helixtrans-63.8-39.6172.9-175.7-95.3000111.9L26 E27 L33 T34 R36 F38L26-F30 VanDerWaalsContact O-CB 3.24Å; L26-F30 WeakPolarHBondContact O-CB 3.38Å; L26-F30 PolarHBondContact O-N 3.23Å; E27-F30 PolarHBondContact O-N 3.49Å; F30-L33 PolarHBondContact O-N 2.8Å; F30-T34 HydrophobicContact CD1-CG2 4.44Å; F30-T34 HydrophobicContact CD2-CG2 4.1Å; F30-T34 HydrophobicContact CE1-CG2 4.07Å; F30-T34 VanDerWaalsContact CE1-OG1 3.31Å; F30-T34 WeakPolarHBondContact CE1-OG1 3.28Å; F30-T34 HydrophobicContact CE2-CG2 3.7Å; F30-T34 HydrophobicContact CG-CG2 4.46Å; F30-T34 HydrophobicContact CZ-CG2 3.69Å; F30-T34 WeakPolarHBondContact O-CB 3.47Å; F30-T34 PolarHBondContact O-N 3.32Å; F30-T34 PolarHBondContact O-OG1 3.41Å; F30-R36 WeakPolarHBondContact CD1-O 3.42Å; F30-F38 HydrophobicContact CB-CD2 4.37Å; F30-F38 HydrophobicContact CB-CE1 3.96Å; F30-F38 HydrophobicContact CB-CE2 3.75Å; F30-F38 HydrophobicContact CB-CZ 3.5Å; F30-F38 AromaticContact CD1-CD1 3.87Å; F30-F38 HydrophobicContact CD1-CD1 3.87Å; F30-F38 AromaticContact CD1-CE1 3.92Å; F30-F38 HydrophobicContact CD1-CE1 3.92Å; F30-F38 HydrophobicContact CD1-CG 4.21Å; F30-F38 HydrophobicContact CD1-CZ 4.3Å; F30-F38 HydrophobicContact CD2-CD1 4.34Å; F30-F38 AromaticContact CD2-CE1 3.61Å; F30-F38 HydrophobicContact CD2-CE1 3.61Å; F30-F38 AromaticContact CD2-CZ 3.92Å; F30-F38 HydrophobicContact CD2-CZ 3.92Å; F30-F38 HydrophobicContact CE1-CD1 4.11Å; F30-F38 HydrophobicContact CE1-CE1 4.33Å; F30-F38 HydrophobicContact CE2-CE1 4.04Å; F30-F38 AromaticContact CG-CD1 4Å; F30-F38 HydrophobicContact CG-CD1 4Å; F30-F38 AromaticContact CG-CE1 3.54Å; F30-F38 HydrophobicContact CG-CE1 3.54Å; F30-F38 HydrophobicContact CG-CE2 4.2Å; F30-F38 HydrophobicContact CG-CG 4.49Å; F30-F38 AromaticContact CG-CZ 3.65Å; F30-F38 HydrophobicContact CG-CZ 3.65Å; F30-F38 HydrophobicContact CZ-CD1 4.44Å; F30-F38 HydrophobicContact CZ-CE1 4.38Å
31K93Very high90.8Very high120 Ų12096.9 Ų96.952%0.52249%0.489SS..Hα-helixtrans-68.1-37.4176.6-172.4178.4178.3-176.10111.8E27 D28 D29 G35E27-K31 WeakPolarHBondContact O-CB 3.43Å; E27-K31 PolarHBondContact O-N 2.84Å; D28-K31 PolarHBondContact O-N 3.47Å; D29-K31 VanDerWaalsContact C-N 3.33Å; D29-K31 PolarHBondContact O-N 2.88Å; K31-G35 WeakPolarHBondContact O-CA 3.31Å; K31-G35 PolarHBondContact O-N 3.23Å
32K93.8Very high90.4Very high159 Ų15993.8 Ų93.869%0.69148%0.479SS*.Hα-helixtrans-62.8-40.3171.3-73.4169.3-159.71560111.9D28 D29D28-K32 VanDerWaalsContact O-CG 3.25Å; D28-K32 WeakPolarHBondContact O-CG 3.23Å; D28-K32 PolarHBondContact O-N 2.81Å; D29-K32 PolarHBondContact O-N 3.38Å; D29-K32 IonicContact OD1-NZ 2.69Å; D29-K32 PolarHBondContact OD1-NZ 3.42Å
33L93.7Very high89.9Confident150 Ų15091 Ų9179%0.78547%0.468SS*.Hα-helixtrans-76.7-39.5-177.6-74.5167.6000113.5D29 F30D29-L33 WeakPolarHBondContact O-CB 3.44Å; D29-L33 WeakPolarHBondContact O-CG 3.3Å; D29-L33 PolarHBondContact O-N 2.83Å; F30-L33 PolarHBondContact O-N 2.8Å
34T92Very high89.5Confident64 Ų6496.4 Ų96.439%0.39349%0.494SS..Hα-helixtrans-110-14.6-170.667.90000114.3F30 R36F30-T34 HydrophobicContact CD1-CG2 4.44Å; F30-T34 HydrophobicContact CD2-CG2 4.1Å; F30-T34 HydrophobicContact CE1-CG2 4.07Å; F30-T34 VanDerWaalsContact CE1-OG1 3.31Å; F30-T34 WeakPolarHBondContact CE1-OG1 3.28Å; F30-T34 HydrophobicContact CE2-CG2 3.7Å; F30-T34 HydrophobicContact CG-CG2 4.46Å; F30-T34 HydrophobicContact CZ-CG2 3.69Å; F30-T34 WeakPolarHBondContact O-CB 3.47Å; F30-T34 PolarHBondContact O-N 3.32Å; F30-T34 PolarHBondContact O-OG1 3.41Å; T34-R36 PolarHBondContact O-N 2.84Å; T34-R36 PolarHBondContact OG1-N 3.47Å; T34-R36 PolarHBondContact OG1-O 2.83Å
35G93.8Very high89.2Confident64 Ų6496 Ų9666%0.6650%0.501SS*.SBendtrans66.88.9-169.800000114K31K31-G35 WeakPolarHBondContact O-CA 3.31Å; K31-G35 PolarHBondContact O-N 3.23Å
36R89.2Confident88.8Confident185 Ų18597 Ų9770%0.69850%0.495SS*.SBendtrans-123.6142.3-178.4-63.1-174.9-178.7-150.70.5110.6F30 T34F30-R36 WeakPolarHBondContact CD1-O 3.42Å; T34-R36 PolarHBondContact O-N 2.84Å; T34-R36 PolarHBondContact OG1-N 3.47Å; T34-R36 PolarHBondContact OG1-O 2.83Å
37P87.7Confident88.2Confident82 Ų8297 Ų9753%0.53249%0.494SS..PPolyproline II helixtrans-68.9160.3171.930.4-34.2000110.6G39P37-G39 PolarHBondContact O-N 3.43Å
38F84.5Confident87.8Confident45 Ų45103.2 Ų103.220%0.19752%0.516CS..PPolyproline II helixtrans-59.6131.7172.9-87.1-58.5000110.4L26 E27 F30 V42 V43L26-F38 HydrophobicContact CB-CE2 4.23Å; L26-F38 WeakPolarHBondContact O-CE2 3.49Å; E27-F38 VanDerWaalsContact CA-CE2 3.45Å; E27-F38 HydrophobicContact CB-CD2 3.7Å; E27-F38 HydrophobicContact CB-CE2 4.07Å; E27-F38 HydrophobicContact CG-CD2 3.8Å; F30-F38 HydrophobicContact CB-CD2 4.37Å; F30-F38 HydrophobicContact CB-CE1 3.96Å; F30-F38 HydrophobicContact CB-CE2 3.75Å; F30-F38 HydrophobicContact CB-CZ 3.5Å; F30-F38 AromaticContact CD1-CD1 3.87Å; F30-F38 HydrophobicContact CD1-CD1 3.87Å; F30-F38 AromaticContact CD1-CE1 3.92Å; F30-F38 HydrophobicContact CD1-CE1 3.92Å; F30-F38 HydrophobicContact CD1-CG 4.21Å; F30-F38 HydrophobicContact CD1-CZ 4.3Å; F30-F38 HydrophobicContact CD2-CD1 4.34Å; F30-F38 AromaticContact CD2-CE1 3.61Å; F30-F38 HydrophobicContact CD2-CE1 3.61Å; F30-F38 AromaticContact CD2-CZ 3.92Å; F30-F38 HydrophobicContact CD2-CZ 3.92Å; F30-F38 HydrophobicContact CE1-CD1 4.11Å; F30-F38 HydrophobicContact CE1-CE1 4.33Å; F30-F38 HydrophobicContact CE2-CE1 4.04Å; F30-F38 AromaticContact CG-CD1 4Å; F30-F38 HydrophobicContact CG-CD1 4Å; F30-F38 AromaticContact CG-CE1 3.54Å; F30-F38 HydrophobicContact CG-CE1 3.54Å; F30-F38 HydrophobicContact CG-CE2 4.2Å; F30-F38 HydrophobicContact CG-CG 4.49Å; F30-F38 AromaticContact CG-CZ 3.65Å; F30-F38 HydrophobicContact CG-CZ 3.65Å; F30-F38 HydrophobicContact CZ-CD1 4.44Å; F30-F38 HydrophobicContact CZ-CE1 4.38Å; F38-V42 HydrophobicContact CD1-CB 3.76Å; F38-V42 HydrophobicContact CD1-CG1 3.5Å; F38-V42 HydrophobicContact CD1-CG2 4.17Å; F38-V42 HydrophobicContact CE1-CB 4.39Å; F38-V42 HydrophobicContact CE1-CG1 3.63Å; F38-V42 HydrophobicContact CG-CB 4.41Å; F38-V42 HydrophobicContact CG-CG1 4.34Å; F38-V43 HydrophobicContact CB-CG2 4.02Å
39G87.3Confident87.3Confident41 Ų41103.9 Ų103.942%0.42352%0.519SS..PPolyproline II helixtrans-61.6141.6167.100000109.6P37 H41 V42P37-G39 PolarHBondContact O-N 3.43Å; G39-H41 PolarHBondContact O-N 3.39Å; G39-V42 PolarHBondContact O-N 3.48Å
40R83.4Confident86.7Confident226 Ų226101.7 Ų101.785%0.85351%0.508SS*.Hα-helixtrans-49.6-30.3179.4-70.4-176179.3-172.5-0.7113.3V42 H44R40-V42 PolarHBondContact O-N 2.88Å; R40-H44 WeakPolarHBondContact O-CB 2.86Å; R40-H44 PolarHBondContact O-N 2.89Å
41H83.5Confident86.1Confident167 Ų167103.3 Ų103.377%0.77352%0.516SS*.Hα-helixtrans-64-35176-61-65.4000113.7G39 A45G39-H41 PolarHBondContact O-N 3.39Å; H41-A45 VanDerWaalsContact O-CB 3.24Å; H41-A45 WeakPolarHBondContact O-CB 3.36Å; H41-A45 PolarHBondContact O-N 2.74Å
42V84.9Confident85.4Confident71 Ų71100.9 Ų100.943%0.4351%0.511SS..Hα-helixtrans-72.6-43.5179.2-1740000110.3F38 G39 R40 H44 A45 Y46F38-V42 HydrophobicContact CD1-CB 3.76Å; F38-V42 HydrophobicContact CD1-CG1 3.5Å; F38-V42 HydrophobicContact CD1-CG2 4.17Å; F38-V42 HydrophobicContact CE1-CB 4.39Å; F38-V42 HydrophobicContact CE1-CG1 3.63Å; F38-V42 HydrophobicContact CG-CB 4.41Å; F38-V42 HydrophobicContact CG-CG1 4.34Å; G39-V42 PolarHBondContact O-N 3.48Å; R40-V42 PolarHBondContact O-N 2.88Å; V42-H44 VanDerWaalsContact C-N 3.32Å; V42-H44 PolarHBondContact O-N 3.2Å; V42-A45 PolarHBondContact O-N 2.83Å; V42-Y46 WeakPolarHBondContact O-CB 3.45Å; V42-Y46 PolarHBondContact O-N 3.35Å
43V84.2Confident84.3Confident41 Ų41102.8 Ų102.825%0.24851%0.513CS..Hα-helixtrans-58.3-47173.4179.20000110.4M23 F38 A45 Y46 L47M23-V43 HydrophobicContact SD-CG1 3.81Å; F38-V43 HydrophobicContact CB-CG2 4.02Å; V43-A45 VanDerWaalsContact C-N 3.35Å; V43-A45 PolarHBondContact O-N 2.82Å; V43-Y46 PolarHBondContact O-N 3.37Å; V43-L47 HydrophobicContact CG1-CD1 4.03Å; V43-L47 WeakPolarHBondContact O-CB 3.18Å; V43-L47 WeakPolarHBondContact O-CG 3.35Å; V43-L47 PolarHBondContact O-N 2.88Å
44H82.2Confident83.1Confident133 Ų13399.8 Ų99.862%0.61650%0.504SS*.Hα-helixtrans-68.9-32.4-180-153.5-66.7000112.8R40 V42 R48R40-H44 WeakPolarHBondContact O-CB 2.86Å; R40-H44 PolarHBondContact O-N 2.89Å; V42-H44 VanDerWaalsContact C-N 3.32Å; V42-H44 PolarHBondContact O-N 3.2Å; H44-R48 VanDerWaalsContact O-CB 3.22Å; H44-R48 WeakPolarHBondContact O-CB 3.21Å; H44-R48 PolarHBondContact O-N 3.45Å
45A83.9Confident81.8Confident57 Ų57102.8 Ų102.847%0.47152%0.517SS..Hα-helixtrans-69.4-43.6173.300000111.4H41 V42 V43 R48 L49H41-A45 VanDerWaalsContact O-CB 3.24Å; H41-A45 WeakPolarHBondContact O-CB 3.36Å; H41-A45 PolarHBondContact O-N 2.74Å; V42-A45 PolarHBondContact O-N 2.83Å; V43-A45 VanDerWaalsContact C-N 3.35Å; V43-A45 PolarHBondContact O-N 2.82Å; A45-R48 PolarHBondContact O-N 3.24Å; A45-L49 WeakPolarHBondContact O-CB 3.45Å; A45-L49 PolarHBondContact O-N 3.25Å
46Y84.7Confident80Confident73 Ų73103.4 Ų103.429%0.28651%0.51SS..Hα-helixtrans-63.6-48.6177-173.1-96000111.3H22 M23 L26 V42 V43 R48 L49 V50H22-Y46 PolarHBondContact ND1-OH 3.09Å; M23-Y46 HydrophobicContact CB-CD1 4.4Å; M23-Y46 HydrophobicContact CB-CE1 4.15Å; M23-Y46 HydrophobicContact CG-CD1 4.26Å; M23-Y46 HydrophobicContact CG-CE1 4.5Å; M23-Y46 HydrophobicContact SD-CD1 4.22Å; L26-Y46 HydrophobicContact CD1-CE2 4.11Å; V42-Y46 WeakPolarHBondContact O-CB 3.45Å; V42-Y46 PolarHBondContact O-N 3.35Å; V43-Y46 PolarHBondContact O-N 3.37Å; Y46-R48 VanDerWaalsContact C-N 3.32Å; Y46-R48 PolarHBondContact O-N 2.91Å; Y46-L49 CarbonylContact O-C 3.59Å; Y46-L49 WeakPolarHBondContact O-CB 3.3Å; Y46-L49 PolarHBondContact O-N 3.2Å; Y46-V50 HydrophobicContact CD1-CG2 3.92Å; Y46-V50 HydrophobicContact CE1-CG2 3.57Å; Y46-V50 WeakPolarHBondContact O-CG2 3.34Å; Y46-V50 PolarHBondContact O-N 3.44Å
47L82.2Confident78.2Confident66 Ų66104.4 Ų104.435%0.34651%0.514SS..Hα-helixtrans-58.1-44.9174.3-74.2171.2000111.1M23 V43 L49 V50 F51M23-L47 HydrophobicContact SD-CG 4.45Å; V43-L47 HydrophobicContact CG1-CD1 4.03Å; V43-L47 WeakPolarHBondContact O-CB 3.18Å; V43-L47 WeakPolarHBondContact O-CG 3.35Å; V43-L47 PolarHBondContact O-N 2.88Å; L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 3.34Å; L47-V50 PolarHBondContact O-N 3.31Å; L47-F51 HydrophobicContact CB-CD2 4.48Å; L47-F51 WeakPolarHBondContact O-CB 3.17Å; L47-F51 WeakPolarHBondContact O-CD2 3.21Å; L47-F51 PolarHBondContact O-N 2.94Å
48R82.9Confident76.4Confident182 Ų182106.7 Ų106.769%0.68753%0.529SS*.Hα-helixtrans-60.5-40.2175.7-166.9174.6-171.3173.11.4111.4H44 A45 Y46 T52H44-R48 VanDerWaalsContact O-CB 3.22Å; H44-R48 WeakPolarHBondContact O-CB 3.21Å; H44-R48 PolarHBondContact O-N 3.45Å; A45-R48 PolarHBondContact O-N 3.24Å; Y46-R48 VanDerWaalsContact C-N 3.32Å; Y46-R48 PolarHBondContact O-N 2.91Å; R48-T52 WeakPolarHBondContact O-CB 3.39Å; R48-T52 WeakPolarHBondContact O-CG2 3.5Å; R48-T52 PolarHBondContact O-N 2.86Å; R48-T52 PolarHBondContact O-OG1 2.82Å
49L82Confident74.8Confident103 Ų103113 Ų11354%0.53955%0.552SS.*Hα-helixtrans-67.7-44.8179.3-147.9141.5000111.2A45 Y46 L47 T52 R53A45-L49 WeakPolarHBondContact O-CB 3.45Å; A45-L49 PolarHBondContact O-N 3.25Å; Y46-L49 CarbonylContact O-C 3.59Å; Y46-L49 WeakPolarHBondContact O-CB 3.3Å; Y46-L49 PolarHBondContact O-N 3.2Å; L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 3.34Å; L49-T52 WeakPolarHBondContact CA-OG1 3.29Å; L49-T52 PolarHBondContact O-N 2.92Å; L49-T52 PolarHBondContact O-OG1 3.17Å; L49-R53 VanDerWaalsContact O-CB 3.27Å; L49-R53 WeakPolarHBondContact O-CB 3.45Å; L49-R53 PolarHBondContact O-N 3.27Å
50V80Confident73.2Confident34 Ų34115 Ų11521%0.20657%0.571CS.*Hα-helixtrans-62.5-49.1174.5175.20000110.8A19 Y46 L47 T52 R53 C54A19-V50 HydrophobicContact CB-CG1 4.46Å; Y46-V50 HydrophobicContact CD1-CG2 3.92Å; Y46-V50 HydrophobicContact CE1-CG2 3.57Å; Y46-V50 WeakPolarHBondContact O-CG2 3.34Å; Y46-V50 PolarHBondContact O-N 3.44Å; L47-V50 PolarHBondContact O-N 3.31Å; V50-T52 VanDerWaalsContact C-N 3.34Å; V50-T52 PolarHBondContact O-N 3.45Å; V50-R53 PolarHBondContact O-N 3.17Å; V50-C54 WeakPolarHBondContact O-CB 3.14Å; V50-C54 PolarHBondContact O-N 2.82Å; V50-C54 PolarHBondContact O-SG 2.91Å; V50-C54 VanDerWaalsContact O-SG 3.34Å
51F79.9Confident71.4Confident107 Ų107116.6 Ų116.647%0.46958%0.578SS.*Hα-helixtrans-60.4-42.2176.1-86.7-71.5000111.9L16 L47 R53 L55L16-F51 HydrophobicContact CD2-CZ 4.31Å; L47-F51 HydrophobicContact CB-CD2 4.48Å; L47-F51 WeakPolarHBondContact O-CB 3.17Å; L47-F51 WeakPolarHBondContact O-CD2 3.21Å; L47-F51 PolarHBondContact O-N 2.94Å; F51-R53 VanDerWaalsContact C-N 3.31Å; F51-R53 PolarHBondContact O-N 3.35Å; F51-L55 HydrophobicContact CD1-CD1 4.31Å; F51-L55 VanDerWaalsContact O-CB 3.22Å; F51-L55 WeakPolarHBondContact O-CB 3.27Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.49Å
52T77Confident69.8Low68 Ų68112.7 Ų112.742%0.41758%0.582SS.*Hα-helixtrans-67.1-31.3174.955.10000112.5R48 L49 V50 C56R48-T52 WeakPolarHBondContact O-CB 3.39Å; R48-T52 WeakPolarHBondContact O-CG2 3.5Å; R48-T52 PolarHBondContact O-N 2.86Å; R48-T52 PolarHBondContact O-OG1 2.82Å; L49-T52 WeakPolarHBondContact CA-OG1 3.29Å; L49-T52 PolarHBondContact O-N 2.92Å; L49-T52 PolarHBondContact O-OG1 3.17Å; V50-T52 VanDerWaalsContact C-N 3.34Å; V50-T52 PolarHBondContact O-N 3.45Å; T52-C56 VanDerWaalsContact O-CA 3.28Å; T52-C56 WeakPolarHBondContact O-CA 3.34Å; T52-C56 WeakPolarHBondContact O-CB 3.43Å; T52-C56 PolarHBondContact O-N 3.09Å; T52-C56 PolarHBondContact O-SG 3.32Å
53R71.7Confident67.9Low199 Ų199112.7 Ų112.775%0.75160%0.597SS**Hα-helixtrans-81.7-31.4-179.6-151.5172.2-175.4169.4-0.9112.2L49 V50 F51L49-R53 VanDerWaalsContact O-CB 3.27Å; L49-R53 WeakPolarHBondContact O-CB 3.45Å; L49-R53 PolarHBondContact O-N 3.27Å; V50-R53 PolarHBondContact O-N 3.17Å; F51-R53 VanDerWaalsContact C-N 3.31Å; F51-R53 PolarHBondContact O-N 3.35Å
54C68.4Low66.2Low87 Ų87119.3 Ų119.359%0.58863%0.63SS**Hα-helixtrans-76.6-32.2173.6-690000112.3V50V50-C54 WeakPolarHBondContact O-CB 3.14Å; V50-C54 PolarHBondContact O-N 2.82Å; V50-C54 PolarHBondContact O-SG 2.91Å; V50-C54 VanDerWaalsContact O-SG 3.34Å
55L65.2Low64.5Low128 Ų128117.2 Ų117.267%0.6764%0.636SS**Hα-helixtrans-98.8-15.1179.8-62.7171.4000113.9F51F51-L55 HydrophobicContact CD1-CD1 4.31Å; F51-L55 VanDerWaalsContact O-CB 3.22Å; F51-L55 WeakPolarHBondContact O-CB 3.27Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.49Å
56C55.4Low62.8Low76 Ų76121.6 Ų121.651%0.51466%0.657SS.*  trans-125.7112.3179.2-49.30000111.6T52T52-C56 VanDerWaalsContact O-CA 3.28Å; T52-C56 WeakPolarHBondContact O-CA 3.34Å; T52-C56 WeakPolarHBondContact O-CB 3.43Å; T52-C56 PolarHBondContact O-N 3.09Å; T52-C56 PolarHBondContact O-SG 3.32Å
57R52.3Low60.8Low206 Ų206130.5 Ų130.578%0.77769%0.69SS**  trans-54.2140159.7-109.1178.1171.4172.4-1.3109.3R59R57-R59 PolarHBondContact O-N 3Å
58P48.9Very low59.1Low130 Ų130131.1 Ų131.184%0.84471%0.712SS**  trans-68.6114.2-169.426.7-32.5000111.7
59R51.7Low57.3Low179 Ų179134.9 Ų134.968%0.67573%0.726SS**PPolyproline II helixtrans-89.1119.3166.5-89.2-175.3164.6150.70.2109.8R57 Q516R57-R59 PolarHBondContact O-N 3Å; R59-Q516 VanDerWaalsContact NH2-CG 3.3Å
60G52.4Low55.7Low81 Ų81133.2 Ų133.284%0.83573%0.734SS**PPolyproline II helixtrans-66.2140.3170.500000111.8
61R46.9Very low53.7Low261 Ų261137.2 Ų137.299%0.98576%0.761SS**PPolyproline II helixtrans-88.1132.9-179.6-83.4-175.9175.1-143.21112
62G49Very low52.1Low84 Ų84139.4 Ų139.487%0.86678%0.777SS**  trans154.3131.1160.100000108.7
63G45Very low50.7Low72 Ų72142.5 Ų142.574%0.74279%0.791SS**  cis163.41331.800000106.8
64L47.9Very low49.4Very low179 Ų179137.6 Ų137.694%0.93779%0.787SS**  trans72.195.3158.9-62.7164.3000121.2
65A46.3Very low48.3Very low90 Ų90143 Ų14374%0.74480%0.801SS**  30.9122.4127.500000121.9
66T49.8Very low47.5Very low148 Ų148145.6 Ų145.691%0.90881%0.809SS**  -155.7140.3117.9450000111.4
67R42.6Very low46.8Very low260 Ų260153.6 Ų153.698%0.98183%0.829SS**  trans-77.7139.1-175.6-72.5171.7166.2174.5-4.1112.5
68G46.1Very low47Very low80 Ų80155 Ų15583%0.82583%0.834SS**  trans-157.399.7160.800000111.4
69R45.5Very low47.1Very low260 Ų260154.7 Ų154.798%0.98183%0.832SS**  trans-82.7126.8174.2-74.5-175.5-178.5-141.1-0.8109.7
70G47.7Very low47.5Very low68 Ų68153 Ų15370%0.70184%0.841SS**  trans-134.8131.916300000109.8
71P38.9Very low48Very low119 Ų119156.7 Ų156.777%0.77384%0.841SS**  trans-82.8155.7172.135-29.9000109.5
72L46.3Very low49Very low152 Ų152149.1 Ų149.180%0.79683%0.825SS**  trans167.9119.3136.2-85.7160.8000113.4
73N47.6Very low49.6Very low134 Ų134151.2 Ų151.272%0.71782%0.824SS**  68.4106.6128.1-70.82.8000124.3
74S43.6Very low50.3Low95 Ų95154.5 Ų154.566%0.66483%0.829SS**  49.9107.4117.469.90000120.4
75F44.7Very low50.9Low202 Ų202154.7 Ų154.789%0.88683%0.825SS**PPolyproline II helixtrans-79.2137.2165.4-86.4-89000113.2
76H48.8Very low50.8Low182 Ų182159.7 Ų159.784%0.84383%0.833SS**PPolyproline II helixtrans-74133.4172.9-7810.4000112.2
77R41.9Very low51.3Low244 Ų244156.8 Ų156.892%0.92182%0.824SS**PPolyproline II helixtrans-79.1132.4163.4-72.5-172179-158.2-0.3109.8
78R55.6Low51.5Low235 Ų235153.3 Ų153.389%0.88782%0.819SS**PPolyproline II helixtrans-70.7146.9171.6-71.5-175.7176.1-148.31111.1
79P50.3Low52.1Low123 Ų123160.5 Ų160.580%0.79982%0.822SS**PPolyproline II helixtrans-76.6145.8176.331.5-32.2000111.8
80V60.7Low52.9Low144 Ų144151.3 Ų151.387%0.87381%0.809SS**PPolyproline II helixtrans-73.8130.8174.8176.90000109.4
81L63.1Low53.2Low159 Ų159154.5 Ų154.583%0.83282%0.817SS**PPolyproline II helixtrans-79.8143172.3-82.6156.4000110.6
82P67.7Low54.1Low101 Ų101157.6 Ų157.666%0.65682%0.823SS**PPolyproline II helixtrans-73.8160.3173.631.6-33.5000111.9
83P60.7Low54.6Low128 Ų128159.1 Ų159.183%0.83183%0.827SS**PPolyproline II helixtrans-70.1135.1-177.630-33.4000110.9
84V61.2Low54.6Low142 Ų142162.1 Ų162.186%0.86184%0.836SS**PPolyproline II helixtrans-88.2120.3175.7176.50000108.5
85E59.6Low55.4Low182 Ų182163.2 Ų163.285%0.8584%0.841SS**PPolyproline II helixtrans-69.9140.5172.2-70.4177.7158.100111.2A87E85-A87 PolarHBondContact O-N 2.91Å
86E45.5Very low55.9Low196 Ų196158.9 Ų158.992%0.91684%0.836SS**PPolyproline II helixtrans-62120.7-178.9-65.8171.6151.500111.9
87A58.9Low55.8Low87 Ų87157.9 Ų157.972%0.71984%0.837SS**  trans-121110.1166.400000110E85E85-A87 PolarHBondContact O-N 2.91Å
88H47.7Very low56.3Low186 Ų186153.5 Ų153.586%0.86183%0.831SS**  trans-57126.6169.2-74-32.8000112.4
89Y58.8Low56Low231 Ų231155 Ų15591%0.90684%0.837SS**  trans-140.2131.2155.7-91.9-83.7000110.5
90G60.8Low55.7Low67 Ų67153.6 Ų153.669%0.69184%0.836SS**  trans-79.1-176.5-172.500000115.5
91P53.9Low55.4Low136 Ų136155.5 Ų155.588%0.88384%0.835SS**  trans-87137-161.434.4-31.9000111.6
92M59.7Low54.8Low183 Ų183155.8 Ų155.890%0.90184%0.838SS**  trans-142.1101.4167.6-143.9172.8-175.400111.4
93E55.1Low53.8Low185 Ų185162.9 Ų162.986%0.86485%0.851SS**  trans16.9127.4149.4-59.2179.216900120.9
94Q48.2Very low53.3Low197 Ų197168.1 Ų168.192%0.92186%0.855SS**  trans-74154167.7-68-178.5-32.200112.5
95P60.9Low52.8Low118 Ų118168.7 Ų168.777%0.76685%0.853SS**  trans-124.7127.914331.4-17.4000113.5
96S54.9Low52.4Low110 Ų110172 Ų17277%0.76986%0.858SS**  trans7.6131.6152.358.20000122.1
97N47.4Very low52.8Low161 Ų161171.6 Ų171.686%0.86186%0.856SS**  trans-45.4136.5157.6-70.6-35.4000114.4
98D51Low52.5Low152 Ų152172.9 Ų172.981%0.81386%0.856SS**  trans-169.257.5161-110.7-7.8000114.2
99W50.3Low52.7Low267 Ų267172.9 Ų172.9100%1.01186%0.859SS**  trans-13834.4177.3-88.973.3000115.5
100A44.6Very low52.3Low93 Ų93166.3 Ų166.377%0.76985%0.847SS**  trans-86.7149.8160.100000110
101E52.8Low51.6Low184 Ų184169.2 Ų169.286%0.8685%0.851SS**  trans84.970.6172.7-52-173157.600118.3
102N51.7Low51.2Low166 Ų166174.6 Ų174.689%0.88885%0.854SS**  trans-166.257.2146.7-113.8-23.6000115.9
103R47.1Very low50.5Low249 Ų249170.9 Ų170.994%0.9485%0.852SS**  trans-144.570.1164.4-70.1-165.3-172.7178.65.8112.6
104R48.7Very low50.2Low238 Ų238165.4 Ų165.490%0.89885%0.846SS**  trans-121.6143.7154.1-69-172.5-164.2-162.65.7108.2
105N51.2Low50.1Low155 Ų155166 Ų16683%0.82985%0.845SS**  trans8195.3179.8-61.3-17.5000116.8
106R51.7Low50Low252 Ų252171.7 Ų171.795%0.95185%0.852SS**  -167.3112.2124.6-101.6166.6-152.8-158.27110.8
107H54.5Low49.7Very low187 Ų187172.5 Ų172.587%0.86685%0.854SS**  trans-64.1157.5169.9-87.4-71.3000112.6
108P51.8Low49.8Very low113 Ų113176.9 Ų176.973%0.73486%0.859SS**  trans-92.5141.4-173.936.1-30.7000112.2
109M52.3Low49.7Very low187 Ų187174.6 Ų174.692%0.92186%0.855SS**  trans-129102.6166.3-88.3-89.9163.100108.9
110S49.3Very low49.3Very low93 Ų93166.8 Ų166.865%0.6584%0.841SS**  trans28.4131.7133.6-173.20000120.3
111T45.7Very low49.5Very low128 Ų128174.2 Ų174.279%0.78585%0.849SS**  trans67.3112.7148.849.70000118.4
112R45.9Very low49.3Very low248 Ų248172.1 Ų172.194%0.93684%0.844SS**  161.9134.7103-169.8167.3-176.3175.5-0.4110.3
113A45.8Very low49.1Very low105 Ų105170.7 Ų170.787%0.86884%0.841SS**  trans-48.2141.7179.800000114.3
114G48.8Very low49.1Very low70 Ų70170.7 Ų170.772%0.72284%0.841SS**  trans-173.499176.100000112.2
115F46.2Very low48.9Very low209 Ų209170.9 Ų170.992%0.91784%0.842SS**  trans-29133.8163.3-96.8-115.1000114.3
116R57.6Low48.7Very low239 Ų239171.3 Ų171.390%0.90284%0.839SS**  trans-126.9128.1158.1-74.9-166.6176-1450.5110.4
117P49.6Very low49.1Very low126 Ų126168.5 Ų168.582%0.81884%0.837SS**PPolyproline II helixtrans-82.6143.1175.233.3-30.4000110.7
118R48.8Very low48.8Very low253 Ų253169.1 Ų169.196%0.95583%0.833SS**PPolyproline II helixtrans-70.9127.4171.1-94.2-178.4167.9-144.7-1110.1
119S48.8Very low49.2Very low105 Ų105169.3 Ų169.373%0.73483%0.831SS**PPolyproline II helixtrans-70.4138.9174.242.60000112.2
120S43.4Very low49.4Very low102 Ų102169.2 Ų169.271%0.71383%0.829SS**PPolyproline II helixtrans-62.9132.4170.849.20000112.4
121W47.7Very low50Low249 Ų249174.8 Ų174.894%0.94384%0.837SS**  trans-107131.6159.2-9073.4000110.1
122N49.4Very low51Low140 Ų140173.8 Ų173.875%0.74983%0.833SS**  trans-72.8143.6-165.4-79.5-41.6000113.9
123T46.4Very low51.9Low137 Ų137167.5 Ų167.584%0.8482%0.824SS**  trans-34.9125.7153.143.70000114.7
124R48.2Very low53.1Low248 Ų248168.9 Ų168.994%0.93682%0.824SS**  trans-12793.4156.6-162.6174.3-168.1-179.32.3110
125R44.5Very low53.4Low243 Ų243174 Ų17492%0.91783%0.834SS**  trans21.9120.1147.4-110.8175.6-168-150.12.2119.3
126E46.4Very low53.5Low163 Ų163167.7 Ų167.776%0.76283%0.828SS**  trans-65.1135.3160.4-61.3167.4148.600111.5Y128E126-Y128 HydrophobicContact CB-CD2 4.46Å
127E60.1Low52.9Low193 Ų193166.4 Ų166.490%0.90283%0.829SS**  trans-122110.2153-95.9179.9176.600107.3
128Y48.1Very low52.9Low201 Ų201172 Ų17279%0.78883%0.834SS**  trans-77.8126.2171.5-94.7-102.1000109E126E126-Y128 HydrophobicContact CB-CD2 4.46Å
129V60.4Low52.9Low116 Ų116171.6 Ų171.670%0.70383%0.833SS**  trans-112.6107.1160.9179.50000107.8Y131V129-Y131 HydrophobicContact CG1-CD2 4.01Å; V129-Y131 HydrophobicContact CG1-CE2 3.63Å
130E56.5Low52.8Low186 Ų186173.2 Ų173.287%0.86983%0.832SS**  trans-65.3127.6173.1-123.6172.3170.300110.3
131Y61.7Low53.4Low209 Ų209177.7 Ų177.782%0.8284%0.842SS**  trans-125.3140.3162.2-85.4-82.2000110.2V129V129-Y131 HydrophobicContact CG1-CD2 4.01Å; V129-Y131 HydrophobicContact CG1-CE2 3.63Å
132P67Low53.4Low108 Ų108173.7 Ų173.770%0.70183%0.833SS**PPolyproline II helixtrans-81.2156.4-165.233.5-35.5000112.9
133P64.6Low53.7Low116 Ų116173.5 Ų173.575%0.75384%0.838SS**PPolyproline II helixtrans-77.5144.3178.931.5-33.2000111.8L135P133-L135 PolarHBondContact O-N 3.25Å
134P71Confident53.9Low133 Ų133176.1 Ų176.186%0.86484%0.84SS**PPolyproline II helixtrans-75.1122.5176.828.5-30.7000111.5
135L54.1Low54.5Low178 Ų178175.3 Ų175.393%0.93284%0.837SS**PPolyproline II helixtrans-70.9135.6167.5-69.4164.2000110.4P133P133-L135 PolarHBondContact O-N 3.25Å
136G50Low55.7Low77 Ų77169.8 Ų169.879%0.79483%0.833SS**  trans170.954.2171.100000116.3R138G136-R138 PolarHBondContact O-N 3.46Å
137K45.1Very low56.5Low212 Ų212173.2 Ų173.292%0.92284%0.841SS**  trans-72.8117.3163.7-67.3179.5179.7179.40109
138R48Very low57Low244 Ų244166.8 Ų166.892%0.92183%0.826SS**  trans-133.9110.2156.8-83.1-170.7175.4-176-0.6110.1G136G136-R138 PolarHBondContact O-N 3.46Å
139R50.2Low58.4Low244 Ų244163.6 Ų163.692%0.92183%0.83SS**  trans17.1111.3139.2-105.7168.3170.2157.6-2.7115.1
140L46.7Very low59.3Low139 Ų139162.2 Ų162.273%0.72883%0.831SS**  63.488.767.9-151.3143.6000111.9
141E55.2Low60.3Low195 Ų195158.7 Ų158.791%0.91182%0.824SS**  trans-137.2131147.8-79.8-172.1174.700108.7
142E48Very low61.2Low165 Ų165152.9 Ų152.977%0.77181%0.812SS**  trans-77.2129.9-170-65.3147.9163.800110.2
143T56.4Low61.7Low136 Ų136150.1 Ų150.183%0.83480%0.795SS**  trans-137.3103.3154.235.30000108.8R145T143-R145 PolarHBondContact O-N 3.06Å
144E48.9Very low62.1Low193 Ų193150 Ų15090%0.90279%0.794SS**  trans-52.3122.2175.6-58.8175.2153.100110.6
145R61.8Low62.2Low230 Ų230151.7 Ų151.787%0.86879%0.791SS**  trans-111.7130.6158.5-80.6-171.5179.3-177.82.4108.5T143 Y147T143-R145 PolarHBondContact O-N 3.06Å; R145-Y147 PolarHBondContact O-N 3.05Å
146P69.7Low62.9Low128 Ų128148.9 Ų148.983%0.83178%0.777SS**PPolyproline II helixtrans-66.9132.9-174.426.1-31.8000110.6G148P146-G148 PolarHBondContact O-N 3.23Å
147Y63.6Low63.4Low235 Ų235154.6 Ų154.692%0.92277%0.774SS**PPolyproline II helixtrans-56.7122.2174.8-81.8-97.2000110.5R145R145-Y147 PolarHBondContact O-N 3.05Å
148G69.4Low64Low58 Ų58152.2 Ų152.260%0.59877%0.766SS**PPolyproline II helixtrans-66.7150.1159.600000109.9P146 A150P146-G148 PolarHBondContact O-N 3.23Å; G148-A150 PolarHBondContact O-N 2.82Å
149P78.2Confident64.3Low133 Ų133150.9 Ų150.986%0.86476%0.763SS**PPolyproline II helixtrans-58134.6-177.123.8-32.9000111
150A78.5Confident64.6Low88 Ų88148.9 Ų148.973%0.72776%0.764SS**PPolyproline II helixtrans-58.6139176.500000110.4G148G148-A150 PolarHBondContact O-N 2.82Å
151P78.3Confident64.9Low112 Ų112154.1 Ų154.173%0.72777%0.774SS**PPolyproline II helixtrans-60.2139.5170.925.5-32000109.4
152P81.6Confident64.5Low86 Ų86153.4 Ų153.456%0.55877%0.77SS**PPolyproline II helixtrans-60.1143.2-178.323-32.3000111.5
153S75.6Confident64.5Low50 Ų50151.8 Ų151.835%0.3578%0.777SS.*PPolyproline II helixtrans-48.2143.4174.4166.90000111.3E155 D156S153-E155 PolarHBondContact O-N 3.19Å; S153-E155 VanDerWaalsContact O-N 3.07Å; S153-E155 PolarHBondContact OG-N 3.24Å; S153-D156 PolarHBondContact O-N 3.45Å; S153-D156 VanDerWaalsContact O-N 3.08Å
154P74.5Confident64Low113 Ų113150.4 Ų150.473%0.73477%0.773SS**G310 helixtrans-54.3-25.8174.6-22.832.2000113.9
155E73.2Confident63.6Low169 Ų169153.7 Ų153.779%0.7978%0.778SS**G310 helixtrans-76-22.3-179-68.7175.7163.800113S153 R157S153-E155 PolarHBondContact O-N 3.19Å; S153-E155 VanDerWaalsContact O-N 3.07Å; S153-E155 PolarHBondContact OG-N 3.24Å; E155-R157 VanDerWaalsContact C-N 3.33Å; E155-R157 PolarHBondContact O-N 3.08Å
156D68.7Low63.3Low119 Ų119151.5 Ų151.564%0.63677%0.774SS**G310 helixtrans-83.4-5.6179.1-68.8-36.6000113.6S153 H158S153-D156 PolarHBondContact O-N 3.45Å; S153-D156 VanDerWaalsContact O-N 3.08Å; D156-H158 PolarHBondContact O-N 3.29Å
157R59.9Low62.6Low197 Ų197153.7 Ų153.774%0.74377%0.774SS**G310 helixtrans-75-4.1179.8-71.4-173.3-175.4-177.51.6114.3E155E155-R157 VanDerWaalsContact C-N 3.33Å; E155-R157 PolarHBondContact O-N 3.08Å
158H58.6Low62.2Low163 Ų163149.1 Ų149.176%0.75577%0.77SS**G310 helixtrans-98.31.2-169.2-115.6-65.9000117D156D156-H158 PolarHBondContact O-N 3.29Å
159Y53.9Low61.9Low216 Ų216151.5 Ų151.585%0.84778%0.775SS**SBendtrans-138.573.5-177.4-83.9-86.2000113.7
160Q56.1Low60.9Low201 Ų201154.2 Ų154.294%0.93978%0.776SS**SBendtrans-150.111.1160.1-85.3-156.6-10.900115.4
161R53.3Low60Low249 Ų249154.4 Ų154.494%0.9478%0.777SS**SBendtrans-98.67.7-175-143.3177.8-168.1-115.60.3116.5
162E46.7Very low58.8Low180 Ų180156 Ų15684%0.84178%0.78SS**SBendtrans-139.496.3-179.8-65.5179.8-172.100109.4
163S47.8Very low57.4Low131 Ų131160.2 Ų160.292%0.91679%0.794SS**  trans160.170.2156-75.30000111.1
164S45.5Very low56.4Low108 Ų108166.8 Ų166.876%0.75582%0.819SS**  trans-167.653.8159.3179.80000110.5
165W41.8Very low55.4Low262 Ų262171.1 Ų171.199%0.99282%0.821SS**  trans-134.379.9160.3-70.297000106.1
166K54.9Low54.2Low183 Ų183174.6 Ų174.680%0.79683%0.827SS**  trans-128.9111.4166.2-110.1-178.6176-175.60106.8
167E54.3Low53.5Low175 Ų175177.3 Ų177.382%0.81884%0.836SS**  trans54.784.7151.7-64.5165.4-158.500115.8
168V55.2Low53.2Low138 Ų138175 Ų17584%0.83683%0.834SS**  trans-105.7120.5148.8-1790000107
169P63.8Low52.7Low109 Ų109179 Ų17971%0.70884%0.842SS**  trans-64.7140.2-174.321.3-30000113A171P169-A171 PolarHBondContact O-N 3.5Å
170E57.3Low52.8Low190 Ų190174.3 Ų174.389%0.88884%0.841SS**SBendtrans-64.210.3-173.4-71.4175.814600116.3N172E170-N172 PolarHBondContact O-N 2.87Å
171A58.6Low52.6Low91 Ų91175.1 Ų175.175%0.75284%0.836SS**THydrogen-bonded Turntrans-92.419.7-16500000116.6P169P169-A171 PolarHBondContact O-N 3.5Å
172N54.5Low52.6Low145 Ų145171 Ų17178%0.77583%0.832SS**THydrogen-bonded Turntrans-133.822.4-173.6-104.8-10.5000116.7E170E170-N172 PolarHBondContact O-N 2.87Å
173M51.6Low52.8Low175 Ų175174 Ų17486%0.86284%0.836SS**G310 helixtrans-82.5-1.6178.3-72.1-158.8-153.300116
174E55.2Low53.5Low189 Ų189173.3 Ų173.388%0.88383%0.828SS**G310 helixtrans-87.3-3.1-173.3-81.8-176.9158.200116.5
175W51.5Low53.7Low203 Ų203174.3 Ų174.377%0.76983%0.83SS**G310 helixtrans-96.815.4-172.5-9289.2000116.9
176R49.9Very low54.5Low242 Ų242168.3 Ų168.391%0.91382%0.822SS**SBendtrans-1135.4-173.3-133.1176.6-154.7-118.82.1117.4
177E54.1Low54.3Low177 Ų177166.3 Ų166.383%0.82783%0.825SS**SBendtrans-104.6-3.5-178.5-71.1-167.3158.500116
178E51.7Low54.6Low148 Ų148160.6 Ų160.669%0.69281%0.813SS**G310 helixtrans-91.9-8.4-171.5-101.8178.7168.400117S180E178-S180 PolarHBondContact O-N 3.49Å
179W49.8Very low54.9Low246 Ų246160.2 Ų160.293%0.93281%0.814SS**G310 helixtrans-87.66.7-175.7-81.974.8000116
180S55.3Low54.4Low118 Ų118166.3 Ų166.383%0.82582%0.823SS**G310 helixtrans-106.58.8-175.7-60.80000115.2E178E178-S180 PolarHBondContact O-N 3.49Å
181R52.5Low54.9Low219 Ų219163.4 Ų163.483%0.82682%0.82SS**SBendtrans-108.6-9.3-171-80.1-174.1175.3149.42.3118.3
182D51.8Low54.9Low162 Ų162170.6 Ų170.687%0.86683%0.828SS**  trans-120.983.2-178.3-68.3-34.8000112.9
183R51.6Low54.6Low242 Ų242174.4 Ų174.491%0.91383%0.831SS**  trans-127.3116.2156.1-117.9-173.9-168.6-150.73.8109.5T185R183-T185 PolarHBondContact O-N 3.28Å
184P63.4Low54.7Low117 Ų117173.4 Ų173.476%0.7683%0.826SS**  trans-69.8124.2-178.426.1-31.5000110.9V186P184-V186 PolarHBondContact O-N 3.45Å
185T50.1Low54.6Low130 Ų130170.8 Ų170.880%0.79882%0.818SS**  trans-71.6103.3167.234.40000109.6R183 T187R183-T185 PolarHBondContact O-N 3.28Å; T185-T187 PolarHBondContact O-N 2.86Å
186V57.1Low55Low136 Ų136170.8 Ų170.882%0.82482%0.82SS**  trans-91.689.4168.5-179.20000108.6P184 G188P184-V186 PolarHBondContact O-N 3.45Å; V186-G188 PolarHBondContact O-N 3.25Å
187T51.5Low55.1Low140 Ų140168.3 Ų168.386%0.85982%0.818SS**  trans-80.9101.5163.442.90000109T185T185-T187 PolarHBondContact O-N 2.86Å
188G59.4Low54.9Low55 Ų55168 Ų16857%0.56782%0.817SS**  trans-122.5138.3172.600000111.1V186V186-G188 PolarHBondContact O-N 3.25Å
189P62.4Low55.3Low130 Ų130167 Ų16784%0.84482%0.823SS**PPolyproline II helixtrans-73.8133.9-171.729-32.5000112.2
190R54.1Low55.2Low238 Ų238163.1 Ų163.190%0.89882%0.818SS**PPolyproline II helixtrans-65.3131.3172.7-76.9-175.5171.1-175.4-1.3110.7
191P67.6Low54.9Low128 Ų128168.9 Ų168.983%0.83182%0.821SS**PPolyproline II helixtrans-66.3144.3173.8-15.528.5000112
192R57.2Low54.5Low243 Ų243169.9 Ų169.992%0.91783%0.825SS**PPolyproline II helixtrans-69.3149.8177-75.1-179.5170-178.1-3.3112.2
193R48.2Very low54.2Low224 Ų224165.6 Ų165.685%0.84582%0.819SS**  trans-39.7134.2164.2-80.5179171178.6-4.7112.2
194M54.4Low53.9Low155 Ų155164.1 Ų164.176%0.76482%0.819SS**  trans-107.6119.6150.6-101.2-163.5175.400107.6Y196M194-Y196 HydrophobicContact CB-CD2 4.45Å; M194-Y196 HydrophobicContact CB-CE2 4.39Å; M194-Y196 HydrophobicContact SD-CE2 3.61Å
195D53.6Low52.9Low133 Ų133166.9 Ų166.971%0.71182%0.824SS**  trans-75.7128166.8-56.4-50.9000108.2
196Y60Low52.6Low204 Ų204166 Ų16680%0.882%0.823SS**  trans-130.1118.2161.7-86.1-76000108.5M194M194-Y196 HydrophobicContact CB-CD2 4.45Å; M194-Y196 HydrophobicContact CB-CE2 4.39Å; M194-Y196 HydrophobicContact SD-CE2 3.61Å
197E52Low52Low189 Ų189164.6 Ų164.688%0.88382%0.82SS**  trans-65.6149.2176.4-64176.2148.500111.8
198E50.4Low51.7Low170 Ų170168.7 Ų168.779%0.79482%0.819SS**  trans-55.8162.6174.2-63.3-176.7150.800113.3
199P59.6Low51Low127 Ų127172.6 Ų172.683%0.82583%0.827SS**  -142.2142.1111.530.6-13.9000115.5
200M47.7Very low50.3Low166 Ų166176 Ų17682%0.81883%0.832SS**  trans-39.8138.4164.2-61.8-177.1178.800114.4
201R48.4Very low49.8Very low239 Ų239172 Ų17290%0.90283%0.827SS**  trans-168.5114.1134.5-107.3168.2-166.9-1255.2113.8
202R44.7Very low48.5Very low240 Ų240176.3 Ų176.391%0.90683%0.827SS**  trans25.3125.1139.5-60.9-177.5-158-175.34.8118.6
203G44.4Very low47.9Very low71 Ų71170.4 Ų170.473%0.73282%0.818SS**  trans-70.4174.8178.300000116.5
204F45.2Very low47.7Very low212 Ų212169.2 Ų169.293%0.9382%0.815SS**  trans-159.5141.1145.3-126.6-92.2000108.1
205M42.7Very low47Very low174 Ų174170.8 Ų170.886%0.85782%0.818SS**  trans-65.3154.6178.7-55.6-175.280.500111.4
206S45.1Very low46.3Very low111 Ų111175.3 Ų175.378%0.77683%0.825SS**  136.4137.6119.5-149.60000114.9
207S43.2Very low45.6Very low108 Ų108175 Ų17576%0.75583%0.831SS**  trans70.5110.5161.370.70000118.1
208R46.5Very low45.2Very low226 Ų226172.8 Ų172.885%0.85383%0.829SS**  81.1117.267.5-144.3-174.7-167.6166.82.9112.9
209N43.5Very low44.8Very low136 Ų136168.7 Ų168.773%0.72783%0.825SS**  trans76.295.3158.4-63.2-17000118.7
210E47.9Very low43.9Very low202 Ų202172.5 Ų172.594%0.94483%0.829SS**  trans-129.3129.7138.6-75.5-166.2163.600111.2
211L43.4Very low43.6Very low153 Ų153173.4 Ų173.480%0.80183%0.831SS**  trans-83.3138.6-175.1-85.9138.4000111.3
212R40.7Very low43.2Very low219 Ų219168.3 Ų168.383%0.82683%0.827SS**  trans10.1114.8137.2-78.5179.1165.4170.5-2.7116.9
213V44.3Very low42.8Very low120 Ų120165 Ų16573%0.72782%0.819SS**  trans-141.7109.9155.3163.80000110.7
214Y43.3Very low42.8Very low199 Ų199168.6 Ų168.678%0.7883%0.827SS**  trans71.4113.8142.6-69.9-108.3000121.5
215F40.5Very low42.4Very low187 Ų187166.2 Ų166.282%0.8282%0.816SS**  82.9104.171.1-110.6-89.7000114.8
216R39.3Very low42.2Very low229 Ų229163.3 Ų163.386%0.86481%0.813SS**  164.7100.9129.6-106.3178.2162.5-175.4-3.4111.9
217Q45.7Very low42Very low198 Ų198168.1 Ų168.193%0.92581%0.814SS**  trans-170.485.6137.7-145.497.316.100107.8
218V42.7Very low42.2Very low141 Ų141172.4 Ų172.486%0.85582%0.822SS**  trans-126.5121.5169.2173.50000106.6
219A42.3Very low42.1Very low85 Ų85170.9 Ų170.970%0.70282%0.817SS**  trans151.4105.2139.400000109.8
220F40.1Very low42.3Very low207 Ų207170.3 Ų170.391%0.90882%0.82SS**  -175.5141.9129-117.1-93.1000108.8
221Q41.8Very low42.4Very low184 Ų184167.6 Ų167.686%0.8682%0.817SS**  trans80.574.6173.5-79.2170.3-6.400119.1
222T40.1Very low42.4Very low132 Ų132162.6 Ų162.681%0.8180%0.803SS**  trans-71155.7134.638.80000111
223F35.5Very low42.5Very low171 Ų171163.8 Ų163.875%0.7581%0.809SS**  trans94.578.3150.3-128.8-92.6000119.4F225F223-F225 AromaticContact CE1-CD2 3.93Å; F223-F225 HydrophobicContact CE1-CD2 3.93Å; F223-F225 AromaticContact CE1-CE2 3.83Å; F223-F225 HydrophobicContact CE1-CE2 3.83Å; F223-F225 HydrophobicContact CZ-CD2 4.48Å; F223-F225 HydrophobicContact CZ-CE2 4.09Å
224V44Very low42.8Very low146 Ų146168.9 Ų168.989%0.88582%0.817SS**  trans-140.7102.8136.8-177.40000110.2
225F38.7Very low42.9Very low163 Ų163162.9 Ų162.972%0.71582%0.815SS**  trans6.9124.9149-101.5-102.8000120.9F223F223-F225 AromaticContact CE1-CD2 3.93Å; F223-F225 HydrophobicContact CE1-CD2 3.93Å; F223-F225 AromaticContact CE1-CE2 3.83Å; F223-F225 HydrophobicContact CE1-CE2 3.83Å; F223-F225 HydrophobicContact CZ-CD2 4.48Å; F223-F225 HydrophobicContact CZ-CE2 4.09Å
226S37.9Very low43Very low113 Ų113166 Ų16679%0.7982%0.822SS**  trans-25.1128.4147.4-500000115.8
227R41Very low43.4Very low212 Ų212158.4 Ų158.480%0.881%0.814SS**  trans-153.564.3155.7-131.7177.2-176.2-177.83.3111.2R229R227-R229 PolarHBondContact O-N 2.95Å
228E46.3Very low43.3Very low197 Ų197157.3 Ų157.392%0.92181%0.809SS**  trans-65.5111.2158.7-73.5-177.4170.200107.9
229R45.5Very low43.5Very low195 Ų195158.4 Ų158.474%0.73681%0.809SS**  trans-87.4128.3171.2-71.7-171.3-179.8-159.52.4108.6R227 V231R227-R229 PolarHBondContact O-N 2.95Å; R229-V231 PolarHBondContact O-N 3.49Å
230P48Very low43.6Very low123 Ų123162.2 Ų162.280%0.79981%0.809SS**  trans-74.6118.2163.130.1-28.9000108.1G232P230-G232 PolarHBondContact O-N 3.47Å
231V49.1Very low44Very low145 Ų145163.6 Ų163.688%0.87981%0.81SS**  trans-76.5105.6170.3-177.90000107.2R229R229-V231 PolarHBondContact O-N 3.49Å
232G42.8Very low44Very low49 Ų49158.3 Ų158.351%0.50581%0.805SS.*  trans-70.7147.9-17600000114.1P230 Y234P230-G232 PolarHBondContact O-N 3.47Å; G232-Y234 PolarHBondContact O-N 3.34Å
233Y43.4Very low44.3Very low244 Ų244161.7 Ų161.796%0.95781%0.812SS**  trans-57.4117.4161.9-85.8-105.6000110.9
234Y50.9Low44.8Very low226 Ų226164.9 Ų164.989%0.88682%0.819SS**  trans-122.1133.6154.6-69.7-86.8000105.1G232G232-Y234 PolarHBondContact O-N 3.34Å
235G45.4Very low44.6Very low73 Ų73169 Ų16975%0.75382%0.818SS**  cis134.789.734.200000104.1G237G235-G237 PolarHBondContact O-N 2.82Å
236R42Very low45Very low254 Ų254170 Ų17096%0.95882%0.822SS**  trans-76.698-173.5-165.3-173.3-77.4-140.71.5108.3
237G48.6Very low45.4Very low69 Ų69172.7 Ų172.771%0.71183%0.828SS**  trans-93.7117.4174.100000111.2G235G235-G237 PolarHBondContact O-N 2.82Å
238E43.8Very low46Very low175 Ų175171.2 Ų171.282%0.81882%0.822SS**  trans-68.8129.2171.2-63.9-179.7157.800110.6
239I46.4Very low45.8Very low164 Ų164167.9 Ų167.984%0.84182%0.818SS**  trans-126.7107.6165.5-60.1179.7000107.9
240K45.3Very low45.8Very low165 Ų165165.5 Ų165.572%0.71781%0.813SS**  trans-73.6174.7164.8-72.8176.3177.2171.70109.7
241Y48.5Very low45.7Very low236 Ų236162.3 Ų162.393%0.92580%0.803SS**  trans87121-173.5-46.7-68.8000111.9
242G41Very low45.5Very low72 Ų72164.6 Ų164.674%0.74280%0.804SS**  cis145.478.417.100000107.1
243Q45.7Very low45.8Very low204 Ų204169.2 Ų169.295%0.95381%0.812SS**  trans-100.5106.5174.3-90.4-175.1-10.800110.9
244R46.9Very low46.1Very low238 Ų238163.2 Ų163.290%0.89880%0.801SS**  trans-64.2123.3169.2-68.3177.2176.5-160.7-1.3109.8
245R39.9Very low46Very low233 Ų233162.4 Ų162.488%0.87980%0.802SS**  trans16.2109.8137.1-57.9-175-179.9-162.7-0.8116.6
246F46.5Very low46.3Very low183 Ų183170 Ų17080%0.80381%0.808SS**  trans-14673.9140.6-101.5-78.9000110.1
247N46.4Very low46.9Very low170 Ų170163.3 Ų163.391%0.90980%0.798SS**  trans-86.4104.1149.4-87.6-22.3000106.6
248R52.8Low46.9Very low180 Ų180168 Ų16868%0.67981%0.805SS**  trans-125.9108.7161.7-103.1-175.8-179.5-161.61.8108F250R248-F250 HydrophobicContact CB-CD2 4.45Å
249P43.6Very low47.4Very low127 Ų127171.1 Ų171.183%0.82581%0.809SS**  trans-79.3115.7162.431.8-24.8000106.5
250F45.3Very low47.4Very low146 Ų146174 Ų17464%0.6481%0.809SS**  trans-101104172.6-115.1-89000108.8R248R248-F250 HydrophobicContact CB-CD2 4.45Å
251G45.4Very low47.7Very low56 Ų56178.3 Ų178.358%0.57782%0.821SS**  trans-74.9161.316400000111.9E253G251-E253 PolarHBondContact O-N 2.91Å
252E45Very low47.8Very low193 Ų193173.7 Ų173.790%0.90281%0.812SS**  trans22.593.5149.6-69.2179.2141.900117.6
253E48.5Very low48.5Very low146 Ų146175.8 Ų175.868%0.68282%0.815SS**  trans-128.992.3153.3-83.4-173.9175.600110.3G251G251-E253 PolarHBondContact O-N 2.91Å
254T49.7Very low49.4Very low117 Ų117171.9 Ų171.972%0.71881%0.808SS**  17.5117.9128.849.10000118.2
255K49.7Very low50.2Low210 Ų210166.9 Ų166.991%0.91381%0.806SS**  trans36.790.3135-63.9-179.9179.2177.40116
256R51.7Low50.7Low232 Ų232166.9 Ų166.988%0.87581%0.806SS**  trans-92.6126.5155.8-71.1-172.2178.4-171.81.3110.4
257P53.6Low50.5Low114 Ų114168.7 Ų168.774%0.7481%0.807SS**  trans-83.1147.3175.433.3-31.2000111.2R259P257-R259 PolarHBondContact O-N 3.32Å
258I49.4Very low50.9Low167 Ų167168.5 Ų168.586%0.85681%0.805SS**  trans-48.9114.3172.1-65.6159.1000110.4
259R53.9Low50.8Low240 Ų240164.8 Ų164.891%0.90680%0.802SS**  trans-91.8114.5163.3-78.7-169.6174.8171.6-0.4109.4P257P257-R259 PolarHBondContact O-N 3.32Å
260R45.6Very low51.3Low225 Ų225166.6 Ų166.685%0.84981%0.805SS**  trans-59.9132.4164.8-67.1179173.9174.9-1.3109.4
261R53.3Low51.4Low255 Ų255168.7 Ų168.796%0.96282%0.817SS**  trans-99.6110.4165.8-114.6-178.2-176.4-1761.5107.4
262D50Low51.9Low140 Ų140169.6 Ų169.675%0.74983%0.826SS**  trans-95.1145.2166.6-75.3-46.4000110
263S56.3Low52.3Low115 Ų115168 Ų16880%0.80482%0.823SS**  trans90.3119.7157.8-48.90000119.9
264P64.6Low52.9Low122 Ų122168.1 Ų168.179%0.79283%0.829SS**PPolyproline II helixtrans-99.6153.6161.536.2-27.5000112.3
265P62.5Low53Low133 Ų133170.8 Ų170.886%0.86483%0.83SS**PPolyproline II helixtrans-89.8165.3179.435.6-31.8000113.9
266R50.9Low53.2Low234 Ų234166.7 Ų166.788%0.88382%0.823SS**PPolyproline II helixtrans-84.8142.5-163.9-72.4174.6165.1-144.8-1.9115.2
267R42.6Very low53.2Low220 Ų220163.5 Ų163.583%0.8382%0.818SS**  49.2113.4124.4-132.3-178.6-153.4179.14.7119.3
268I53.7Low53Low167 Ų167166.5 Ų166.586%0.85682%0.822SS**  trans-126.6134147.9-65.2178.8000107.9
269V52.6Low53Low101 Ų101167.4 Ų167.461%0.61282%0.823SS**  trans-90.2139-178.6169.80000108.5
270N52.7Low53.1Low165 Ų165165 Ų16588%0.88282%0.822SS**  trans-157.1137.2145.9-93.1-22.7000110.6
271Q47.7Very low53.5Low191 Ų191160.2 Ų160.289%0.89382%0.82SS**  trans-82.8155.9-174.6-65.5167.2-10.900111.3
272G55.5Low53.5Low75 Ų75154 Ų15477%0.77382%0.815SS**  trans167.3104.7169.100000111.3
273D54.4Low53.8Low159 Ų159153.2 Ų153.285%0.8582%0.816SS**  trans-64139.3-177.4-56.2-64.6000113.6
274D59.8Low53.8Low149 Ų149157.3 Ų157.380%0.79782%0.819SS**  -173.8157.8123.2-108.7-31.2000113.1
275K52.7Low53.4Low172 Ų172158.9 Ų158.975%0.74882%0.819SS**  trans-86.7165.3-149.3-64.4152.6175.1166.10115.7
276T52.9Low53.1Low124 Ų124160.7 Ų160.776%0.76182%0.816SS**  trans69.7124.5149.3310000116.1
277E53.2Low53Low166 Ų166161 Ų16178%0.77682%0.817SS**  cis-164.9153.329.4-97.2160.1-168.400111
278Q49.4Very low53.4Low176 Ų176161.9 Ų161.982%0.82282%0.821SS**  trans47.3101.9148.8-62.2-176.33.200119.9
279E49.2Very low53.3Low187 Ų187159.1 Ų159.187%0.87482%0.816SS**  699689.3-82.5-165.4160.500116.5
280E54.5Low53.4Low188 Ų188164 Ų16488%0.87983%0.829SS**  -162.8130.5129-84.7-145153.500110.3
281P54.3Low53.6Low126 Ų126164 Ų16482%0.81883%0.827SS**  trans-105.3106.7174.234.6-25.3000111.9
282S53Low54.3Low123 Ų123159.4 Ų159.486%0.8682%0.816SS**  trans-88.1133.1170.3460000112.3
283V58Low54.7Low124 Ų124161.6 Ų161.675%0.75282%0.817SS**  trans-77.3131.7-160.1171.80000112.9I285V283-I285 PolarHBondContact O-N 2.88Å
284K55.7Low54.8Low202 Ų202160.9 Ų160.988%0.87881%0.812SS**  trans-66.8108.7164.9-71.4172.8178.7171.90110.2Q286K284-Q286 PolarHBondContact O-N 3.32Å
285I55.1Low54.6Low154 Ų154159.6 Ų159.679%0.7981%0.809SS**  trans-8099.3170.9-62.8174.7000109V283 R287V283-I285 PolarHBondContact O-N 2.88Å; I285-R287 PolarHBondContact O-N 3.07Å
286Q57.6Low54.2Low172 Ų172161.1 Ų161.180%0.80482%0.816SS**  trans-74.3114.8163.3-88.7-178.2-10.100109.7K284 R288K284-Q286 PolarHBondContact O-N 3.32Å; Q286-R288 PolarHBondContact O-N 2.99Å; Q286-R288 VanDerWaalsContact O-N 3.08Å
287R49.3Very low54.2Low241 Ų241159.6 Ų159.691%0.90981%0.811SS**  trans-61.2103.9167-74.4177.5152.9179.8-6.4110.1I285I285-R287 PolarHBondContact O-N 3.07Å
288R49.6Very low53.9Low238 Ų238159.6 Ų159.690%0.89882%0.816SS**  trans-99.196.8160.6-85.5-173.5170.8-138.60.7109Q286Q286-R288 PolarHBondContact O-N 2.99Å; Q286-R288 VanDerWaalsContact O-N 3.08Å
289S52.9Low54.3Low109 Ų109157.9 Ų157.976%0.76282%0.817SS**  trans-105.882.7166.448.50000109.9
290K54.1Low54.7Low204 Ų204154 Ų15489%0.88781%0.811SS**  trans-154.285.7157.7-68.4-165.2-177.5-179.20108.2
291I57.1Low55.3Low164 Ų164150.8 Ų150.884%0.84181%0.806SS**  trans-107.8110.4162.9-62.7174.6000105.3
292S61.3Low55.8Low95 Ų95150.9 Ų150.966%0.66481%0.807SS**  trans-67147.5169.539.50000110.4I294S292-I294 PolarHBondContact O-N 3.39Å
293P64.1Low55.7Low121 Ų121155.6 Ų155.679%0.78681%0.806SS**  trans-66.5129.9179.427.4-32.1000110.4T295P293-T295 PolarHBondContact O-N 3.4Å
294I56.9Low55.2Low144 Ų144155.6 Ų155.674%0.73880%0.801SS**  trans-76111.8172.1-65.9167.4000107.3S292 F296S292-I294 PolarHBondContact O-N 3.39Å; I294-F296 HydrophobicContact CG2-CD2 4.11Å; I294-F296 HydrophobicContact CG2-CE2 4.38Å
295T55.5Low55Low122 Ų122153.4 Ų153.475%0.74880%0.799SS**  trans-82.1112.2166.6500000108.6P293 S297P293-T295 PolarHBondContact O-N 3.4Å; T295-S297 PolarHBondContact O-N 3.23Å
296F45.1Very low54.9Low204 Ų204150.7 Ų150.790%0.89579%0.794SS**  trans-77.1113.2165.1-103.5-96.7000108.2I294I294-F296 HydrophobicContact CG2-CD2 4.11Å; I294-F296 HydrophobicContact CG2-CE2 4.38Å
297S52.9Low54.4Low92 Ų92147.6 Ų147.664%0.64379%0.791SS**  trans-125.2114.4167.350.30000108.4T295T295-S297 PolarHBondContact O-N 3.23Å
298D47Very low54.5Low166 Ų166144.7 Ų144.789%0.88879%0.793SS**  trans9107.8155.9-59.3-36.6000117.6
299V57.1Low54.3Low140 Ų140136.6 Ų136.685%0.84878%0.783SS**  trans-135.9113.9153.2-176.80000108.3
300S57.3Low54.1Low105 Ų105136.6 Ų136.673%0.73479%0.79SS**PPolyproline II helixtrans-57.3151.1179.2-500000113.2
301P67.1Low53.9Low120 Ų120133 Ų13378%0.77979%0.785SS**PPolyproline II helixtrans-80.6138.1178.931.9-31.9000111.3
302P65.9Low53.5Low128 Ų128137.2 Ų137.283%0.83179%0.79SS**PPolyproline II helixtrans-83.6128.4165.431.9-27.2000109.7
303R49.1Very low53.1Low223 Ų223137.6 Ų137.684%0.84279%0.793SS**PPolyproline II helixtrans-73.4150167.6-92.1-172.4-180-165.40.4111.3
304D47.5Very low52.6Low124 Ų124141 Ų14166%0.66380%0.798SS**  trans61.5115.5150.7-51-24000117.6
305N53.2Low52.4Low156 Ų156137.2 Ų137.283%0.83479%0.788SS**  -172.3109.6125-85.5-31000111.3
306S51.8Low52.5Low97 Ų97135 Ų13568%0.67878%0.778SS**  trans14.5125.2140.142.40000119.8
307S48.3Very low53.6Low106 Ų106130.4 Ų130.474%0.74177%0.768SS**  trans20.3123.2133.361.80000117.7
308L50.5Low54.2Low181 Ų181133.3 Ų133.395%0.94877%0.772SS**  -177.5133.3127.4-94.8167.1000111.7
309G45Very low55.1Low68 Ų68130.2 Ų130.270%0.70175%0.752SS**  trans80.391133.600000118.4V311G309-V311 PolarHBondContact O-N 3.45Å
310A48.4Very low55.7Low109 Ų109132.1 Ų132.190%0.90174%0.744SS**  trans-61.7118.7158.700000111.2
311V50Low56.5Low129 Ų129136.5 Ų136.578%0.78274%0.744SS**  trans-121.7108.9163.1178.90000108.3G309 S313G309-V311 PolarHBondContact O-N 3.45Å; V311-S313 PolarHBondContact O-N 2.94Å
312R49.4Very low57Low251 Ų251136.5 Ų136.595%0.94773%0.734SS**  trans-68.6116.8166.9-88.3173.4159-175.4-4.4108.4
313S52.5Low57.5Low103 Ų103139.1 Ų139.172%0.7273%0.727SS**  trans-130.6148.1161.859.50000110.5V311 A315V311-S313 PolarHBondContact O-N 2.94Å; S313-A315 PolarHBondContact O-N 2.94Å
314H54Low59Low193 Ų193133.4 Ų133.489%0.89471%0.71SS**  trans-60.9112.1-158.4-63.3-93.5000112.9S316H314-S316 PolarHBondContact O-N 3.34Å
315A52.7Low60.6Low65 Ų65130.3 Ų130.354%0.53770%0.701SS.*  trans-69.9119.817900000111.1S313 H319S313-A315 PolarHBondContact O-N 2.94Å; A315-H319 HydrophobicContact CB-CB 3.89Å
316S59Low61.9Low76 Ų76125.8 Ų125.853%0.53169%0.686SS.*  trans-48.6149.6174-172.80000112.6H314 Q318 H319H314-S316 PolarHBondContact O-N 3.34Å; S316-Q318 PolarHBondContact O-N 3.49Å; S316-H319 PolarHBondContact O-N 3.28Å
317P66.1Low63.2Low106 Ų106124.1 Ų124.169%0.68868%0.678SS**Hα-helixtrans-50.7-23.5-177.2-29.635.5000116.1R320 R321P317-R320 PolarHBondContact O-N 2.86Å; P317-R321 PolarHBondContact O-N 3.16Å
318Q67.3Low64.6Low153 Ų153126.1 Ų126.172%0.71567%0.673SS**Hα-helixtrans-64.5-41.6173.5-78.8-178.8-41.600113S316 R320 R321 E322S316-Q318 PolarHBondContact O-N 3.49Å; Q318-R320 PolarHBondContact O-N 3.44Å; Q318-R321 PolarHBondContact O-N 3.41Å; Q318-R321 VanDerWaalsContact O-N 3.13Å; Q318-E322 PolarHBondContact O-N 2.93Å; Q318-E322 VanDerWaalsContact O-N 3.09Å
319H64.9Low65.7Low102 Ų102120.2 Ų120.247%0.47265%0.65SS.*Hα-helixtrans-67.6-26.2178.9-116.2-19.4000112.5A315 S316 E322 R323A315-H319 HydrophobicContact CB-CB 3.89Å; S316-H319 PolarHBondContact O-N 3.28Å; H319-E322 IonicContact CE1-OE2 3.55Å; H319-E322 IonicContact ND1-OE2 2.94Å; H319-E322 PolarHBondContact ND1-OE2 3.48Å; H319-R323 WeakPolarHBondContact O-CB 3.33Å; H319-R323 WeakPolarHBondContact O-CG 3.34Å; H319-R323 PolarHBondContact O-N 3.49Å
320R70Confident67.1Low180 Ų180119.9 Ų119.968%0.67964%0.641SS**Hα-helixtrans-69.7-38.5173.8-164.8176.4-177.5176.90.1111.4P317 Q318 Q324P317-R320 PolarHBondContact O-N 2.86Å; Q318-R320 PolarHBondContact O-N 3.44Å; R320-Q324 WeakPolarHBondContact O-CB 3.31Å; R320-Q324 VanDerWaalsContact O-CG 3.26Å; R320-Q324 WeakPolarHBondContact O-CG 3.43Å; R320-Q324 PolarHBondContact O-N 2.91Å
321R73.9Confident68.3Low197 Ų197117 Ų11774%0.74362%0.617SS**Hα-helixtrans-67.5-41.3174.6-73.8-175.5175.9177.4-0.4111.8P317 Q318 Q324 A325P317-R321 PolarHBondContact O-N 3.16Å; Q318-R321 PolarHBondContact O-N 3.41Å; Q318-R321 VanDerWaalsContact O-N 3.13Å; R321-Q324 PolarHBondContact O-N 3.28Å; R321-A325 WeakPolarHBondContact O-CB 3.38Å; R321-A325 PolarHBondContact O-N 2.97Å
322E77.8Confident69.1Low119 Ų119115.8 Ų115.856%0.55661%0.61SS**Hα-helixtrans-63.3-45.1174.3-76177.3160.600112.5Q318 H319 Q324 A325 A326Q318-E322 PolarHBondContact O-N 2.93Å; Q318-E322 VanDerWaalsContact O-N 3.09Å; H319-E322 IonicContact CE1-OE2 3.55Å; H319-E322 IonicContact ND1-OE2 2.94Å; H319-E322 PolarHBondContact ND1-OE2 3.48Å; E322-Q324 VanDerWaalsContact C-N 3.31Å; E322-Q324 PolarHBondContact O-N 3.47Å; E322-A325 PolarHBondContact O-N 3.49Å; E322-A326 WeakPolarHBondContact O-CB 3.16Å; E322-A326 PolarHBondContact O-N 3.38Å
323R77Confident69.9Low184 Ų184113.6 Ų113.669%0.69460%0.601SS**Hα-helixtrans-62.2-38.2174.7-79.2-175.1179.3-177.51.1112.3H319 A327H319-R323 WeakPolarHBondContact O-CB 3.33Å; H319-R323 WeakPolarHBondContact O-CG 3.34Å; H319-R323 PolarHBondContact O-N 3.49Å; R323-A327 VanDerWaalsContact O-CB 3.26Å; R323-A327 WeakPolarHBondContact O-CB 3.42Å; R323-A327 PolarHBondContact O-N 2.69Å
324Q80.7Confident70.3Confident102 Ų102113.2 Ų113.248%0.47760%0.599SS.*Hα-helixtrans-68.8-38.5175.2-75.7177.93.800112.3R320 R321 E322 A327 K328R320-Q324 WeakPolarHBondContact O-CB 3.31Å; R320-Q324 VanDerWaalsContact O-CG 3.26Å; R320-Q324 WeakPolarHBondContact O-CG 3.43Å; R320-Q324 PolarHBondContact O-N 2.91Å; R321-Q324 PolarHBondContact O-N 3.28Å; E322-Q324 VanDerWaalsContact C-N 3.31Å; E322-Q324 PolarHBondContact O-N 3.47Å; Q324-A327 PolarHBondContact O-N 3.27Å; Q324-K328 WeakPolarHBondContact O-CB 3.43Å; Q324-K328 VanDerWaalsContact O-CG 3.31Å; Q324-K328 WeakPolarHBondContact O-CG 3.45Å; Q324-K328 PolarHBondContact O-N 3.42Å
325A79.9Confident70.8Confident59 Ų59112.4 Ų112.449%0.48859%0.593SS.*Hα-helixtrans-65.5-4317400000111.4R321 E322 K328 A329R321-A325 WeakPolarHBondContact O-CB 3.38Å; R321-A325 PolarHBondContact O-N 2.97Å; E322-A325 PolarHBondContact O-N 3.49Å; A325-K328 PolarHBondContact O-N 3Å; A325-A329 WeakPolarHBondContact O-CB 3.4Å; A325-A329 PolarHBondContact O-N 3.43Å
326A80.1Confident71.3Confident62 Ų62111 Ų11151%0.51258%0.581SS.*Hα-helixtrans-63.8-42174.800000112.1E322 A329 A330E322-A326 WeakPolarHBondContact O-CB 3.16Å; E322-A326 PolarHBondContact O-N 3.38Å; A326-A329 PolarHBondContact O-N 3.07Å; A326-A330 WeakPolarHBondContact O-CB 3.42Å; A326-A330 PolarHBondContact O-N 2.94Å
327A79.4Confident71.7Confident61 Ų61111.4 Ų111.450%0.50458%0.582SS.*Hα-helixtrans-65.3-40.2175.200000112.2R323 Q324 A330 A331R323-A327 VanDerWaalsContact O-CB 3.26Å; R323-A327 WeakPolarHBondContact O-CB 3.42Å; R323-A327 PolarHBondContact O-N 2.69Å; Q324-A327 PolarHBondContact O-N 3.27Å; A327-A330 PolarHBondContact O-N 3.19Å; A327-A331 WeakPolarHBondContact O-CB 3.21Å; A327-A331 PolarHBondContact O-N 3.33Å
328K78.4Confident72Confident149 Ų149115.5 Ų115.565%0.64859%0.589SS**Hα-helixtrans-65-43.1173.4-76.2-179.1179.9-173.50111.8Q324 A325 A330 A331 V332Q324-K328 WeakPolarHBondContact O-CB 3.43Å; Q324-K328 VanDerWaalsContact O-CG 3.31Å; Q324-K328 WeakPolarHBondContact O-CG 3.45Å; Q324-K328 PolarHBondContact O-N 3.42Å; A325-K328 PolarHBondContact O-N 3Å; K328-A330 VanDerWaalsContact C-N 3.34Å; K328-A330 PolarHBondContact O-N 3.32Å; K328-A331 PolarHBondContact O-N 2.91Å; K328-V332 WeakPolarHBondContact O-CG2 3.31Å; K328-V332 PolarHBondContact O-N 3.21Å
329A74.4Confident72.5Confident56 Ų56112.3 Ų112.346%0.46358%0.583SS.*Hα-helixtrans-63.5-38.4176.100000112.3A325 A326 V332 R333A325-A329 WeakPolarHBondContact O-CB 3.4Å; A325-A329 PolarHBondContact O-N 3.43Å; A326-A329 PolarHBondContact O-N 3.07Å; A329-V332 PolarHBondContact O-N 3.47Å; A329-R333 PolarHBondContact O-N 3.24Å
330A74.2Confident73Confident62 Ų62109.1 Ų109.151%0.51258%0.575SS.*Hα-helixtrans-65.2-40.4173.200000112.1A326 A327 K328 V332 R333 S334A326-A330 WeakPolarHBondContact O-CB 3.42Å; A326-A330 PolarHBondContact O-N 2.94Å; A327-A330 PolarHBondContact O-N 3.19Å; K328-A330 VanDerWaalsContact C-N 3.34Å; K328-A330 PolarHBondContact O-N 3.32Å; A330-V332 VanDerWaalsContact C-N 3.35Å; A330-R333 PolarHBondContact O-N 3Å; A330-S334 PolarHBondContact O-N 2.87Å; A330-S334 PolarHBondContact O-OG 3.42Å
331A72.6Confident73.4Confident47 Ų47104.8 Ų104.839%0.38857%0.565SS.*Hα-helixtrans-69.6-28.3175.600000113.5A327 K328 S334 K335A327-A331 WeakPolarHBondContact O-CB 3.21Å; A327-A331 PolarHBondContact O-N 3.33Å; K328-A331 PolarHBondContact O-N 2.91Å; A331-S334 WeakPolarHBondContact CA-OG 3.42Å; A331-S334 PolarHBondContact O-OG 3.14Å; A331-K335 WeakPolarHBondContact O-CG 3.42Å; A331-K335 PolarHBondContact O-N 3.31Å
332V67.3Low73.9Confident104 Ų10499 Ų9963%0.6355%0.547SS*.Hα-helixtrans-75-39.5172172.60000110.6K328 A329 A330 S334 K335 A336K328-V332 WeakPolarHBondContact O-CG2 3.31Å; K328-V332 PolarHBondContact O-N 3.21Å; A329-V332 PolarHBondContact O-N 3.47Å; A330-V332 VanDerWaalsContact C-N 3.35Å; V332-S334 VanDerWaalsContact C-N 3.32Å; V332-S334 PolarHBondContact O-N 3.19Å; V332-K335 PolarHBondContact O-N 2.93Å; V332-K335 VanDerWaalsContact O-N 3.09Å; V332-A336 PolarHBondContact O-N 3.33Å
333R64.9Low74.1Confident205 Ų205102.7 Ų102.777%0.77456%0.555SS**Hα-helixtrans-63.6-33.2173.8-88.9-175.9163.4-159.4-3.6113.4A329 A330 K335 A336A329-R333 PolarHBondContact O-N 3.24Å; A330-R333 PolarHBondContact O-N 3Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 2.91Å; R333-A336 PolarHBondContact O-N 3.42Å
334S62.6Low74.5Confident95 Ų9598.1 Ų98.166%0.66454%0.544SS*.THydrogen-bonded Turntrans-75.7-13.2174.363.50000113.8A330 A331 V332A330-S334 PolarHBondContact O-N 2.87Å; A330-S334 PolarHBondContact O-OG 3.42Å; A331-S334 WeakPolarHBondContact CA-OG 3.42Å; A331-S334 PolarHBondContact O-OG 3.14Å; V332-S334 VanDerWaalsContact C-N 3.32Å; V332-S334 PolarHBondContact O-N 3.19Å
335K63.5Low74.8Confident177 Ų177102.2 Ų102.277%0.7756%0.556SS**THydrogen-bonded Turntrans-93.2-4173.1-72.8179.3179.7-171.40113.9A331 V332 R333A331-K335 WeakPolarHBondContact O-CG 3.42Å; A331-K335 PolarHBondContact O-N 3.31Å; V332-K335 PolarHBondContact O-N 2.93Å; V332-K335 VanDerWaalsContact O-N 3.09Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 2.91Å
336A63.5Low75.1Confident36 Ų36107.6 Ų107.630%0.29856%0.563SS.*SBendtrans-62.3137.2169.900000109.3V332 R333 K338V332-A336 PolarHBondContact O-N 3.33Å; R333-A336 PolarHBondContact O-N 3.42Å; A336-K338 PolarHBondContact O-N 3.44Å
337P67.1Low75.5Confident83 Ų83109.8 Ų109.854%0.53956%0.561SS.*  trans-58.4133.8-176.826-34.5000108.9S339 A340P337-S339 PolarHBondContact O-N 3.46Å; P337-A340 HydrophobicContact CG-CB 4.06Å; P337-A340 PolarHBondContact O-N 3.34Å
338K73.5Confident75.9Confident193 Ų193112.7 Ų112.784%0.83956%0.563SS**Hα-helixtrans-52.4-25.3-179.2-66.5177.3-178.7174.20112A336 N341 E342A336-K338 PolarHBondContact O-N 3.44Å; K338-N341 PolarHBondContact O-N 2.92Å; K338-E342 WeakPolarHBondContact O-CB 3.46Å; K338-E342 PolarHBondContact O-N 3.25Å
339S77.1Confident76.3Confident85 Ų85107.5 Ų107.559%0.59455%0.551SS**Hα-helixtrans-63.1-38.6172.960.30000114.2P337 E342 R343P337-S339 PolarHBondContact O-N 3.46Å; S339-E342 PolarHBondContact O-N 3.49Å; S339-R343 WeakPolarHBondContact O-CB 3.36Å; S339-R343 PolarHBondContact O-N 2.9Å
340A74.6Confident77Confident36 Ų36110.4 Ų110.430%0.29856%0.557SS.*Hα-helixtrans-71-37.4177.600000111.5P337 N344P337-A340 HydrophobicContact CG-CB 4.06Å; P337-A340 PolarHBondContact O-N 3.34Å; A340-N344 WeakPolarHBondContact O-CB 3.48Å; A340-N344 VanDerWaalsContact O-CG 3.28Å; A340-N344 PolarHBondContact O-N 3.12Å
341N79.2Confident77.6Confident88 Ų88111 Ų11147%0.47155%0.55SS.*Hα-helixtrans-68-39.1173.9-78.9-14.6000111.9K338 N344 R345K338-N341 PolarHBondContact O-N 2.92Å; N341-N344 PolarHBondContact O-N 3.38Å; N341-R345 VanDerWaalsContact O-CB 3.28Å; N341-R345 WeakPolarHBondContact O-CB 3.22Å; N341-R345 PolarHBondContact O-N 3.36Å
342E83.7Confident78.2Confident77 Ų77113.7 Ų113.736%0.3656%0.556SS.*Hα-helixtrans-67.1-43.1174.5-177.559.1-158.500111.6K338 S339 N344 R345 R346K338-E342 WeakPolarHBondContact O-CB 3.46Å; K338-E342 PolarHBondContact O-N 3.25Å; S339-E342 PolarHBondContact O-N 3.49Å; E342-N344 PolarHBondContact O-N 3.47Å; E342-R345 PolarHBondContact O-N 3.49Å; E342-R346 WeakPolarHBondContact O-CB 3.33Å; E342-R346 VanDerWaalsContact O-CG 3.29Å; E342-R346 WeakPolarHBondContact O-CG 3.47Å; E342-R346 PolarHBondContact O-N 3.39Å; E342-R346 IonicContact OE1-CZ 2.91Å; E342-R346 IonicContact OE1-NE 3.6Å; E342-R346 PolarHBondContact OE1-NE 3.01Å; E342-R346 IonicContact OE1-NH2 3.64Å; E342-R346 PolarHBondContact OE1-NH2 3.38Å
343R82.8Confident79Confident196 Ų196113.7 Ų113.774%0.7455%0.552SS**Hα-helixtrans-59.4-45.8172.6-176.9178.2179.8168.31.3111.6S339 R346 F347S339-R343 WeakPolarHBondContact O-CB 3.36Å; S339-R343 PolarHBondContact O-N 2.9Å; R343-R346 PolarHBondContact O-N 3.29Å; R343-F347 VanDerWaalsContact O-CB 3.26Å; R343-F347 WeakPolarHBondContact O-CB 3.49Å; R343-F347 PolarHBondContact O-N 2.95Å
344N85.9Confident79.6Confident87 Ų87106.7 Ų106.747%0.46553%0.532SS..Hα-helixtrans-64.4-39.7176-77.1-10.1000111.5A340 N341 E342 F347 F348A340-N344 WeakPolarHBondContact O-CB 3.48Å; A340-N344 VanDerWaalsContact O-CG 3.28Å; A340-N344 PolarHBondContact O-N 3.12Å; N341-N344 PolarHBondContact O-N 3.38Å; E342-N344 PolarHBondContact O-N 3.47Å; N344-F347 PolarHBondContact O-N 3.01Å; N344-F348 VanDerWaalsContact O-CB 3.31Å; N344-F348 WeakPolarHBondContact O-CB 3.36Å; N344-F348 WeakPolarHBondContact O-CD2 3.34Å; N344-F348 PolarHBondContact O-N 3.18Å
345R86.1Confident80.4Confident189 Ų189105.8 Ų105.871%0.71352%0.52SS*.Hα-helixtrans-66-40.5176.2-171.5179.5177.4-174.2-1111.9N341 E342 G349N341-R345 VanDerWaalsContact O-CB 3.28Å; N341-R345 WeakPolarHBondContact O-CB 3.22Å; N341-R345 PolarHBondContact O-N 3.36Å; E342-R345 PolarHBondContact O-N 3.49Å; R345-G349 WeakPolarHBondContact O-CA 3.42Å; R345-G349 PolarHBondContact O-N 3.34Å
346R86.8Confident81.2Confident172 Ų172105.9 Ų105.965%0.64952%0.515SS*.Hα-helixtrans-65-44.9173.3-71.7176.6-172.6-161.91111.6E342 R343 G349 M350E342-R346 WeakPolarHBondContact O-CB 3.33Å; E342-R346 VanDerWaalsContact O-CG 3.29Å; E342-R346 WeakPolarHBondContact O-CG 3.47Å; E342-R346 PolarHBondContact O-N 3.39Å; E342-R346 IonicContact OE1-CZ 2.91Å; E342-R346 IonicContact OE1-NE 3.6Å; E342-R346 PolarHBondContact OE1-NE 3.01Å; E342-R346 IonicContact OE1-NH2 3.64Å; E342-R346 PolarHBondContact OE1-NH2 3.38Å; R343-R346 PolarHBondContact O-N 3.29Å; R346-G349 PolarHBondContact O-N 3Å; R346-M350 WeakPolarHBondContact O-CB 3.21Å; R346-M350 PolarHBondContact O-N 3.22Å
347F87.9Confident81.6Confident107 Ų107106.7 Ų106.747%0.46952%0.516SS..Hα-helixtrans-65.2-45.4178-173.8-103.4000112.1R343 N344 G349 M350 M351R343-F347 VanDerWaalsContact O-CB 3.26Å; R343-F347 WeakPolarHBondContact O-CB 3.49Å; R343-F347 PolarHBondContact O-N 2.95Å; N344-F347 PolarHBondContact O-N 3.01Å; F347-G349 VanDerWaalsContact C-N 3.35Å; F347-M350 HydrophobicContact CD2-CE 4.12Å; F347-M350 HydrophobicContact CE2-CE 4.27Å; F347-M350 PolarHBondContact O-N 2.8Å; F347-M351 HydrophobicContact CD1-CE 4.17Å; F347-M351 HydrophobicContact CE1-CE 3.36Å; F347-M351 HydrophobicContact CZ-CE 3.67Å; F347-M351 WeakPolarHBondContact O-CB 3.4Å; F347-M351 PolarHBondContact O-N 3.18Å
348F87.3Confident81.6Confident123 Ų123106.1 Ų106.154%0.53951%0.506SS..Hα-helixtrans-66.5-35.4173.2-93.2-79.4000112.4N344 M351 M352N344-F348 VanDerWaalsContact O-CB 3.31Å; N344-F348 WeakPolarHBondContact O-CB 3.36Å; N344-F348 WeakPolarHBondContact O-CD2 3.34Å; N344-F348 PolarHBondContact O-N 3.18Å; F348-M351 PolarHBondContact O-N 2.88Å; F348-M352 WeakPolarHBondContact O-CB 3.35Å; F348-M352 VanDerWaalsContact O-CG 3.29Å; F348-M352 WeakPolarHBondContact O-CG 3.37Å; F348-M352 PolarHBondContact O-N 2.89Å
349G88.1Confident81.6Confident39 Ų39103.4 Ų103.440%0.40250%0.5SS..Hα-helixtrans-62.5-48.5173.800000111.5R345 R346 F347 M351 M352 N353R345-G349 WeakPolarHBondContact O-CA 3.42Å; R345-G349 PolarHBondContact O-N 3.34Å; R346-G349 PolarHBondContact O-N 3Å; F347-G349 VanDerWaalsContact C-N 3.35Å; G349-M351 PolarHBondContact O-N 3.31Å; G349-M352 PolarHBondContact O-N 3.36Å; G349-N353 WeakPolarHBondContact O-CB 3.33Å; G349-N353 PolarHBondContact O-N 3.33Å
350M87.4Confident81.3Confident118 Ų118103.9 Ų103.958%0.58150%0.503SS*.Hα-helixtrans-59.3-45.4173.9-172.2176.774.400111.1R346 F347 N353 T354R346-M350 WeakPolarHBondContact O-CB 3.21Å; R346-M350 PolarHBondContact O-N 3.22Å; F347-M350 HydrophobicContact CD2-CE 4.12Å; F347-M350 HydrophobicContact CE2-CE 4.27Å; F347-M350 PolarHBondContact O-N 2.8Å; M350-N353 PolarHBondContact O-N 2.84Å; M350-T354 WeakPolarHBondContact O-CG2 3.35Å; M350-T354 PolarHBondContact O-N 3.4Å; M350-T354 PolarHBondContact O-OG1 3.48Å
351M86.9Confident80.6Confident75 Ų75106 Ų10637%0.36951%0.507SS..Hα-helixtrans-64.8-41.8179-168.1175.6-66.800113F347 F348 G349 N353 T354 L355F347-M351 HydrophobicContact CD1-CE 4.17Å; F347-M351 HydrophobicContact CE1-CE 3.36Å; F347-M351 HydrophobicContact CZ-CE 3.67Å; F347-M351 WeakPolarHBondContact O-CB 3.4Å; F347-M351 PolarHBondContact O-N 3.18Å; F348-M351 PolarHBondContact O-N 2.88Å; G349-M351 PolarHBondContact O-N 3.31Å; M351-N353 VanDerWaalsContact C-N 3.32Å; M351-T354 VanDerWaalsContact C-OG1 3.3Å; M351-T354 VanDerWaalsContact CA-OG1 3.23Å; M351-T354 WeakPolarHBondContact CA-OG1 3.31Å; M351-T354 PolarHBondContact O-N 3.46Å; M351-T354 PolarHBondContact O-OG1 2.87Å; M351-L355 HydrophobicContact CG-CD1 4.4Å; M351-L355 WeakPolarHBondContact O-CB 3.24Å; M351-L355 VanDerWaalsContact O-CG 3.28Å; M351-L355 WeakPolarHBondContact O-CG 3.41Å; M351-L355 PolarHBondContact O-N 2.94Å
352M85.4Confident80Confident103 Ų103103.2 Ų103.251%0.50750%0.499SS..Hα-helixtrans-67.4-35174.8-75.9-70152.900111.8F348 G349 L355 R356F348-M352 WeakPolarHBondContact O-CB 3.35Å; F348-M352 VanDerWaalsContact O-CG 3.29Å; F348-M352 WeakPolarHBondContact O-CG 3.37Å; F348-M352 PolarHBondContact O-N 2.89Å; G349-M352 PolarHBondContact O-N 3.36Å; M352-L355 HydrophobicContact CE-CD1 4.12Å; M352-L355 PolarHBondContact O-N 2.83Å; M352-L355 HydrophobicContact SD-CD1 4.2Å; M352-R356 VanDerWaalsContact O-CG 3.31Å; M352-R356 WeakPolarHBondContact O-CG 3.24Å; M352-R356 PolarHBondContact O-N 2.89Å
353N83.8Confident79.1Confident103 Ų103104.5 Ų104.555%0.55151%0.514SS*.Hα-helixtrans-67.6-43.7173.5-140.739.1000110.6G349 M350 M351 L355 R356 T357G349-N353 WeakPolarHBondContact O-CB 3.33Å; G349-N353 PolarHBondContact O-N 3.33Å; M350-N353 PolarHBondContact O-N 2.84Å; M351-N353 VanDerWaalsContact C-N 3.32Å; N353-L355 VanDerWaalsContact C-N 3.32Å; N353-L355 PolarHBondContact O-N 2.98Å; N353-R356 PolarHBondContact O-N 3.49Å; N353-T357 WeakPolarHBondContact O-CG2 3.36Å; N353-T357 PolarHBondContact O-N 3.45Å; N353-T357 PolarHBondContact O-OG1 2.84Å
354T78.2Confident78.4Confident58 Ų58102.2 Ų102.236%0.35651%0.512SS..Hα-helixtrans-62.8-37.9174.252.30000112M350 M351 T357 F358M350-T354 WeakPolarHBondContact O-CG2 3.35Å; M350-T354 PolarHBondContact O-N 3.4Å; M350-T354 PolarHBondContact O-OG1 3.48Å; M351-T354 VanDerWaalsContact C-OG1 3.3Å; M351-T354 VanDerWaalsContact CA-OG1 3.23Å; M351-T354 WeakPolarHBondContact CA-OG1 3.31Å; M351-T354 PolarHBondContact O-N 3.46Å; M351-T354 PolarHBondContact O-OG1 2.87Å; T354-T357 VanDerWaalsContact CA-OG1 3.3Å; T354-T357 WeakPolarHBondContact CA-OG1 3.41Å; T354-T357 PolarHBondContact O-N 3.24Å; T354-T357 PolarHBondContact O-OG1 3.34Å; T354-F358 WeakPolarHBondContact O-CB 3.43Å; T354-F358 WeakPolarHBondContact O-CD2 3.36Å; T354-F358 WeakPolarHBondContact O-CG 3.38Å; T354-F358 PolarHBondContact O-N 3Å
355L80.5Confident77.6Confident77 Ų7798.6 Ų98.640%0.40350%0.495SS..Hα-helixtrans-64.5-41.2174.3-75.8166000111.6M351 M352 N353 F358 D359M351-L355 HydrophobicContact CG-CD1 4.4Å; M351-L355 WeakPolarHBondContact O-CB 3.24Å; M351-L355 VanDerWaalsContact O-CG 3.28Å; M351-L355 WeakPolarHBondContact O-CG 3.41Å; M351-L355 PolarHBondContact O-N 2.94Å; M352-L355 HydrophobicContact CE-CD1 4.12Å; M352-L355 PolarHBondContact O-N 2.83Å; M352-L355 HydrophobicContact SD-CD1 4.2Å; N353-L355 VanDerWaalsContact C-N 3.32Å; N353-L355 PolarHBondContact O-N 2.98Å; L355-F358 WeakPolarHBondContact O-CB 3.38Å; L355-F358 PolarHBondContact O-N 3.4Å; L355-D359 VanDerWaalsContact O-CG 3.31Å; L355-D359 PolarHBondContact O-N 2.87Å
356R79.4Confident76.9Confident178 Ų17894.5 Ų94.567%0.67248%0.483SS*.Hα-helixtrans-65.2-38.6174.2-74.4175.9-179.8-167.1-1.1112.5M352 N353 F358 D359 S360M352-R356 VanDerWaalsContact O-CG 3.31Å; M352-R356 WeakPolarHBondContact O-CG 3.24Å; M352-R356 PolarHBondContact O-N 2.89Å; N353-R356 PolarHBondContact O-N 3.49Å; R356-F358 VanDerWaalsContact C-N 3.34Å; R356-D359 PolarHBondContact O-N 2.86Å; R356-S360 WeakPolarHBondContact O-CB 3.22Å; R356-S360 PolarHBondContact O-N 2.82Å; R356-S360 PolarHBondContact O-OG 3.33Å
357T71.3Confident76.4Confident53 Ų5391.6 Ų91.633%0.32548%0.477SS..Hα-helixtrans-67.1-37.6173.856.90000110.9N353 T354 D359 S360 E361N353-T357 WeakPolarHBondContact O-CG2 3.36Å; N353-T357 PolarHBondContact O-N 3.45Å; N353-T357 PolarHBondContact O-OG1 2.84Å; T354-T357 VanDerWaalsContact CA-OG1 3.3Å; T354-T357 WeakPolarHBondContact CA-OG1 3.41Å; T354-T357 PolarHBondContact O-N 3.24Å; T354-T357 PolarHBondContact O-OG1 3.34Å; T357-D359 VanDerWaalsContact C-N 3.32Å; T357-D359 PolarHBondContact O-N 3.45Å; T357-S360 WeakPolarHBondContact CA-OG 3.48Å; T357-S360 PolarHBondContact O-N 3.06Å; T357-S360 PolarHBondContact O-OG 2.85Å; T357-S360 VanDerWaalsContact O-OG 3.09Å; T357-E361 WeakPolarHBondContact O-CB 3.21Å; T357-E361 WeakPolarHBondContact O-CG 3.38Å; T357-E361 PolarHBondContact O-N 2.93Å
358F68.5Low76Confident72 Ų7291 Ų9132%0.31648%0.477SS..Hα-helixtrans-61.3-38.6171.6-76-59.9000112.5T354 L355 R356 F366T354-F358 WeakPolarHBondContact O-CB 3.43Å; T354-F358 WeakPolarHBondContact O-CD2 3.36Å; T354-F358 WeakPolarHBondContact O-CG 3.38Å; T354-F358 PolarHBondContact O-N 3Å; L355-F358 WeakPolarHBondContact O-CB 3.38Å; L355-F358 PolarHBondContact O-N 3.4Å; R356-F358 VanDerWaalsContact C-N 3.34Å; F358-F366 HydrophobicContact CB-CE2 4.34Å; F358-F366 HydrophobicContact CB-CZ 4.04Å; F358-F366 AromaticContact CD1-CE1 3.64Å; F358-F366 HydrophobicContact CD1-CE1 3.64Å; F358-F366 AromaticContact CD1-CE2 3.94Å; F358-F366 HydrophobicContact CD1-CE2 3.94Å; F358-F366 AromaticContact CD1-CZ 3.28Å; F358-F366 HydrophobicContact CD1-CZ 3.28Å; F358-F366 AromaticContact CE1-CE1 3.89Å; F358-F366 HydrophobicContact CE1-CE1 3.89Å; F358-F366 HydrophobicContact CE1-CZ 4.02Å; F358-F366 AromaticContact CG-CZ 3.96Å; F358-F366 HydrophobicContact CG-CZ 3.96Å
359D71.7Confident75.6Confident136 Ų13688.4 Ų88.473%0.72747%0.467SS*.Hα-helixtrans-71.9-34.5176.5-67.7-25.5000112.1L355 R356 T357L355-D359 VanDerWaalsContact O-CG 3.31Å; L355-D359 PolarHBondContact O-N 2.87Å; R356-D359 PolarHBondContact O-N 2.86Å; T357-D359 VanDerWaalsContact C-N 3.32Å; T357-D359 PolarHBondContact O-N 3.45Å
360S70.7Confident75.4Confident94 Ų9489.3 Ų89.366%0.65747%0.47SS*.Hα-helixtrans-84-28.6-179.164.80000114.6R356 T357 G362R356-S360 WeakPolarHBondContact O-CB 3.22Å; R356-S360 PolarHBondContact O-N 2.82Å; R356-S360 PolarHBondContact O-OG 3.33Å; T357-S360 WeakPolarHBondContact CA-OG 3.48Å; T357-S360 PolarHBondContact O-N 3.06Å; T357-S360 PolarHBondContact O-OG 2.85Å; T357-S360 VanDerWaalsContact O-OG 3.09Å; S360-G362 PolarHBondContact O-N 3.36Å
361E61.9Low75.3Confident82 Ų8289.8 Ų89.838%0.38347%0.469SS..SBendtrans-76.2-5.6-176.9-78.9179.6-163.500113.3T357 G365 Q369T357-E361 WeakPolarHBondContact O-CB 3.21Å; T357-E361 WeakPolarHBondContact O-CG 3.38Å; T357-E361 PolarHBondContact O-N 2.93Å; E361-G365 PolarHBondContact O-N 3.37Å; E361-Q369 PolarHBondContact OE2-NE2 3.14Å
362G64.9Low75.2Confident29 Ų2992.5 Ų92.530%0.29948%0.479SS..Hα-helixtrans56.1-174.7176.300000113.5S360 E364 F366S360-G362 PolarHBondContact O-N 3.36Å; G362-E364 PolarHBondContact O-N 2.83Å; G362-F366 WeakPolarHBondContact O-CD2 3.34Å
363P65.9Low75.3Confident104 Ų10493.5 Ų93.568%0.67549%0.485SS*.Hα-helixtrans-61-23.2177.224.2-33000113.3E367P363-E367 PolarHBondContact O-N 3.44Å
364E68.4Low75.5Confident148 Ų14896.6 Ų96.669%0.69249%0.493SS*.Hα-helixtrans-72.6-39.2-176.9-62.1-175.1176.600113.2G362 E367 I368G362-E364 PolarHBondContact O-N 2.83Å; E364-E367 WeakPolarHBondContact O-CB 3.37Å; E364-E367 PolarHBondContact O-N 3.35Å; E364-I368 WeakPolarHBondContact O-CG1 3.27Å; E364-I368 PolarHBondContact O-N 2.85Å
365G68.4Low76Confident11 Ų1198.6 Ų98.611%0.11350%0.499CS..Hα-helixtrans-66.1-38.3176.100000112.7E361 E367 I368 Q369E361-G365 PolarHBondContact O-N 3.37Å; G365-E367 VanDerWaalsContact C-N 3.33Å; G365-E367 PolarHBondContact O-N 3.45Å; G365-I368 PolarHBondContact O-N 3.48Å; G365-Q369 WeakPolarHBondContact O-CG 3.01Å; G365-Q369 PolarHBondContact O-N 2.81Å
366F70.9Confident76.3Confident103 Ų10398.8 Ų98.845%0.45250%0.503SS..Hα-helixtrans-60.9-40.7171.7-80.6-82.2000112F358 G362 Q369 A370F358-F366 HydrophobicContact CB-CE2 4.34Å; F358-F366 HydrophobicContact CB-CZ 4.04Å; F358-F366 AromaticContact CD1-CE1 3.64Å; F358-F366 HydrophobicContact CD1-CE1 3.64Å; F358-F366 AromaticContact CD1-CE2 3.94Å; F358-F366 HydrophobicContact CD1-CE2 3.94Å; F358-F366 AromaticContact CD1-CZ 3.28Å; F358-F366 HydrophobicContact CD1-CZ 3.28Å; F358-F366 AromaticContact CE1-CE1 3.89Å; F358-F366 HydrophobicContact CE1-CE1 3.89Å; F358-F366 HydrophobicContact CE1-CZ 4.02Å; F358-F366 AromaticContact CG-CZ 3.96Å; F358-F366 HydrophobicContact CG-CZ 3.96Å; G362-F366 WeakPolarHBondContact O-CD2 3.34Å; F366-Q369 PolarHBondContact O-N 3.46Å; F366-A370 WeakPolarHBondContact O-CB 3.28Å; F366-A370 PolarHBondContact O-N 3.01Å
367E76.9Confident76.8Confident111 Ų11191.9 Ų91.952%0.51949%0.487SS..Hα-helixtrans-64.3-40.5175.4-75.1-172.1-169.500112.5P363 E364 G365 K371P363-E367 PolarHBondContact O-N 3.44Å; E364-E367 WeakPolarHBondContact O-CB 3.37Å; E364-E367 PolarHBondContact O-N 3.35Å; G365-E367 VanDerWaalsContact C-N 3.33Å; G365-E367 PolarHBondContact O-N 3.45Å; E367-K371 WeakPolarHBondContact O-CB 3.25Å; E367-K371 WeakPolarHBondContact O-CD 3.5Å; E367-K371 WeakPolarHBondContact O-CG 3.31Å; E367-K371 PolarHBondContact O-N 3.49Å; E367-K371 IonicContact OE2-NZ 3.47Å
368I80Confident77.7Confident94 Ų9492.1 Ų92.148%0.48249%0.494SS..Hα-helixtrans-67-44.8177.7-65165.7000110.6E364 G365 K371 K372E364-I368 WeakPolarHBondContact O-CG1 3.27Å; E364-I368 PolarHBondContact O-N 2.85Å; G365-I368 PolarHBondContact O-N 3.48Å; I368-K371 PolarHBondContact O-N 2.96Å; I368-K372 WeakPolarHBondContact O-CG 3.49Å; I368-K372 PolarHBondContact O-N 3.34Å
369Q79.2Confident78.7Confident69 Ų6996.5 Ų96.532%0.32251%0.509SS..Hα-helixtrans-64.5-42.5176.4-68.2-178.126.800111.3E361 G365 F366 K371 K372 I373E361-Q369 PolarHBondContact OE2-NE2 3.14Å; G365-Q369 WeakPolarHBondContact O-CG 3.01Å; G365-Q369 PolarHBondContact O-N 2.81Å; F366-Q369 PolarHBondContact O-N 3.46Å; Q369-K371 VanDerWaalsContact C-N 3.34Å; Q369-K371 PolarHBondContact O-N 3.19Å; Q369-K372 PolarHBondContact O-N 3.29Å; Q369-I373 VanDerWaalsContact O-CG1 3.3Å; Q369-I373 WeakPolarHBondContact O-CG1 3.43Å; Q369-I373 PolarHBondContact O-N 3.37Å
370A83Confident79.6Confident57 Ų5793.7 Ų93.747%0.47149%0.493SS..Hα-helixtrans-62.7-39.7175.200000112F366 I373 K374F366-A370 WeakPolarHBondContact O-CB 3.28Å; F366-A370 PolarHBondContact O-N 3.01Å; A370-I373 PolarHBondContact O-N 2.9Å; A370-K374 VanDerWaalsContact O-CB 3.27Å; A370-K374 WeakPolarHBondContact O-CB 3.31Å; A370-K374 PolarHBondContact O-N 3.3Å
371K84.7Confident80.5Confident129 Ų12994.7 Ų94.756%0.56149%0.488SS*.Hα-helixtrans-62.5-44.9173.1-75.6166.1-171.4165.70111.4E367 I368 Q369 K374 E375E367-K371 WeakPolarHBondContact O-CB 3.25Å; E367-K371 WeakPolarHBondContact O-CD 3.5Å; E367-K371 WeakPolarHBondContact O-CG 3.31Å; E367-K371 PolarHBondContact O-N 3.49Å; E367-K371 IonicContact OE2-NZ 3.47Å; I368-K371 PolarHBondContact O-N 2.96Å; Q369-K371 VanDerWaalsContact C-N 3.34Å; Q369-K371 PolarHBondContact O-N 3.19Å; K371-K374 PolarHBondContact O-N 2.68Å; K371-E375 WeakPolarHBondContact O-CB 3.29Å; K371-E375 PolarHBondContact O-N 2.89Å
372K86.4Confident81.9Confident132 Ų13293 Ų9357%0.57449%0.487SS*.Hα-helixtrans-62.8-45175.8-73.1178.6-179.9-179.40112.4I368 Q369 K374 E375 V376I368-K372 WeakPolarHBondContact O-CG 3.49Å; I368-K372 PolarHBondContact O-N 3.34Å; Q369-K372 PolarHBondContact O-N 3.29Å; K372-K374 VanDerWaalsContact C-N 3.31Å; K372-K374 PolarHBondContact O-N 2.96Å; K372-E375 PolarHBondContact O-N 2.94Å; K372-V376 WeakPolarHBondContact O-CB 3.24Å; K372-V376 VanDerWaalsContact O-CG2 3.29Å; K372-V376 WeakPolarHBondContact O-CG2 3.4Å; K372-V376 PolarHBondContact O-N 3.48Å
373I85.7Confident83.1Confident123 Ų12396.7 Ų96.763%0.63150%0.497SS*.Hα-helixtrans-62.6-40.5176.6-67.6166.1000110.5Q369 A370 G377Q369-I373 VanDerWaalsContact O-CG1 3.3Å; Q369-I373 WeakPolarHBondContact O-CG1 3.43Å; Q369-I373 PolarHBondContact O-N 3.37Å; A370-I373 PolarHBondContact O-N 2.9Å; I373-G377 PolarHBondContact O-N 2.91Å
374K89.2Confident84.3Confident168 Ų16898.3 Ų98.373%0.7349%0.489SS*.Hα-helixtrans-65.5-41.1176-172.1179179.9-177.40112A370 K371 K372 G377 A378A370-K374 VanDerWaalsContact O-CB 3.27Å; A370-K374 WeakPolarHBondContact O-CB 3.31Å; A370-K374 PolarHBondContact O-N 3.3Å; K371-K374 PolarHBondContact O-N 2.68Å; K372-K374 VanDerWaalsContact C-N 3.31Å; K372-K374 PolarHBondContact O-N 2.96Å; K374-G377 PolarHBondContact O-N 3.29Å; K374-A378 WeakPolarHBondContact O-CB 3.15Å; K374-A378 PolarHBondContact O-N 3.4Å
375E88.7Confident85.4Confident100 Ų10095.9 Ų95.947%0.46748%0.478SS..Hα-helixtrans-66.2-46176.4-172.5-178.4172.600111.8K371 K372 G377 A378 R379K371-E375 WeakPolarHBondContact O-CB 3.29Å; K371-E375 PolarHBondContact O-N 2.89Å; K372-E375 PolarHBondContact O-N 2.94Å; E375-G377 VanDerWaalsContact C-N 3.33Å; E375-G377 PolarHBondContact O-N 3.39Å; E375-A378 PolarHBondContact O-N 3.28Å; E375-R379 WeakPolarHBondContact O-CG 3.12Å; E375-R379 PolarHBondContact O-N 3.37Å; E375-R379 IonicContact OE1-CZ 3.51Å; E375-R379 IonicContact OE1-NE 3.68Å; E375-R379 IonicContact OE1-NH2 3.43Å; E375-R379 PolarHBondContact OE1-NH2 3.02Å
376V87.2Confident86.6Confident82 Ų82100.5 Ų100.550%0.49750%0.497SS..Hα-helixtrans-63.1-41.3175.2172.80000110.8K372 A378 R379 L380K372-V376 WeakPolarHBondContact O-CB 3.24Å; K372-V376 VanDerWaalsContact O-CG2 3.29Å; K372-V376 WeakPolarHBondContact O-CG2 3.4Å; K372-V376 PolarHBondContact O-N 3.48Å; V376-A378 PolarHBondContact O-N 2.92Å; V376-R379 PolarHBondContact O-N 2.9Å; V376-L380 HydrophobicContact CG1-CD1 3.93Å; V376-L380 HydrophobicContact CG1-CG 4.38Å; V376-L380 WeakPolarHBondContact O-CB 3.49Å; V376-L380 WeakPolarHBondContact O-CG 3.5Å; V376-L380 PolarHBondContact O-N 3.13Å
377G88.3Confident87.6Confident33 Ų33100.8 Ų100.834%0.3450%0.5SS..Hα-helixtrans-59.7-44.4174.300000112.6I373 K374 E375 L380 E381I373-G377 PolarHBondContact O-N 2.91Å; K374-G377 PolarHBondContact O-N 3.29Å; E375-G377 VanDerWaalsContact C-N 3.33Å; E375-G377 PolarHBondContact O-N 3.39Å; G377-L380 PolarHBondContact O-N 2.92Å; G377-E381 WeakPolarHBondContact O-CB 3.25Å; G377-E381 PolarHBondContact O-N 3.47Å
378A90.8Very high88.4Confident57 Ų57104.2 Ų104.247%0.47151%0.508SS..Hα-helixtrans-65.7-39.8176.900000112.6K374 E375 V376 E381 A382K374-A378 WeakPolarHBondContact O-CB 3.15Å; K374-A378 PolarHBondContact O-N 3.4Å; E375-A378 PolarHBondContact O-N 3.28Å; V376-A378 PolarHBondContact O-N 2.92Å; A378-E381 PolarHBondContact O-N 3.41Å; A378-A382 PolarHBondContact O-N 2.89Å
379R90.6Very high89Confident165 Ų165105.8 Ų105.862%0.62351%0.511SS*.Hα-helixtrans-64.7-44.7174.9-70.5-178.2-172-161.73.6112E375 V376 E381 A382 E383E375-R379 WeakPolarHBondContact O-CG 3.12Å; E375-R379 PolarHBondContact O-N 3.37Å; E375-R379 IonicContact OE1-CZ 3.51Å; E375-R379 IonicContact OE1-NE 3.68Å; E375-R379 IonicContact OE1-NH2 3.43Å; E375-R379 PolarHBondContact OE1-NH2 3.02Å; V376-R379 PolarHBondContact O-N 2.9Å; R379-E381 VanDerWaalsContact C-N 3.28Å; R379-E381 PolarHBondContact O-N 3Å; R379-A382 PolarHBondContact O-N 3.45Å; R379-E383 PolarHBondContact O-N 3.39Å
380L89.6Confident89.8Confident76 Ų76108.1 Ų108.140%0.39852%0.52SS..Hα-helixtrans-66.9-27.5177.3-72.7172.5000113.1V376 G377 R384V376-L380 HydrophobicContact CG1-CD1 3.93Å; V376-L380 HydrophobicContact CG1-CG 4.38Å; V376-L380 WeakPolarHBondContact O-CB 3.49Å; V376-L380 WeakPolarHBondContact O-CG 3.5Å; V376-L380 PolarHBondContact O-N 3.13Å; G377-L380 PolarHBondContact O-N 2.92Å; L380-R384 WeakPolarHBondContact O-CB 3.4Å; L380-R384 VanDerWaalsContact O-CG 3.31Å; L380-R384 WeakPolarHBondContact O-CG 3.21Å; L380-R384 PolarHBondContact O-N 3.45Å; L380-R384 PolarHBondContact O-NE 2.8Å
381E89.3Confident90.2Very high116 Ų116108.7 Ų108.754%0.54252%0.518SS..Hα-helixtrans-75.8-42.8173.9-172.4160.5-145.700111.4G377 A378 R379 E383 R384 E385G377-E381 WeakPolarHBondContact O-CB 3.25Å; G377-E381 PolarHBondContact O-N 3.47Å; A378-E381 PolarHBondContact O-N 3.41Å; R379-E381 VanDerWaalsContact C-N 3.28Å; R379-E381 PolarHBondContact O-N 3Å; E381-E383 PolarHBondContact O-N 3.29Å; E381-R384 PolarHBondContact O-N 2.81Å; E381-E385 WeakPolarHBondContact O-CG 3.37Å; E381-E385 PolarHBondContact O-N 3.07Å
382A91.5Very high90.7Very high45 Ų45104.7 Ų104.737%0.37251%0.509SS..Hα-helixtrans-59.5-45.6173.800000112.1A378 R379 R384 E385 E386A378-A382 PolarHBondContact O-N 2.89Å; R379-A382 PolarHBondContact O-N 3.45Å; A382-R384 PolarHBondContact O-N 3.34Å; A382-E385 PolarHBondContact O-N 2.99Å; A382-E386 WeakPolarHBondContact O-CG 3.37Å; A382-E386 PolarHBondContact O-N 3.2Å
383E91.1Very high91.1Very high107 Ų107103.1 Ų103.150%0.550%0.503SS..Hα-helixtrans-62-42.6176.5-172.3172.1-157.200111.7R379 E381 E385 E386 E387R379-E383 PolarHBondContact O-N 3.39Å; E381-E383 PolarHBondContact O-N 3.29Å; E383-E385 VanDerWaalsContact C-N 3.34Å; E383-E385 PolarHBondContact O-N 3.04Å; E383-E386 PolarHBondContact O-N 3.02Å; E383-E387 WeakPolarHBondContact O-CG 3.35Å; E383-E387 PolarHBondContact O-N 2.88Å
384R91.2Very high91.6Very high138 Ų138102.9 Ų102.952%0.52150%0.499SS..Hα-helixtrans-63.6-35.8174.2-81.9-174.5-112.8153.6-7.1113.2L380 E381 A382 R388L380-R384 WeakPolarHBondContact O-CB 3.4Å; L380-R384 VanDerWaalsContact O-CG 3.31Å; L380-R384 WeakPolarHBondContact O-CG 3.21Å; L380-R384 PolarHBondContact O-N 3.45Å; L380-R384 PolarHBondContact O-NE 2.8Å; E381-R384 PolarHBondContact O-N 2.81Å; A382-R384 PolarHBondContact O-N 3.34Å; R384-R388 WeakPolarHBondContact O-CB 3.22Å; R384-R388 WeakPolarHBondContact O-CG 3.5Å; R384-R388 PolarHBondContact O-N 2.94Å
385E91.5Very high91.8Very high98 Ų98101.1 Ų101.146%0.45849%0.492SS..Hα-helixtrans-69.6-38.8175.1-75.1-172.9178.900112E381 A382 E383 R388 K389E381-E385 WeakPolarHBondContact O-CG 3.37Å; E381-E385 PolarHBondContact O-N 3.07Å; A382-E385 PolarHBondContact O-N 2.99Å; E383-E385 VanDerWaalsContact C-N 3.34Å; E383-E385 PolarHBondContact O-N 3.04Å; E385-R388 PolarHBondContact O-N 2.9Å; E385-K389 WeakPolarHBondContact O-CG 3.36Å; E385-K389 PolarHBondContact O-N 3.39Å
386E92.7Very high92Very high108 Ų108102 Ų10251%0.50550%0.496SS..Hα-helixtrans-64.7-45.3174.4-73179.6-166.700112A382 E383 R388 K389 K390A382-E386 WeakPolarHBondContact O-CG 3.37Å; A382-E386 PolarHBondContact O-N 3.2Å; E383-E386 PolarHBondContact O-N 3.02Å; E386-R388 VanDerWaalsContact C-N 3.34Å; E386-R388 PolarHBondContact O-N 2.92Å; E386-K389 PolarHBondContact O-N 3.11Å; E386-K390 WeakPolarHBondContact O-CG 3.3Å; E386-K390 PolarHBondContact O-N 3.16Å
387E92.3Very high92.4Very high109 Ų109103.6 Ų103.651%0.50950%0.496SS..Hα-helixtrans-60.2-42.8174.2-73.1-178.216600111.9E383 K389 K390 V391E383-E387 WeakPolarHBondContact O-CG 3.35Å; E383-E387 PolarHBondContact O-N 2.88Å; E387-K389 VanDerWaalsContact C-N 3.33Å; E387-K389 PolarHBondContact O-N 2.97Å; E387-K390 PolarHBondContact O-N 3.04Å; E387-V391 VanDerWaalsContact O-CG2 3.31Å; E387-V391 WeakPolarHBondContact O-CG2 3.46Å; E387-V391 PolarHBondContact O-N 3.43Å
388R92.5Very high92.7Very high183 Ų183105.9 Ų105.969%0.69150%0.5SS*.Hα-helixtrans-61.4-40.6175.9-77.9173.4179.7-175.31.2112.4R384 E385 E386 A392R384-R388 WeakPolarHBondContact O-CB 3.22Å; R384-R388 WeakPolarHBondContact O-CG 3.5Å; R384-R388 PolarHBondContact O-N 2.94Å; E385-R388 PolarHBondContact O-N 2.9Å; E386-R388 VanDerWaalsContact C-N 3.34Å; E386-R388 PolarHBondContact O-N 2.92Å; R388-A392 WeakPolarHBondContact O-CB 3.32Å; R388-A392 PolarHBondContact O-N 3.42Å
389K94.4Very high92.9Very high127 Ų127107 Ų10755%0.55250%0.497SS*.Hα-helixtrans-65.6-46.8175.8-73.7171.6-176.2171.40111.3E385 E386 E387 V391 A392 E393E385-K389 WeakPolarHBondContact O-CG 3.36Å; E385-K389 PolarHBondContact O-N 3.39Å; E386-K389 PolarHBondContact O-N 3.11Å; E387-K389 VanDerWaalsContact C-N 3.33Å; E387-K389 PolarHBondContact O-N 2.97Å; K389-V391 PolarHBondContact O-N 3.23Å; K389-A392 PolarHBondContact O-N 3.44Å; K389-A392 VanDerWaalsContact O-N 3.12Å; K389-E393 WeakPolarHBondContact O-CG 3.23Å; K389-E393 PolarHBondContact O-N 3.43Å
390K94.7Very high92.9Very high117 Ų117104.5 Ų104.551%0.50949%0.493SS..Hα-helixtrans-57.1-47.3176.2-71.1172.3-174.4172.20111.8E386 E387 A392 E393 E394E386-K390 WeakPolarHBondContact O-CG 3.3Å; E386-K390 PolarHBondContact O-N 3.16Å; E387-K390 PolarHBondContact O-N 3.04Å; K390-A392 VanDerWaalsContact C-N 3.33Å; K390-A392 PolarHBondContact O-N 2.95Å; K390-E393 PolarHBondContact O-N 3.46Å; K390-E394 WeakPolarHBondContact O-CB 3.46Å; K390-E394 WeakPolarHBondContact O-CG 3.49Å; K390-E394 PolarHBondContact O-N 2.96Å
391V92.7Very high93.2Very high69 Ų69106 Ų10642%0.41850%0.497SS..Hα-helixtrans-64.5-36.6177.2172.60000111.8E387 K389 K395E387-V391 VanDerWaalsContact O-CG2 3.31Å; E387-V391 WeakPolarHBondContact O-CG2 3.46Å; E387-V391 PolarHBondContact O-N 3.43Å; K389-V391 PolarHBondContact O-N 3.23Å; V391-K395 HydrophobicContact CG1-CD 4.21Å; V391-K395 WeakPolarHBondContact O-CB 3.36Å; V391-K395 WeakPolarHBondContact O-CG 3.5Å; V391-K395 PolarHBondContact O-N 3.45Å
392A94.5Very high93.3Very high45 Ų45106.1 Ų106.137%0.37249%0.493SS..Hα-helixtrans-67.5-42.8176.300000112.2R388 K389 K390 K395 Q396R388-A392 WeakPolarHBondContact O-CB 3.32Å; R388-A392 PolarHBondContact O-N 3.42Å; K389-A392 PolarHBondContact O-N 3.44Å; K389-A392 VanDerWaalsContact O-N 3.12Å; K390-A392 VanDerWaalsContact C-N 3.33Å; K390-A392 PolarHBondContact O-N 2.95Å; A392-K395 PolarHBondContact O-N 3.03Å; A392-Q396 WeakPolarHBondContact O-CG 3.4Å; A392-Q396 PolarHBondContact O-N 2.95Å
393E95.5Very high93.2Very high100 Ų100107.2 Ų107.247%0.46749%0.487SS..Hα-helixtrans-64.6-43.2175.6-71.7174.4-163.200111.9K389 K390 K395 Q396 K397K389-E393 WeakPolarHBondContact O-CG 3.23Å; K389-E393 PolarHBondContact O-N 3.43Å; K390-E393 PolarHBondContact O-N 3.46Å; E393-K395 VanDerWaalsContact C-N 3.34Å; E393-K395 PolarHBondContact O-N 3Å; E393-Q396 PolarHBondContact O-N 2.88Å; E393-K397 WeakPolarHBondContact O-CB 3.32Å; E393-K397 VanDerWaalsContact O-CG 3.29Å; E393-K397 WeakPolarHBondContact O-CG 3.46Å; E393-K397 PolarHBondContact O-N 2.61Å
394E94.5Very high93.2Very high117 Ų117107.8 Ų107.855%0.54749%0.49SS..Hα-helixtrans-61.8-42.6175.2-75.1176.4-175.400111.7K390 K397 I398K390-E394 WeakPolarHBondContact O-CB 3.46Å; K390-E394 WeakPolarHBondContact O-CG 3.49Å; K390-E394 PolarHBondContact O-N 2.96Å; E394-K397 PolarHBondContact O-N 3.19Å; E394-I398 VanDerWaalsContact O-CG1 3.25Å; E394-I398 WeakPolarHBondContact O-CG1 3.41Å; E394-I398 PolarHBondContact O-N 3.38Å
395K94.1Very high93.3Very high131 Ų131105 Ų10557%0.5748%0.483SS*.Hα-helixtrans-60.5-45.7174.2-77.3175.7178.7-1730111.9V391 A392 E393 I398 I399V391-K395 HydrophobicContact CG1-CD 4.21Å; V391-K395 WeakPolarHBondContact O-CB 3.36Å; V391-K395 WeakPolarHBondContact O-CG 3.5Å; V391-K395 PolarHBondContact O-N 3.45Å; A392-K395 PolarHBondContact O-N 3.03Å; E393-K395 VanDerWaalsContact C-N 3.34Å; E393-K395 PolarHBondContact O-N 3Å; K395-I398 PolarHBondContact O-N 3.47Å; K395-I399 VanDerWaalsContact O-CG1 3.31Å; K395-I399 WeakPolarHBondContact O-CG1 3.38Å; K395-I399 PolarHBondContact O-N 3.44Å
396Q93.3Very high93.2Very high119 Ų119105.4 Ų105.456%0.55648%0.48SS*.Hα-helixtrans-60.4-47176.9-75.5175.3-12.400111.4A392 E393 I398 I399 E400A392-Q396 WeakPolarHBondContact O-CG 3.4Å; A392-Q396 PolarHBondContact O-N 2.95Å; E393-Q396 PolarHBondContact O-N 2.88Å; Q396-I398 VanDerWaalsContact C-N 3.31Å; Q396-I398 PolarHBondContact O-N 3.4Å; Q396-I399 PolarHBondContact O-N 2.88Å; Q396-I399 VanDerWaalsContact O-N 3.14Å; Q396-E400 WeakPolarHBondContact O-CG 3.08Å; Q396-E400 PolarHBondContact O-N 3.21Å
397K94.9Very high93.1Very high116 Ų116102.7 Ų102.750%0.50447%0.469SS..Hα-helixtrans-57.4-42.2175.6-72.3170.6-175.1173.10112.3E393 E394 E400 Q401E393-K397 WeakPolarHBondContact O-CB 3.32Å; E393-K397 VanDerWaalsContact O-CG 3.29Å; E393-K397 WeakPolarHBondContact O-CG 3.46Å; E393-K397 PolarHBondContact O-N 2.61Å; E394-K397 PolarHBondContact O-N 3.19Å; K397-E400 PolarHBondContact O-N 3.39Å; K397-Q401 WeakPolarHBondContact O-CB 3.45Å; K397-Q401 VanDerWaalsContact O-CG 3.24Å; K397-Q401 WeakPolarHBondContact O-CG 3.32Å; K397-Q401 PolarHBondContact O-N 3.46Å
398I94.9Very high93.1Very high80 Ų80103 Ų10341%0.4147%0.47SS..Hα-helixtrans-65.8-40.6177.8-68.5164.4000111.3E394 K395 Q396 Q401 R402E394-I398 VanDerWaalsContact O-CG1 3.25Å; E394-I398 WeakPolarHBondContact O-CG1 3.41Å; E394-I398 PolarHBondContact O-N 3.38Å; K395-I398 PolarHBondContact O-N 3.47Å; Q396-I398 VanDerWaalsContact C-N 3.31Å; Q396-I398 PolarHBondContact O-N 3.4Å; I398-Q401 PolarHBondContact O-N 2.94Å; I398-R402 VanDerWaalsContact O-CG 3.31Å; I398-R402 WeakPolarHBondContact O-CG 3.44Å; I398-R402 PolarHBondContact O-N 3.4Å
399I94.4Very high93.1Very high81 Ų8198.6 Ų98.642%0.41546%0.46SS..Hα-helixtrans-64.8-46.4177.4-67.7165000110.3K395 Q396 Q401 R402 R403K395-I399 VanDerWaalsContact O-CG1 3.31Å; K395-I399 WeakPolarHBondContact O-CG1 3.38Å; K395-I399 PolarHBondContact O-N 3.44Å; Q396-I399 PolarHBondContact O-N 2.88Å; Q396-I399 VanDerWaalsContact O-N 3.14Å; I399-Q401 PolarHBondContact O-N 3.44Å; I399-R402 WeakPolarHBondContact O-CB 3.37Å; I399-R402 PolarHBondContact O-N 3.41Å; I399-R403 PolarHBondContact O-N 2.92Å
400E92Very high93Very high113 Ų11399.2 Ų99.253%0.52846%0.458SS..Hα-helixtrans-60.2-44.2176.5-72.7172.3-172.200112Q396 K397 R402 R403 Q404Q396-E400 WeakPolarHBondContact O-CG 3.08Å; Q396-E400 PolarHBondContact O-N 3.21Å; K397-E400 PolarHBondContact O-N 3.39Å; E400-R402 PolarHBondContact O-N 2.98Å; E400-R403 WeakPolarHBondContact O-CB 3.4Å; E400-R403 PolarHBondContact O-N 2.93Å; E400-Q404 WeakPolarHBondContact O-CG 3.4Å; E400-Q404 PolarHBondContact O-N 3.38Å
401Q94.3Very high92.8Very high107 Ų10797.4 Ų97.450%0.545%0.448SS..Hα-helixtrans-61.4-42174.7-76.1176.20.900112.2K397 I398 I399 R403 Q404 Q405K397-Q401 WeakPolarHBondContact O-CB 3.45Å; K397-Q401 VanDerWaalsContact O-CG 3.24Å; K397-Q401 WeakPolarHBondContact O-CG 3.32Å; K397-Q401 PolarHBondContact O-N 3.46Å; I398-Q401 PolarHBondContact O-N 2.94Å; I399-Q401 PolarHBondContact O-N 3.44Å; Q401-R403 VanDerWaalsContact C-N 3.33Å; Q401-Q404 PolarHBondContact O-N 3.12Å; Q401-Q405 WeakPolarHBondContact O-CB 3.47Å; Q401-Q405 VanDerWaalsContact O-CG 3.3Å; Q401-Q405 WeakPolarHBondContact O-CG 3.46Å; Q401-Q405 PolarHBondContact O-N 3.39Å
402R93.1Very high92.9Very high119 Ų11998.6 Ų98.645%0.44945%0.452SS..Hα-helixtrans-63.2-40.4175-74.9175.8-174-177.92.7111.4I398 I399 E400 Q405 R406I398-R402 VanDerWaalsContact O-CG 3.31Å; I398-R402 WeakPolarHBondContact O-CG 3.44Å; I398-R402 PolarHBondContact O-N 3.4Å; I399-R402 WeakPolarHBondContact O-CB 3.37Å; I399-R402 PolarHBondContact O-N 3.41Å; E400-R402 PolarHBondContact O-N 2.98Å; R402-Q405 PolarHBondContact O-N 3.36Å; R402-R406 WeakPolarHBondContact O-CG 3.33Å; R402-R406 PolarHBondContact O-N 2.91Å
403R88.3Confident92.9Very high67 Ų67101 Ų10125%0.25346%0.456SS..Hα-helixtrans-62.8-47.8176.4-174.9176.2175.1-162.7-7111.3I399 E400 Q401 Q405 R406 L407I399-R403 PolarHBondContact O-N 2.92Å; E400-R403 WeakPolarHBondContact O-CB 3.4Å; E400-R403 PolarHBondContact O-N 2.93Å; Q401-R403 VanDerWaalsContact C-N 3.33Å; R403-Q405 PolarHBondContact O-N 3.47Å; R403-R406 PolarHBondContact O-N 2.94Å; R403-L407 HydrophobicContact CG-CD1 4.42Å; R403-L407 WeakPolarHBondContact O-CG 3.28Å; R403-L407 PolarHBondContact O-N 3.25Å
404Q90.6Very high92.8Very high120 Ų120102.2 Ų102.256%0.56146%0.456SS*.Hα-helixtrans-57.8-46.5175.1-72.1173.9-2.300111.7E400 Q401 R406 L407 E408E400-Q404 WeakPolarHBondContact O-CG 3.4Å; E400-Q404 PolarHBondContact O-N 3.38Å; Q401-Q404 PolarHBondContact O-N 3.12Å; Q404-R406 PolarHBondContact O-N 3.4Å; Q404-L407 PolarHBondContact O-N 2.9Å; Q404-E408 WeakPolarHBondContact O-CB 3.46Å; Q404-E408 PolarHBondContact O-N 3.45Å
405Q93.7Very high92.9Very high80 Ų8097.9 Ų97.937%0.37444%0.435SS..Hα-helixtrans-61.8-40.6177.2-74.7173.78.800112.6Q401 R402 R403 E408 I409Q401-Q405 WeakPolarHBondContact O-CB 3.47Å; Q401-Q405 VanDerWaalsContact O-CG 3.3Å; Q401-Q405 WeakPolarHBondContact O-CG 3.46Å; Q401-Q405 PolarHBondContact O-N 3.39Å; R402-Q405 PolarHBondContact O-N 3.36Å; R403-Q405 PolarHBondContact O-N 3.47Å; Q405-E408 PolarHBondContact O-N 2.95Å; Q405-I409 WeakPolarHBondContact O-CB 3.31Å; Q405-I409 WeakPolarHBondContact O-CD1 3.32Å; Q405-I409 VanDerWaalsContact O-CG1 3.23Å; Q405-I409 WeakPolarHBondContact O-CG1 3.48Å; Q405-I409 PolarHBondContact O-N 3.32Å
406R90.3Very high93.1Very high106 Ų10698.1 Ų98.140%0.443%0.433SS..Hα-helixtrans-64.7-44.1177-75.3174177.6175.71.2111.7R402 R403 Q404 I409 R410 E500R402-R406 WeakPolarHBondContact O-CG 3.33Å; R402-R406 PolarHBondContact O-N 2.91Å; R403-R406 PolarHBondContact O-N 2.94Å; Q404-R406 PolarHBondContact O-N 3.4Å; R406-I409 PolarHBondContact O-N 3.5Å; R406-R410 WeakPolarHBondContact O-CG 3.33Å; R406-R410 PolarHBondContact O-N 3Å; R406-E500 IonicContact CZ-OE1 3.68Å; R406-E500 IonicContact NH1-OE1 2.61Å; R406-E500 PolarHBondContact NH1-OE1 2.98Å
407L90.1Very high93.2Very high50 Ų5094 Ų9426%0.26242%0.423SS..Hα-helixtrans-61.5-45.4175.7-73173.6000111.3R403 Q404 I409 R410 R411 E496R403-L407 HydrophobicContact CG-CD1 4.42Å; R403-L407 WeakPolarHBondContact O-CG 3.28Å; R403-L407 PolarHBondContact O-N 3.25Å; Q404-L407 PolarHBondContact O-N 2.9Å; L407-I409 PolarHBondContact O-N 3.3Å; L407-R410 PolarHBondContact O-N 2.92Å; L407-R411 WeakPolarHBondContact O-CB 3.5Å; L407-R411 PolarHBondContact O-N 3.19Å; L407-E496 WeakPolarHBondContact CD2-OE2 3.37Å
408E92.1Very high93.2Very high115 Ų11589.9 Ų89.954%0.53741%0.406SS..Hα-helixtrans-60-44.7176.8-174.3179.4-17500112Q404 Q405 R410 R411 L412Q404-E408 WeakPolarHBondContact O-CB 3.46Å; Q404-E408 PolarHBondContact O-N 3.45Å; Q405-E408 PolarHBondContact O-N 2.95Å; E408-R410 PolarHBondContact O-N 3.33Å; E408-R411 WeakPolarHBondContact O-CB 3.4Å; E408-R411 PolarHBondContact O-N 2.89Å; E408-L412 HydrophobicContact CG-CD1 4.26Å; E408-L412 WeakPolarHBondContact O-CG 3.29Å; E408-L412 PolarHBondContact O-N 3.45Å
409I93Very high93.4Very high92 Ų9287.8 Ų87.847%0.47240%0.397SS..Hα-helixtrans-61.1-45176.1-70.9165.7000111Q405 R406 L407 L412 Q413Q405-I409 WeakPolarHBondContact O-CB 3.31Å; Q405-I409 WeakPolarHBondContact O-CD1 3.32Å; Q405-I409 VanDerWaalsContact O-CG1 3.23Å; Q405-I409 WeakPolarHBondContact O-CG1 3.48Å; Q405-I409 PolarHBondContact O-N 3.32Å; R406-I409 PolarHBondContact O-N 3.5Å; L407-I409 PolarHBondContact O-N 3.3Å; I409-L412 PolarHBondContact O-N 3.17Å; I409-Q413 HydrophobicContact CG2-CG 4.34Å; I409-Q413 WeakPolarHBondContact O-CB 3.41Å; I409-Q413 VanDerWaalsContact O-CG 3.28Å; I409-Q413 WeakPolarHBondContact O-CG 3.48Å; I409-Q413 PolarHBondContact O-N 2.92Å
410R91.5Very high93.5Very high139 Ų13988.5 Ų88.553%0.52540%0.399SS..Hα-helixtrans-62.5-43.4178.4-73.3-179.8-173.8176.47.3111.8R406 L407 E408 L412 Q413 R414 E496R406-R410 WeakPolarHBondContact O-CG 3.33Å; R406-R410 PolarHBondContact O-N 3Å; L407-R410 PolarHBondContact O-N 2.92Å; E408-R410 PolarHBondContact O-N 3.33Å; R410-L412 PolarHBondContact O-N 3.38Å; R410-Q413 PolarHBondContact O-N 3.24Å; R410-R414 PolarHBondContact O-N 3.38Å; R410-E496 IonicContact CZ-OE1 3.8Å; R410-E496 IonicContact NH1-OE1 2.68Å; R410-E496 PolarHBondContact NH1-OE1 3.23Å
411R92Very high93.7Very high79 Ų7987.9 Ų87.930%0.29840%0.403SS..Hα-helixtrans-54.5-52.2172.5166.8179.9-162.7-170.15.3111.3L407 E408 Q413 R414 K415 I484 D485 D488L407-R411 WeakPolarHBondContact O-CB 3.5Å; L407-R411 PolarHBondContact O-N 3.19Å; E408-R411 WeakPolarHBondContact O-CB 3.4Å; E408-R411 PolarHBondContact O-N 2.89Å; R411-Q413 VanDerWaalsContact C-N 3.35Å; R411-Q413 PolarHBondContact O-N 3.47Å; R411-R414 PolarHBondContact O-N 3.12Å; R411-K415 HydrophobicContact CG-CD 4.47Å; R411-K415 WeakPolarHBondContact O-CG 3.38Å; R411-K415 PolarHBondContact O-N 2.92Å; R411-I484 HydrophobicContact CG-CG2 4.35Å; R411-D485 IonicContact CZ-OD1 2.9Å; R411-D485 IonicContact NE-OD1 3.96Å; R411-D485 IonicContact NH2-OD1 2.68Å; R411-D485 PolarHBondContact NH2-OD1 2.87Å; R411-D488 VanDerWaalsContact CD-CG 3.49Å; R411-D488 WeakPolarHBondContact CD-OD2 3.4Å; R411-D488 WeakPolarHBondContact CG-OD2 3.46Å; R411-D488 IonicContact CZ-OD2 3.95Å; R411-D488 IonicContact NE-OD2 3.56Å; R411-D488 PolarHBondContact NE-OD2 2.85Å; R411-D488 IonicContact NH2-OD2 3.63Å
412L94.7Very high93.9Very high94 Ų9483.5 Ų83.549%0.49238%0.382SS..Hα-helixtrans-63.7-39.3-179.3-70.9174.1000112.2E408 I409 R410 K415 R416E408-L412 HydrophobicContact CG-CD1 4.26Å; E408-L412 WeakPolarHBondContact O-CG 3.29Å; E408-L412 PolarHBondContact O-N 3.45Å; I409-L412 PolarHBondContact O-N 3.17Å; R410-L412 PolarHBondContact O-N 3.38Å; L412-K415 PolarHBondContact O-N 3.23Å; L412-R416 VanDerWaalsContact O-CB 3.29Å; L412-R416 WeakPolarHBondContact O-CB 3.47Å; L412-R416 PolarHBondContact O-N 3.01Å
413Q94.2Very high94.1Very high96 Ų9683.2 Ų83.245%0.44939%0.386SS..Hα-helixtrans-61.7-43.2174.9-75.4175.6-6.600111.9I409 R410 R411 R416 G417I409-Q413 HydrophobicContact CG2-CG 4.34Å; I409-Q413 WeakPolarHBondContact O-CB 3.41Å; I409-Q413 VanDerWaalsContact O-CG 3.28Å; I409-Q413 WeakPolarHBondContact O-CG 3.48Å; I409-Q413 PolarHBondContact O-N 2.92Å; R410-Q413 PolarHBondContact O-N 3.24Å; R411-Q413 VanDerWaalsContact C-N 3.35Å; R411-Q413 PolarHBondContact O-N 3.47Å; Q413-R416 PolarHBondContact O-N 2.89Å; Q413-G417 PolarHBondContact O-N 3.44Å
414R93.6Very high94.6Very high125 Ų12582.9 Ų82.947%0.47240%0.398SS..Hα-helixtrans-63.5-47.1177.6-164-176.6176169-5.3111.5R410 R411 R416 G417 I418 I484R410-R414 PolarHBondContact O-N 3.38Å; R411-R414 PolarHBondContact O-N 3.12Å; R414-R416 PolarHBondContact O-N 3.34Å; R414-G417 PolarHBondContact O-N 3.43Å; R414-I418 PolarHBondContact O-N 3.22Å; R414-I484 HydrophobicContact CB-CD1 4.1Å; R414-I484 HydrophobicContact CG-CD1 3.56Å; R414-I484 HydrophobicContact CG-CG1 4.35Å
415K96.8Very high94.9Very high26 Ų2681.3 Ų81.311%0.11339%0.39CS..Hα-helixtrans-58.1-47.3174.6-71.6-177.1175.2-172.80112R411 L412 G417 I418 V419 L481 I484 D485R411-K415 HydrophobicContact CG-CD 4.47Å; R411-K415 WeakPolarHBondContact O-CG 3.38Å; R411-K415 PolarHBondContact O-N 2.92Å; L412-K415 PolarHBondContact O-N 3.23Å; K415-G417 VanDerWaalsContact C-N 3.34Å; K415-G417 PolarHBondContact O-N 3.17Å; K415-I418 PolarHBondContact O-N 3.34Å; K415-V419 WeakPolarHBondContact O-CG2 3.05Å; K415-V419 PolarHBondContact O-N 3.43Å; K415-L481 HydrophobicContact CB-CD2 3.89Å; K415-L481 HydrophobicContact CG-CD2 3.91Å; K415-I484 HydrophobicContact CG-CD1 4.28Å; K415-I484 HydrophobicContact CG-CG2 3.93Å; K415-D485 WeakPolarHBondContact CE-OD1 3.32Å; K415-D485 IonicContact NZ-OD1 2.59Å; K415-D485 PolarHBondContact NZ-OD1 2.86Å; K415-D485 IonicContact NZ-OD2 3.65Å
416R96.9Very high95.1Very high136 Ų13678.1 Ų78.151%0.51338%0.376SS..Hα-helixtrans-59-44.6177.8179.7-177.2174.1-168.2-0.4111.6L412 Q413 R414 I418 V419 M420L412-R416 VanDerWaalsContact O-CB 3.29Å; L412-R416 WeakPolarHBondContact O-CB 3.47Å; L412-R416 PolarHBondContact O-N 3.01Å; Q413-R416 PolarHBondContact O-N 2.89Å; R414-R416 PolarHBondContact O-N 3.34Å; R416-I418 VanDerWaalsContact C-N 3.32Å; R416-I418 PolarHBondContact O-N 3.19Å; R416-V419 PolarHBondContact O-N 2.88Å; R416-M420 HydrophobicContact CG-CG 4.32Å; R416-M420 HydrophobicContact CG-SD 4.02Å; R416-M420 WeakPolarHBondContact O-CB 3.31Å; R416-M420 WeakPolarHBondContact O-CG 3.39Å; R416-M420 PolarHBondContact O-N 2.96Å
417G95.4Very high95.4Very high34 Ų3476 Ų7635%0.35138%0.377SS..Hα-helixtrans-58.1-43.7178.800000112.6Q413 R414 K415 V421Q413-G417 PolarHBondContact O-N 3.44Å; R414-G417 PolarHBondContact O-N 3.43Å; K415-G417 VanDerWaalsContact C-N 3.34Å; K415-G417 PolarHBondContact O-N 3.17Å; G417-V421 WeakPolarHBondContact O-CG2 2.92Å; G417-V421 PolarHBondContact O-N 3.21Å
418I96Very high95.8Very high28 Ų2878.4 Ų78.414%0.14439%0.386CS..Hα-helixtrans-63.3-51.6176.9-73.8161.2000111.1R414 K415 R416 M420 V421 H422 M477 Q480 I484R414-I418 PolarHBondContact O-N 3.22Å; K415-I418 PolarHBondContact O-N 3.34Å; R416-I418 VanDerWaalsContact C-N 3.32Å; R416-I418 PolarHBondContact O-N 3.19Å; I418-M420 VanDerWaalsContact C-N 3.3Å; I418-M420 PolarHBondContact O-N 3.42Å; I418-V421 PolarHBondContact O-N 3.44Å; I418-H422 PolarHBondContact O-CD2 3.33Å; I418-H422 PolarHBondContact O-N 3.36Å; I418-H422 VanDerWaalsContact O-N 3.08Å; I418-M477 HydrophobicContact CG2-CG 4.44Å; I418-Q480 HydrophobicContact CD1-CB 4.18Å; I418-Q480 HydrophobicContact CG2-CB 4.04Å; I418-I484 HydrophobicContact CD1-CD1 3.17Å; I418-I484 HydrophobicContact CD1-CG1 4.3Å
419V97.4Very high96Very high37 Ų3774.2 Ų74.222%0.22437%0.367CS..Hα-helixtrans-56.4-46.4179.9172.50000110.8K415 R416 V421 H422 E423 L481K415-V419 WeakPolarHBondContact O-CG2 3.05Å; K415-V419 PolarHBondContact O-N 3.43Å; R416-V419 PolarHBondContact O-N 2.88Å; V419-V421 VanDerWaalsContact C-N 3.34Å; V419-V421 PolarHBondContact O-N 3.29Å; V419-H422 PolarHBondContact O-N 3.48Å; V419-E423 VanDerWaalsContact CG1-CD 3.43Å; V419-E423 HydrophobicContact CG1-CG 3.96Å; V419-E423 WeakPolarHBondContact CG1-OE1 3.41Å; V419-E423 VanDerWaalsContact O-CB 3.28Å; V419-E423 WeakPolarHBondContact O-CB 3.23Å; V419-E423 VanDerWaalsContact O-CG 3.26Å; V419-E423 WeakPolarHBondContact O-CG 3.22Å; V419-E423 PolarHBondContact O-N 3.02Å; V419-L481 HydrophobicContact CG2-CD1 4.1Å; V419-L481 HydrophobicContact CG2-CD2 4.17Å
420M97.4Very high96.2Very high96 Ų9675 Ų7547%0.47337%0.367SS..Hα-helixtrans-60.1-40.2-180-74.9-176.663.700113.3R416 I418 A424R416-M420 HydrophobicContact CG-CG 4.32Å; R416-M420 HydrophobicContact CG-SD 4.02Å; R416-M420 WeakPolarHBondContact O-CB 3.31Å; R416-M420 WeakPolarHBondContact O-CG 3.39Å; R416-M420 PolarHBondContact O-N 2.96Å; I418-M420 VanDerWaalsContact C-N 3.3Å; I418-M420 PolarHBondContact O-N 3.42Å; M420-A424 WeakPolarHBondContact O-CB 3.37Å; M420-A424 PolarHBondContact O-N 3.3Å; M420-A424 VanDerWaalsContact O-N 3.17Å
421V97.2Very high96.4Very high99 Ų9975.7 Ų75.760%0.637%0.37SS*.Hα-helixtrans-67.8-48.8179.2171.90000110.8G417 I418 V419 A424 E425G417-V421 WeakPolarHBondContact O-CG2 2.92Å; G417-V421 PolarHBondContact O-N 3.21Å; I418-V421 PolarHBondContact O-N 3.44Å; V419-V421 VanDerWaalsContact C-N 3.34Å; V419-V421 PolarHBondContact O-N 3.29Å; V421-A424 PolarHBondContact O-N 2.98Å; V421-E425 PolarHBondContact O-N 3.48Å; V421-E425 VanDerWaalsContact O-N 3.15Å
422H97.9Very high96.6Very high15 Ų1573.8 Ų73.87%0.06937%0.365CS..Hα-helixtrans-67.7-37.3-179.7-74.4-74.9000112.5I418 V419 E425 I426 V473 M477 Q480I418-H422 PolarHBondContact O-CD2 3.33Å; I418-H422 PolarHBondContact O-N 3.36Å; I418-H422 VanDerWaalsContact O-N 3.08Å; V419-H422 PolarHBondContact O-N 3.48Å; H422-E425 PolarHBondContact O-N 3Å; H422-I426 WeakPolarHBondContact O-CB 3.26Å; H422-I426 VanDerWaalsContact O-CG1 3.24Å; H422-I426 WeakPolarHBondContact O-CG1 3.4Å; H422-I426 PolarHBondContact O-N 2.88Å; H422-V473 HydrophobicContact CB-CG1 4.3Å; H422-M477 HydrophobicContact CB-CB 3.9Å; H422-M477 HydrophobicContact CB-CG 3.82Å; H422-M477 HydrophobicContact CB-SD 3.86Å; H422-Q480 PolarHBondContact NE2-NE2 3.07Å; H422-Q480 PolarHBondContact NE2-OE1 3.45Å
423E97.4Very high96.7Very high114 Ų11472 Ų7253%0.53335%0.354SS..Hα-helixtrans-64.4-39.7175.3-77.2-179165.300112.3V419 E425 I426 C427V419-E423 VanDerWaalsContact CG1-CD 3.43Å; V419-E423 HydrophobicContact CG1-CG 3.96Å; V419-E423 WeakPolarHBondContact CG1-OE1 3.41Å; V419-E423 VanDerWaalsContact O-CB 3.28Å; V419-E423 WeakPolarHBondContact O-CB 3.23Å; V419-E423 VanDerWaalsContact O-CG 3.26Å; V419-E423 WeakPolarHBondContact O-CG 3.22Å; V419-E423 PolarHBondContact O-N 3.02Å; E423-E425 VanDerWaalsContact C-N 3.33Å; E423-I426 PolarHBondContact O-N 2.66Å; E423-C427 VanDerWaalsContact O-CB 3.23Å; E423-C427 WeakPolarHBondContact O-CB 3.45Å; E423-C427 PolarHBondContact O-N 3.13Å
424A97.6Very high96.8Very high60 Ų6070.1 Ų70.150%0.49635%0.352SS..Hα-helixtrans-62.8-41175.200000111.5M420 V421 C427 H428M420-A424 WeakPolarHBondContact O-CB 3.37Å; M420-A424 PolarHBondContact O-N 3.3Å; M420-A424 VanDerWaalsContact O-N 3.17Å; V421-A424 PolarHBondContact O-N 2.98Å; A424-C427 PolarHBondContact O-N 3.17Å; A424-H428 PolarHBondContact O-N 3.33Å
425E97.5Very high97Very high86 Ų8667.4 Ų67.440%0.40234%0.344SS..Hα-helixtrans-63.9-50.2174.4-176.2170.4-170.900111.5V421 H422 E423 C427 H428 M429 V473V421-E425 PolarHBondContact O-N 3.48Å; V421-E425 VanDerWaalsContact O-N 3.15Å; H422-E425 PolarHBondContact O-N 3Å; E423-E425 VanDerWaalsContact C-N 3.33Å; E425-C427 VanDerWaalsContact C-N 3.28Å; E425-C427 PolarHBondContact O-N 2.88Å; E425-H428 WeakPolarHBondContact O-CA 3.44Å; E425-H428 WeakPolarHBondContact O-CB 3.32Å; E425-H428 PolarHBondContact O-N 2.9Å; E425-M429 WeakPolarHBondContact O-CG 3.23Å; E425-M429 PolarHBondContact O-N 3.01Å; E425-V473 HydrophobicContact CG-CG1 4.39Å; E425-V473 HydrophobicContact CG-CG2 4.41Å
426I98Very high97Very high13 Ų1366.4 Ų66.47%0.06734%0.339CS..Hα-helixtrans-58.5-41.4176.6-68164.9000110.9H422 E423 H428 M429 K430 I470 V473 R474H422-I426 WeakPolarHBondContact O-CB 3.26Å; H422-I426 VanDerWaalsContact O-CG1 3.24Å; H422-I426 WeakPolarHBondContact O-CG1 3.4Å; H422-I426 PolarHBondContact O-N 2.88Å; E423-I426 PolarHBondContact O-N 2.66Å; I426-H428 VanDerWaalsContact C-N 3.35Å; I426-M429 PolarHBondContact O-N 2.95Å; I426-K430 HydrophobicContact CG2-CD 4.18Å; I426-K430 HydrophobicContact CG2-CG 4.38Å; I426-K430 WeakPolarHBondContact O-CB 3.34Å; I426-K430 VanDerWaalsContact O-CG 3.3Å; I426-K430 WeakPolarHBondContact O-CG 3.28Å; I426-K430 PolarHBondContact O-N 3.41Å; I426-I470 HydrophobicContact CG1-CG2 4.47Å; I426-I470 HydrophobicContact CG2-CG2 4.1Å; I426-V473 HydrophobicContact CD1-CG1 4.21Å; I426-V473 HydrophobicContact CG1-CB 4.4Å; I426-V473 HydrophobicContact CG1-CG1 3.84Å; I426-R474 HydrophobicContact CD1-CG 3.66Å
427C97.6Very high97Very high63 Ų6361.3 Ų61.343%0.42632%0.324SS..Hα-helixtrans-62.3-41.7176-177.50000111.7E423 A424 E425 R431E423-C427 VanDerWaalsContact O-CB 3.23Å; E423-C427 WeakPolarHBondContact O-CB 3.45Å; E423-C427 PolarHBondContact O-N 3.13Å; A424-C427 PolarHBondContact O-N 3.17Å; E425-C427 VanDerWaalsContact C-N 3.28Å; E425-C427 PolarHBondContact O-N 2.88Å; C427-R431 PolarHBondContact O-N 3.44Å; C427-R431 PolarHBondContact O-NE 3.41Å
428H96.6Very high97.1Very high99 Ų9961.4 Ų61.446%0.45832%0.317SS..Hα-helixtrans-61.5-46.9173.4179.262.3000111.9A424 E425 I426 K430 R431 L432A424-H428 PolarHBondContact O-N 3.33Å; E425-H428 WeakPolarHBondContact O-CA 3.44Å; E425-H428 WeakPolarHBondContact O-CB 3.32Å; E425-H428 PolarHBondContact O-N 2.9Å; I426-H428 VanDerWaalsContact C-N 3.35Å; H428-K430 PolarHBondContact O-N 3.05Å; H428-R431 WeakPolarHBondContact O-CB 3.41Å; H428-R431 PolarHBondContact O-N 3.39Å; H428-L432 PolarHBondContact O-N 2.7Å
429M96.8Very high97Very high27 Ų2767.2 Ų67.213%0.13335%0.354CS..Hα-helixtrans-64.5-39178.8-62.4-170.5112.600113E425 I426 R431 L432 Q433 L466 S469 I470 V473E425-M429 WeakPolarHBondContact O-CG 3.23Å; E425-M429 PolarHBondContact O-N 3.01Å; I426-M429 PolarHBondContact O-N 2.95Å; M429-R431 VanDerWaalsContact C-N 3.31Å; M429-R431 PolarHBondContact O-N 2.89Å; M429-L432 WeakPolarHBondContact O-CA 3.37Å; M429-L432 WeakPolarHBondContact O-CB 3.48Å; M429-L432 PolarHBondContact O-N 3.49Å; M429-L432 VanDerWaalsContact O-N 3.09Å; M429-Q433 PolarHBondContact O-N 3.24Å; M429-Q433 VanDerWaalsContact O-N 3.16Å; M429-L466 HydrophobicContact CE-CD2 4.28Å; M429-S469 WeakPolarHBondContact CE-OG 3.38Å; M429-I470 HydrophobicContact CB-CD1 3.85Å; M429-I470 HydrophobicContact CB-CG1 3.63Å; M429-I470 HydrophobicContact CG-CG1 4.35Å; M429-I470 HydrophobicContact SD-CG1 3.8Å; M429-V473 HydrophobicContact SD-CG2 4.29Å
430K97.3Very high96.9Very high109 Ų10968.9 Ų68.947%0.47436%0.364SS..Hα-helixtrans-58.8-41.6173.9-78.4177.2176.2-177.60111.9I426 H428 L432 Q433 I470I426-K430 HydrophobicContact CG2-CD 4.18Å; I426-K430 HydrophobicContact CG2-CG 4.38Å; I426-K430 WeakPolarHBondContact O-CB 3.34Å; I426-K430 VanDerWaalsContact O-CG 3.3Å; I426-K430 WeakPolarHBondContact O-CG 3.28Å; I426-K430 PolarHBondContact O-N 3.41Å; H428-K430 PolarHBondContact O-N 3.05Å; K430-L432 VanDerWaalsContact C-N 3.27Å; K430-L432 PolarHBondContact O-N 2.97Å; K430-Q433 WeakPolarHBondContact O-CB 3.26Å; K430-Q433 PolarHBondContact O-N 2.83Å; K430-I470 HydrophobicContact CG-CD1 4.25Å
431R96Very high96.8Very high153 Ų15373.5 Ų73.558%0.57739%0.385SS*.Hα-helixtrans-62.1-36.8174.5-72.9-178.3-78.7176.4-4.1111.9C427 H428 M429 Q433 S434C427-R431 PolarHBondContact O-N 3.44Å; C427-R431 PolarHBondContact O-NE 3.41Å; H428-R431 WeakPolarHBondContact O-CB 3.41Å; H428-R431 PolarHBondContact O-N 3.39Å; M429-R431 VanDerWaalsContact C-N 3.31Å; M429-R431 PolarHBondContact O-N 2.89Å; R431-Q433 VanDerWaalsContact C-N 3.29Å; R431-Q433 PolarHBondContact O-N 2.83Å; R431-S434 PolarHBondContact O-OG 3.29Å
432L96.2Very high96.7Very high39 Ų3974.1 Ų74.120%0.20439%0.391CS..Hα-helixtrans-72.4-15.3177.5-65.7179.2000114.4H428 M429 K430 S434 F435 C445 L466H428-L432 PolarHBondContact O-N 2.7Å; M429-L432 WeakPolarHBondContact O-CA 3.37Å; M429-L432 WeakPolarHBondContact O-CB 3.48Å; M429-L432 PolarHBondContact O-N 3.49Å; M429-L432 VanDerWaalsContact O-N 3.09Å; K430-L432 VanDerWaalsContact C-N 3.27Å; K430-L432 PolarHBondContact O-N 2.97Å; L432-S434 PolarHBondContact O-N 2.97Å; L432-S434 VanDerWaalsContact O-N 3.09Å; L432-F435 HydrophobicContact CD2-CD2 4.43Å; L432-F435 PolarHBondContact O-N 3.31Å; L432-C445 HydrophobicContact CD2-CB 4.37Å; L432-L466 HydrophobicContact CB-CD1 3.99Å; L432-L466 HydrophobicContact CB-CD2 4.46Å; L432-L466 WeakPolarHBondContact O-CD1 3.44Å
433Q96.6Very high96.5Very high56 Ų5680 Ų8026%0.26242%0.418SS..THydrogen-bonded Turntrans-59.2-25.4-179-73.1-179-24.300113.5M429 K430 R431 F435 H459 L466M429-Q433 PolarHBondContact O-N 3.24Å; M429-Q433 VanDerWaalsContact O-N 3.16Å; K430-Q433 WeakPolarHBondContact O-CB 3.26Å; K430-Q433 PolarHBondContact O-N 2.83Å; R431-Q433 VanDerWaalsContact C-N 3.29Å; R431-Q433 PolarHBondContact O-N 2.83Å; Q433-F435 VanDerWaalsContact C-N 3.3Å; Q433-F435 PolarHBondContact O-N 2.83Å; Q433-H459 PolarHBondContact O-CE1 3.42Å; Q433-L466 HydrophobicContact CG-CB 4.36Å; Q433-L466 HydrophobicContact CG-CD1 4.39Å
434S95.9Very high96.5Very high57 Ų5779.2 Ų79.240%0.39942%0.416SS..THydrogen-bonded Turntrans-74.5-15.8176.561.40000113.9R431 L432 L447 H459R431-S434 PolarHBondContact O-OG 3.29Å; L432-S434 PolarHBondContact O-N 2.97Å; L432-S434 VanDerWaalsContact O-N 3.09Å; S434-L447 WeakPolarHBondContact O-CD1 3.44Å; S434-H459 VanDerWaalsContact C-CE1 3.49Å; S434-H459 PolarHBondContact O-CE1 3.06Å
435F98Very high96.4Very high69 Ų6978.7 Ų78.730%0.30341%0.409SS..SBendtrans-99.5157.1-173.9-63.9-92.2000112.9L432 Q433 C445 L447 S462L432-F435 HydrophobicContact CD2-CD2 4.43Å; L432-F435 PolarHBondContact O-N 3.31Å; Q433-F435 VanDerWaalsContact C-N 3.3Å; Q433-F435 PolarHBondContact O-N 2.83Å; F435-C445 HydrophobicContact CB-CB 3.92Å; F435-C445 HydrophobicContact CD1-CB 4.5Å; F435-C445 HydrophobicContact CG-CB 4.25Å; F435-L447 HydrophobicContact CD1-CB 3.88Å; F435-L447 HydrophobicContact CE1-CB 4.05Å; F435-S462 PolarHBondContact O-OG 3.15Å
436I98.2Very high96.5Very high4 Ų478.9 Ų78.92%0.02141%0.406CS..EExtended strand (participates in β ladder)trans-87.6121.8166.1-56178.5000107.8C445 Y446 P448 T455 L458 H459I436-C445 WeakPolarHBondContact O-CA 2.9Å; I436-Y446 HydrophobicContact CB-CD1 4.23Å; I436-Y446 HydrophobicContact CB-CE1 3.81Å; I436-Y446 HydrophobicContact CB-CE2 4.37Å; I436-Y446 HydrophobicContact CD1-CE2 4.19Å; I436-Y446 HydrophobicContact CG2-CE1 3.68Å; I436-Y446 PolarHBondContact N-O 2.59Å; I436-Y446 WeakPolarHBondContact O-CD1 3.35Å; I436-Y446 PolarHBondContact O-N 3.4Å; I436-P448 HydrophobicContact CD1-CG 3.78Å; I436-T455 WeakPolarHBondContact CD1-O 3.24Å; I436-L458 HydrophobicContact CD1-CB 4.36Å; I436-L458 HydrophobicContact CG2-CB 3.89Å; I436-H459 HydrophobicContact CD1-CB 4.23Å; I436-H459 HydrophobicContact CG1-CB 3.84Å
437V97.1Very high96.4Very high30 Ų3082.7 Ų82.718%0.18243%0.426CS..EExtended strand (participates in β ladder)trans-95128.8178.6-175.70000109.5Q443 L466V437-Q443 HydrophobicContact CG1-CB 4.01Å; V437-Q443 HydrophobicContact CG1-CG 4.2Å; V437-L466 HydrophobicContact CG2-CD1 4.22Å
438T96.6Very high96.4Very high35 Ų3581.1 Ų81.122%0.21542%0.415CS..PPolyproline II helixtrans-78.6155174.361.30000111.9T440 I444 Y446T438-T440 PolarHBondContact O-N 3.36Å; T438-T440 PolarHBondContact OG1-OG1 2.88Å; T438-I444 HydrophobicContact CG2-CB 4.13Å; T438-I444 PolarHBondContact N-O 3.2Å; T438-I444 PolarHBondContact OG1-N 3.08Å; T438-I444 PolarHBondContact OG1-O 3.06Å; T438-Y446 HydrophobicContact CG2-CD1 4.17Å; T438-Y446 HydrophobicContact CG2-CE1 3.92Å
439V94.4Very high96.5Very high151 Ų15181.7 Ų81.792%0.91544%0.437SS*.SBendtrans-77.1-3.8175.7-173.80000112
440T95.3Very high96.5Very high71 Ų7188.4 Ų88.444%0.43647%0.465SS..SBendtrans-71.2157.9-177.556.10000112T438 P442 Q443T438-T440 PolarHBondContact O-N 3.36Å; T438-T440 PolarHBondContact OG1-OG1 2.88Å; T440-P442 CarbonylContact C-O 3.1Å; T440-P442 VanDerWaalsContact C-O 3.28Å; T440-P442 CarbonylContact O-C 3.28Å; T440-P442 VanDerWaalsContact O-O 3.07Å; T440-P442 PolarHBondContact OG1-O 2.84Å; T440-Q443 VanDerWaalsContact O-CA 3.28Å; T440-Q443 WeakPolarHBondContact O-CA 3.49Å; T440-Q443 WeakPolarHBondContact O-CG 3.31Å; T440-Q443 PolarHBondContact O-N 3.36Å; T440-Q443 VanDerWaalsContact O-N 3.12Å
441Q94.7Very high96.6Very high194 Ų19487.1 Ų87.191%0.90746%0.461SS*.SBendtrans-116.1112.3168.1-67.2-177.6-2.600107.8
442P94.1Very high96.6Very high112 Ų11283.8 Ų83.873%0.72746%0.458SS*.SBendcis-69.9152.72.930.3-35.7000113.5T440T440-P442 CarbonylContact C-O 3.1Å; T440-P442 VanDerWaalsContact C-O 3.28Å; T440-P442 CarbonylContact O-C 3.28Å; T440-P442 VanDerWaalsContact O-O 3.07Å; T440-P442 PolarHBondContact OG1-O 2.84Å
443Q95Very high96.7Very high137 Ų13787.9 Ų87.964%0.6448%0.478SS*.  trans-70.3132.1174.5-68.4-179.2-0.600109.3V437 T440V437-Q443 HydrophobicContact CG1-CB 4.01Å; V437-Q443 HydrophobicContact CG1-CG 4.2Å; T440-Q443 VanDerWaalsContact O-CA 3.28Å; T440-Q443 WeakPolarHBondContact O-CA 3.49Å; T440-Q443 WeakPolarHBondContact O-CG 3.31Å; T440-Q443 PolarHBondContact O-N 3.36Å; T440-Q443 VanDerWaalsContact O-N 3.12Å
444I96.6Very high96.8Very high98 Ų9894.3 Ų94.350%0.50350%0.5SS..  trans-107.9124.5177-56.1173.9000107T438T438-I444 HydrophobicContact CG2-CB 4.13Å; T438-I444 PolarHBondContact N-O 3.2Å; T438-I444 PolarHBondContact OG1-N 3.08Å; T438-I444 PolarHBondContact OG1-O 3.06Å
445C96.9Very high96.9Very high49 Ų4992.6 Ų92.633%0.33149%0.487SS..EExtended strand (participates in β ladder)trans-97.6124.8173.9-60.70000108.4L432 F435 I436L432-C445 HydrophobicContact CD2-CB 4.37Å; F435-C445 HydrophobicContact CB-CB 3.92Å; F435-C445 HydrophobicContact CD1-CB 4.5Å; F435-C445 HydrophobicContact CG-CB 4.25Å; I436-C445 WeakPolarHBondContact O-CA 2.9Å
446Y97.9Very high96.9Very high90 Ų9093.5 Ų93.535%0.35349%0.494SS..EExtended strand (participates in β ladder)trans-140152.9177.673.7-80.6000111.5I436 T438 P448I436-Y446 HydrophobicContact CB-CD1 4.23Å; I436-Y446 HydrophobicContact CB-CE1 3.81Å; I436-Y446 HydrophobicContact CB-CE2 4.37Å; I436-Y446 HydrophobicContact CD1-CE2 4.19Å; I436-Y446 HydrophobicContact CG2-CE1 3.68Å; I436-Y446 PolarHBondContact N-O 2.59Å; I436-Y446 WeakPolarHBondContact O-CD1 3.35Å; I436-Y446 PolarHBondContact O-N 3.4Å; T438-Y446 HydrophobicContact CG2-CD1 4.17Å; T438-Y446 HydrophobicContact CG2-CE1 3.92Å; Y446-P448 HydrophobicContact CD2-CG 4.29Å; Y446-P448 HydrophobicContact CE2-CG 3.96Å
447L97.3Very high96.9Very high94 Ų9498.3 Ų98.349%0.49252%0.516SS..  trans-123115.7177-176.662000109.3S434 F435S434-L447 WeakPolarHBondContact O-CD1 3.44Å; F435-L447 HydrophobicContact CD1-CB 3.88Å; F435-L447 HydrophobicContact CE1-CB 4.05Å
448P97.6Very high96.9Very high30 Ų3099.8 Ų99.820%0.19552%0.523CS..  trans-64.8142.6176.3-19.831.2000112.1I436 Y446 K450 T455I436-P448 HydrophobicContact CD1-CG 3.78Å; Y446-P448 HydrophobicContact CD2-CG 4.29Å; Y446-P448 HydrophobicContact CE2-CG 3.96Å; P448-K450 PolarHBondContact O-N 2.68Å; P448-T455 HydrophobicContact CG-CG2 4.1Å
449A97.4Very high96.9Very high110 Ų110100 Ų10091%0.90952%0.521SS*.SBendtrans-62.4-29.7174.400000113.4
450K97.9Very high97.1Very high168 Ų16898.6 Ų98.673%0.7350%0.503SS*.SBendtrans-140.1124.7173-65.9179.9-177.1173.80109P448 T452P448-K450 PolarHBondContact O-N 2.68Å; K450-T452 PolarHBondContact O-N 3.03Å
451H97.8Very high97.2Very high82 Ų82101.1 Ų101.138%0.3851%0.508SS..  trans-73.3123.8175.6-77-73.9000111.7T455 M456H451-T455 VanDerWaalsContact CA-OG1 3.28Å; H451-T455 WeakPolarHBondContact CA-OG1 3.34Å; H451-T455 PolarHBondContact ND1-OG1 3.04Å; H451-M456 HydrophobicContact CB-CG 3.69Å
452T97.9Very high97.3Very high83 Ų8392.3 Ų92.351%0.50947%0.467SS..  trans-86.5163.8159.965.10000110.3K450 R454 T455 M456K450-T452 PolarHBondContact O-N 3.03Å; T452-R454 VanDerWaalsContact C-N 3.27Å; T452-R454 PolarHBondContact O-N 3.45Å; T452-T455 PolarHBondContact N-OG1 3.5Å; T452-T455 PolarHBondContact O-N 3.25Å; T452-T455 PolarHBondContact O-OG1 3.29Å; T452-T455 WeakPolarHBondContact OG1-CG2 3.32Å; T452-T455 PolarHBondContact OG1-N 3.39Å; T452-T455 PolarHBondContact OG1-OG1 3.15Å; T452-M456 WeakPolarHBondContact O-CG 3.47Å; T452-M456 PolarHBondContact O-N 3.33Å
453I98Very high97.5Very high125 Ų12590.1 Ų90.164%0.64145%0.448SS*.Hα-helixtrans-51.1-47.2178.2-60172.2000111.2T455 M456 E457I453-T455 PolarHBondContact O-N 3.21Å; I453-M456 PolarHBondContact O-N 3.41Å; I453-E457 PolarHBondContact O-N 3.2Å
454R97.6Very high97.6Very high191 Ų19191 Ų9172%0.72145%0.445SS*.Hα-helixtrans-58.3-44176.2-176.3179.7177.1-174.1-0.2112.7T452 E457 L458T452-R454 VanDerWaalsContact C-N 3.27Å; T452-R454 PolarHBondContact O-N 3.45Å; R454-E457 PolarHBondContact O-N 3.16Å; R454-L458 WeakPolarHBondContact O-CG 3.45Å; R454-L458 PolarHBondContact O-N 2.92Å
455T97.8Very high97.7Very high21 Ų2190.7 Ų90.713%0.12945%0.448CS..Hα-helixtrans-71.8-29.8179.1600000112.9I436 P448 H451 T452 I453 L458 H459I436-T455 WeakPolarHBondContact CD1-O 3.24Å; P448-T455 HydrophobicContact CG-CG2 4.1Å; H451-T455 VanDerWaalsContact CA-OG1 3.28Å; H451-T455 WeakPolarHBondContact CA-OG1 3.34Å; H451-T455 PolarHBondContact ND1-OG1 3.04Å; T452-T455 PolarHBondContact N-OG1 3.5Å; T452-T455 PolarHBondContact O-N 3.25Å; T452-T455 PolarHBondContact O-OG1 3.29Å; T452-T455 WeakPolarHBondContact OG1-CG2 3.32Å; T452-T455 PolarHBondContact OG1-N 3.39Å; T452-T455 PolarHBondContact OG1-OG1 3.15Å; I453-T455 PolarHBondContact O-N 3.21Å; T455-L458 PolarHBondContact O-N 2.9Å; T455-H459 WeakPolarHBondContact O-CB 3.46Å; T455-H459 PolarHBondContact O-N 3.48Å
456M98Very high97.6Very high88 Ų8889 Ų8943%0.43344%0.435SS..Hα-helixtrans-67-39.6172.5-65.2-164.3-47.500111.3H451 T452 I453 H459 K460H451-M456 HydrophobicContact CB-CG 3.69Å; T452-M456 WeakPolarHBondContact O-CG 3.47Å; T452-M456 PolarHBondContact O-N 3.33Å; I453-M456 PolarHBondContact O-N 3.41Å; M456-H459 PolarHBondContact O-N 3.19Å; M456-K460 WeakPolarHBondContact O-CG 3.35Å; M456-K460 PolarHBondContact O-N 3.45Å
457E98Very high97.6Very high105 Ų10588.8 Ų88.849%0.49144%0.437SS..Hα-helixtrans-63.5-42.4174-70.4175.1-174.400111.8I453 R454 K460 K461I453-E457 PolarHBondContact O-N 3.2Å; R454-E457 PolarHBondContact O-N 3.16Å; E457-K460 PolarHBondContact O-N 3.2Å; E457-K461 VanDerWaalsContact O-CG 3.27Å; E457-K461 WeakPolarHBondContact O-CG 3.34Å; E457-K461 PolarHBondContact O-N 3.21Å
458L97.8Very high97.7Very high61 Ų6189.9 Ų89.932%0.31944%0.44SS..Hα-helixtrans-63.6-41.7175.1-72172.6000112.1I436 R454 T455 K461 S462I436-L458 HydrophobicContact CD1-CB 4.36Å; I436-L458 HydrophobicContact CG2-CB 3.89Å; R454-L458 WeakPolarHBondContact O-CG 3.45Å; R454-L458 PolarHBondContact O-N 2.92Å; T455-L458 PolarHBondContact O-N 2.9Å; L458-K461 WeakPolarHBondContact O-CB 3.3Å; L458-K461 PolarHBondContact O-N 3.43Å; L458-S462 PolarHBondContact O-N 3.19Å; L458-S462 PolarHBondContact O-OG 3.16Å
459H97.9Very high97.6Very high41 Ų4189.8 Ų89.819%0.1944%0.44CS..Hα-helixtrans-62.9-44.7175.8-178.653.7000112.2Q433 S434 I436 T455 M456 K461 S462 Q463Q433-H459 PolarHBondContact O-CE1 3.42Å; S434-H459 VanDerWaalsContact C-CE1 3.49Å; S434-H459 PolarHBondContact O-CE1 3.06Å; I436-H459 HydrophobicContact CD1-CB 4.23Å; I436-H459 HydrophobicContact CG1-CB 3.84Å; T455-H459 WeakPolarHBondContact O-CB 3.46Å; T455-H459 PolarHBondContact O-N 3.48Å; M456-H459 PolarHBondContact O-N 3.19Å; H459-K461 VanDerWaalsContact C-N 3.28Å; H459-K461 PolarHBondContact O-N 3.4Å; H459-S462 WeakPolarHBondContact CA-OG 3.43Å; H459-S462 PolarHBondContact O-N 3.31Å; H459-S462 PolarHBondContact O-OG 3.33Å; H459-Q463 WeakPolarHBondContact O-CB 3.44Å; H459-Q463 PolarHBondContact O-N 2.9Å
460K98Very high97.6Very high121 Ų12185 Ų8553%0.52640%0.399SS..Hα-helixtrans-62-36174.1-73179179.7-175.10112.3M456 E457 R464M456-K460 WeakPolarHBondContact O-CG 3.35Å; M456-K460 PolarHBondContact O-N 3.45Å; E457-K460 PolarHBondContact O-N 3.2Å; K460-R464 VanDerWaalsContact O-CG 3.3Å; K460-R464 WeakPolarHBondContact O-CG 3.5Å; K460-R464 PolarHBondContact O-N 3.48Å; K460-R464 VanDerWaalsContact O-N 3.17Å
461K97.5Very high97.7Very high123 Ų12379.7 Ų79.754%0.53539%0.386SS..Hα-helixtrans-67-46174.6-73.4171.6-177.3178.90111.5E457 L458 H459 R464 V465E457-K461 VanDerWaalsContact O-CG 3.27Å; E457-K461 WeakPolarHBondContact O-CG 3.34Å; E457-K461 PolarHBondContact O-N 3.21Å; L458-K461 WeakPolarHBondContact O-CB 3.3Å; L458-K461 PolarHBondContact O-N 3.43Å; H459-K461 VanDerWaalsContact C-N 3.28Å; H459-K461 PolarHBondContact O-N 3.4Å; K461-R464 PolarHBondContact O-N 3.05Å; K461-V465 WeakPolarHBondContact O-CG2 3.38Å; K461-V465 PolarHBondContact O-N 3.24Å; K461-V465 VanDerWaalsContact O-N 3.12Å
462S97.1Very high97.7Very high9 Ų981.9 Ų81.96%0.06340%0.395CS..Hα-helixtrans-65.5-39.2178.259.90000112.2F435 L458 H459 R464 V465 L466F435-S462 PolarHBondContact O-OG 3.15Å; L458-S462 PolarHBondContact O-N 3.19Å; L458-S462 PolarHBondContact O-OG 3.16Å; H459-S462 WeakPolarHBondContact CA-OG 3.43Å; H459-S462 PolarHBondContact O-N 3.31Å; H459-S462 PolarHBondContact O-OG 3.33Å; S462-R464 PolarHBondContact O-N 3.09Å; S462-V465 PolarHBondContact O-N 3.45Å; S462-L466 WeakPolarHBondContact O-CG 3.39Å; S462-L466 PolarHBondContact O-N 2.88Å
463Q97.6Very high97.6Very high67 Ų6778.5 Ų78.531%0.31337%0.374SS..Hα-helixtrans-58.9-46.8174.8-173.3-175.6-7.800111.6H459 V465 L466 E467H459-Q463 WeakPolarHBondContact O-CB 3.44Å; H459-Q463 PolarHBondContact O-N 2.9Å; Q463-V465 PolarHBondContact O-N 3.05Å; Q463-L466 PolarHBondContact O-N 3.19Å; Q463-E467 HydrophobicContact CG-CG 4.5Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.33Å; Q463-E467 PolarHBondContact NE2-OE1 3.43Å; Q463-E467 WeakPolarHBondContact O-CB 3.27Å; Q463-E467 WeakPolarHBondContact O-CG 3.28Å; Q463-E467 PolarHBondContact O-N 2.83Å
464R97.7Very high97.6Very high155 Ų15578.2 Ų78.259%0.58537%0.365SS*.Hα-helixtrans-60.6-44.3176.5-72.6173.5-170.7173.90.3112.6K460 K461 S462 L466 E467 E468K460-R464 VanDerWaalsContact O-CG 3.3Å; K460-R464 WeakPolarHBondContact O-CG 3.5Å; K460-R464 PolarHBondContact O-N 3.48Å; K460-R464 VanDerWaalsContact O-N 3.17Å; K461-R464 PolarHBondContact O-N 3.05Å; S462-R464 PolarHBondContact O-N 3.09Å; R464-L466 VanDerWaalsContact C-N 3.31Å; R464-L466 PolarHBondContact O-N 3.11Å; R464-E467 PolarHBondContact O-N 2.97Å; R464-E468 WeakPolarHBondContact O-CG 3.32Å; R464-E468 PolarHBondContact O-N 3.04Å
465V96.7Very high97.6Very high92 Ų9275.5 Ų75.556%0.55836%0.36SS*.Hα-helixtrans-61.7-41.6177.2172.90000111K461 S462 Q463 S469K461-V465 WeakPolarHBondContact O-CG2 3.38Å; K461-V465 PolarHBondContact O-N 3.24Å; K461-V465 VanDerWaalsContact O-N 3.12Å; S462-V465 PolarHBondContact O-N 3.45Å; Q463-V465 PolarHBondContact O-N 3.05Å; V465-S469 WeakPolarHBondContact O-CB 3.27Å; V465-S469 PolarHBondContact O-N 3.45Å; V465-S469 PolarHBondContact O-OG 3.43Å
466L96.8Very high97.6Very high12 Ų1278.6 Ų78.66%0.06338%0.376CS..Hα-helixtrans-66.6-42.1176.1-74.2171.1000111.9M429 L432 Q433 V437 S462 Q463 R464 S469 I470M429-L466 HydrophobicContact CE-CD2 4.28Å; L432-L466 HydrophobicContact CB-CD1 3.99Å; L432-L466 HydrophobicContact CB-CD2 4.46Å; L432-L466 WeakPolarHBondContact O-CD1 3.44Å; Q433-L466 HydrophobicContact CG-CB 4.36Å; Q433-L466 HydrophobicContact CG-CD1 4.39Å; V437-L466 HydrophobicContact CG2-CD1 4.22Å; S462-L466 WeakPolarHBondContact O-CG 3.39Å; S462-L466 PolarHBondContact O-N 2.88Å; Q463-L466 PolarHBondContact O-N 3.19Å; R464-L466 VanDerWaalsContact C-N 3.31Å; R464-L466 PolarHBondContact O-N 3.11Å; L466-S469 VanDerWaalsContact CA-OG 3.28Å; L466-S469 WeakPolarHBondContact CA-OG 3.46Å; L466-S469 PolarHBondContact O-N 2.89Å; L466-S469 PolarHBondContact O-OG 3.47Å; L466-I470 VanDerWaalsContact O-CG1 3.27Å; L466-I470 WeakPolarHBondContact O-CG1 3.42Å; L466-I470 PolarHBondContact O-N 3.26Å
467E97.8Very high97.6Very high86 Ų8675.9 Ų75.940%0.40236%0.363SS..Hα-helixtrans-61.2-43.9175.1-74.2168.3-177.300112.2Q463 R464 S469 I470 A471Q463-E467 HydrophobicContact CG-CG 4.5Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.33Å; Q463-E467 PolarHBondContact NE2-OE1 3.43Å; Q463-E467 WeakPolarHBondContact O-CB 3.27Å; Q463-E467 WeakPolarHBondContact O-CG 3.28Å; Q463-E467 PolarHBondContact O-N 2.83Å; R464-E467 PolarHBondContact O-N 2.97Å; E467-S469 VanDerWaalsContact C-N 3.34Å; E467-S469 PolarHBondContact O-N 2.86Å; E467-I470 PolarHBondContact O-N 3.2Å; E467-A471 PolarHBondContact O-N 3.49Å
468E97.8Very high97.6Very high118 Ų11874.2 Ų74.255%0.55136%0.357SS*.Hα-helixtrans-60.9-42173.5-73.7171.5-16300111.6R464 A471 K472R464-E468 WeakPolarHBondContact O-CG 3.32Å; R464-E468 PolarHBondContact O-N 3.04Å; E468-A471 WeakPolarHBondContact O-CB 2.91Å; E468-A471 PolarHBondContact O-N 2.84Å; E468-K472 WeakPolarHBondContact O-CG 3.4Å; E468-K472 PolarHBondContact O-N 2.95Å
469S96.8Very high97.5Very high27 Ų2773.6 Ų73.619%0.18936%0.361CS..Hα-helixtrans-69.2-37.5177.665.30000113.1M429 V465 L466 E467 A471 K472 V473M429-S469 WeakPolarHBondContact CE-OG 3.38Å; V465-S469 WeakPolarHBondContact O-CB 3.27Å; V465-S469 PolarHBondContact O-N 3.45Å; V465-S469 PolarHBondContact O-OG 3.43Å; L466-S469 VanDerWaalsContact CA-OG 3.28Å; L466-S469 WeakPolarHBondContact CA-OG 3.46Å; L466-S469 PolarHBondContact O-N 2.89Å; L466-S469 PolarHBondContact O-OG 3.47Å; E467-S469 VanDerWaalsContact C-N 3.34Å; E467-S469 PolarHBondContact O-N 2.86Å; S469-A471 VanDerWaalsContact C-N 3.29Å; S469-A471 PolarHBondContact O-N 2.98Å; S469-K472 PolarHBondContact O-N 2.95Å; S469-V473 WeakPolarHBondContact O-CG2 3.47Å; S469-V473 PolarHBondContact O-N 3.12Å
470I97.8Very high97.4Very high10 Ų1075 Ų755%0.05137%0.368CS..Hα-helixtrans-62.8-38.8172.3-71164.9000110.3I426 M429 K430 L466 E467 V473 R474I426-I470 HydrophobicContact CG1-CG2 4.47Å; I426-I470 HydrophobicContact CG2-CG2 4.1Å; M429-I470 HydrophobicContact CB-CD1 3.85Å; M429-I470 HydrophobicContact CB-CG1 3.63Å; M429-I470 HydrophobicContact CG-CG1 4.35Å; M429-I470 HydrophobicContact SD-CG1 3.8Å; K430-I470 HydrophobicContact CG-CD1 4.25Å; L466-I470 VanDerWaalsContact O-CG1 3.27Å; L466-I470 WeakPolarHBondContact O-CG1 3.42Å; L466-I470 PolarHBondContact O-N 3.26Å; E467-I470 PolarHBondContact O-N 3.2Å; I470-V473 PolarHBondContact O-N 3.09Å; I470-R474 VanDerWaalsContact O-CG 3.27Å; I470-R474 WeakPolarHBondContact O-CG 3.43Å; I470-R474 PolarHBondContact O-N 3.18Å
471A98Very high97.3Very high56 Ų5669.8 Ų69.846%0.46335%0.345SS..Hα-helixtrans-62.8-42.5175.600000111.7E467 E468 S469 R474 E475E467-A471 PolarHBondContact O-N 3.49Å; E468-A471 WeakPolarHBondContact O-CB 2.91Å; E468-A471 PolarHBondContact O-N 2.84Å; S469-A471 VanDerWaalsContact C-N 3.29Å; S469-A471 PolarHBondContact O-N 2.98Å; A471-R474 PolarHBondContact O-N 2.85Å; A471-E475 PolarHBondContact O-N 3.44Å
472K98Very high97.2Very high129 Ų12972.6 Ų72.656%0.56135%0.352SS*.Hα-helixtrans-62.4-48.1174.8-69.4175.8-176.1-178.30112.5E468 S469 R474 E475 D476E468-K472 WeakPolarHBondContact O-CG 3.4Å; E468-K472 PolarHBondContact O-N 2.95Å; S469-K472 PolarHBondContact O-N 2.95Å; K472-R474 PolarHBondContact O-N 2.95Å; K472-E475 WeakPolarHBondContact O-CA 3.46Å; K472-E475 WeakPolarHBondContact O-CB 3.43Å; K472-E475 PolarHBondContact O-N 3.5Å; K472-D476 PolarHBondContact O-N 3.04Å
473V97.5Very high97Very high11 Ų1177.7 Ų77.77%0.06738%0.375CS..Hα-helixtrans-58.9-38.3177.1174.50000111.2H422 E425 I426 M429 S469 I470 D476 M477H422-V473 HydrophobicContact CB-CG1 4.3Å; E425-V473 HydrophobicContact CG-CG1 4.39Å; E425-V473 HydrophobicContact CG-CG2 4.41Å; I426-V473 HydrophobicContact CD1-CG1 4.21Å; I426-V473 HydrophobicContact CG1-CB 4.4Å; I426-V473 HydrophobicContact CG1-CG1 3.84Å; M429-V473 HydrophobicContact SD-CG2 4.29Å; S469-V473 WeakPolarHBondContact O-CG2 3.47Å; S469-V473 PolarHBondContact O-N 3.12Å; I470-V473 PolarHBondContact O-N 3.09Å; V473-D476 PolarHBondContact O-N 2.7Å; V473-M477 WeakPolarHBondContact O-CB 3.28Å; V473-M477 PolarHBondContact O-N 3.25Å
474R97.7Very high96.7Very high119 Ų11974.6 Ų74.645%0.44936%0.361SS..Hα-helixtrans-67-38.1174.3-73172.3176.7-171.5-1.6112.9I426 I470 A471 K472 N478I426-R474 HydrophobicContact CD1-CG 3.66Å; I470-R474 VanDerWaalsContact O-CG 3.27Å; I470-R474 WeakPolarHBondContact O-CG 3.43Å; I470-R474 PolarHBondContact O-N 3.18Å; A471-R474 PolarHBondContact O-N 2.85Å; K472-R474 PolarHBondContact O-N 2.95Å; R474-N478 WeakPolarHBondContact O-CB 3.45Å; R474-N478 PolarHBondContact O-N 3.34Å; R474-N478 PolarHBondContact O-ND2 3.31Å; R474-N478 VanDerWaalsContact O-ND2 3.11Å
475E97.8Very high96.4Very high135 Ų13569.2 Ų69.263%0.63134%0.344SS*.Hα-helixtrans-64.6-45.8174.9-173.6171.6-164.300110.9A471 K472 N478 A479A471-E475 PolarHBondContact O-N 3.44Å; K472-E475 WeakPolarHBondContact O-CA 3.46Å; K472-E475 WeakPolarHBondContact O-CB 3.43Å; K472-E475 PolarHBondContact O-N 3.5Å; E475-N478 PolarHBondContact O-N 3.27Å; E475-A479 WeakPolarHBondContact O-CB 3.38Å; E475-A479 PolarHBondContact O-N 2.98Å
476D97.5Very high96.2Very high86 Ų8667.5 Ų67.546%0.4634%0.339SS..Hα-helixtrans-62-44176.2-69.3-22000111.9K472 V473 N478 A479 Q480K472-D476 PolarHBondContact O-N 3.04Å; V473-D476 PolarHBondContact O-N 2.7Å; D476-N478 VanDerWaalsContact C-N 3.32Å; D476-N478 PolarHBondContact O-N 2.98Å; D476-A479 PolarHBondContact O-N 3.23Å; D476-Q480 WeakPolarHBondContact O-CG 3.39Å; D476-Q480 PolarHBondContact O-N 3.35Å
477M97.7Very high95.6Very high30 Ų3069.3 Ų69.315%0.14835%0.348CS..Hα-helixtrans-56.7-46.7173.4-177.2-172.66900111.1I418 H422 V473 Q480 L481I418-M477 HydrophobicContact CG2-CG 4.44Å; H422-M477 HydrophobicContact CB-CB 3.9Å; H422-M477 HydrophobicContact CB-CG 3.82Å; H422-M477 HydrophobicContact CB-SD 3.86Å; V473-M477 WeakPolarHBondContact O-CB 3.28Å; V473-M477 PolarHBondContact O-N 3.25Å; M477-Q480 PolarHBondContact O-N 2.98Å; M477-L481 HydrophobicContact CG-CD1 4.36Å; M477-L481 VanDerWaalsContact O-CG 3.31Å; M477-L481 WeakPolarHBondContact O-CG 3.33Å; M477-L481 PolarHBondContact O-N 3.02Å
478N97.2Very high94.6Very high71 Ų7167 Ų6738%0.3834%0.338SS..Hα-helixtrans-68.1-36.5179.1-73-30.2000112.3R474 E475 D476 L481 R482R474-N478 WeakPolarHBondContact O-CB 3.45Å; R474-N478 PolarHBondContact O-N 3.34Å; R474-N478 PolarHBondContact O-ND2 3.31Å; R474-N478 VanDerWaalsContact O-ND2 3.11Å; E475-N478 PolarHBondContact O-N 3.27Å; D476-N478 VanDerWaalsContact C-N 3.32Å; D476-N478 PolarHBondContact O-N 2.98Å; N478-L481 PolarHBondContact O-N 3.35Å; N478-R482 WeakPolarHBondContact O-CG 3.47Å; N478-R482 PolarHBondContact O-N 2.89Å
479A96.9Very high93.3Very high47 Ų4767.8 Ų67.839%0.38835%0.346SS..Hα-helixtrans-63.2-46175.800000111.3E475 D476 L481 R482 E483E475-A479 WeakPolarHBondContact O-CB 3.38Å; E475-A479 PolarHBondContact O-N 2.98Å; D476-A479 PolarHBondContact O-N 3.23Å; A479-L481 PolarHBondContact O-N 3.05Å; A479-R482 PolarHBondContact O-N 3.33Å; A479-E483 PolarHBondContact O-N 3.43Å
480Q95.4Very high91.8Very high72 Ų7272.2 Ų72.234%0.33637%0.372SS..Hα-helixtrans-64.7-37176.9-69176.118.100112.6I418 H422 D476 M477 E483 I484I418-Q480 HydrophobicContact CD1-CB 4.18Å; I418-Q480 HydrophobicContact CG2-CB 4.04Å; H422-Q480 PolarHBondContact NE2-NE2 3.07Å; H422-Q480 PolarHBondContact NE2-OE1 3.45Å; D476-Q480 WeakPolarHBondContact O-CG 3.39Å; D476-Q480 PolarHBondContact O-N 3.35Å; M477-Q480 PolarHBondContact O-N 2.98Å; Q480-E483 PolarHBondContact O-N 2.96Å; Q480-I484 PolarHBondContact O-N 3.23Å; Q480-I484 VanDerWaalsContact O-N 3.15Å
481L95.6Very high90Very high11 Ų1177.8 Ų77.86%0.05840%0.397CS..Hα-helixtrans-65-41174.5-73173.8000112M1 K415 V419 M477 N478 A479 E483 I484 D485M1-L481 HydrophobicContact CE-CD1 4.19Å; K415-L481 HydrophobicContact CB-CD2 3.89Å; K415-L481 HydrophobicContact CG-CD2 3.91Å; V419-L481 HydrophobicContact CG2-CD1 4.1Å; V419-L481 HydrophobicContact CG2-CD2 4.17Å; M477-L481 HydrophobicContact CG-CD1 4.36Å; M477-L481 VanDerWaalsContact O-CG 3.31Å; M477-L481 WeakPolarHBondContact O-CG 3.33Å; M477-L481 PolarHBondContact O-N 3.02Å; N478-L481 PolarHBondContact O-N 3.35Å; A479-L481 PolarHBondContact O-N 3.05Å; L481-E483 VanDerWaalsContact C-N 3.34Å; L481-I484 PolarHBondContact O-N 2.89Å; L481-D485 PolarHBondContact O-N 2.74Å
482R95Very high88Confident182 Ų18279.6 Ų79.669%0.68740%0.403SS*.Hα-helixtrans-65.2-37.2174.6-71.8173.9-1701613.3112.3N478 A479 D485 A486N478-R482 WeakPolarHBondContact O-CG 3.47Å; N478-R482 PolarHBondContact O-N 2.89Å; A479-R482 PolarHBondContact O-N 3.33Å; R482-D485 PolarHBondContact O-N 3.27Å; R482-A486 WeakPolarHBondContact O-CB 3.49Å; R482-A486 PolarHBondContact O-N 2.91Å
483E94Very high86Confident115 Ų11576 Ų7654%0.53740%0.403SS..Hα-helixtrans-61.5-44.8176.4-173.5-178175.800111A479 Q480 L481 D485 A486 M487A479-E483 PolarHBondContact O-N 3.43Å; Q480-E483 PolarHBondContact O-N 2.96Å; L481-E483 VanDerWaalsContact C-N 3.34Å; E483-D485 VanDerWaalsContact C-N 3.35Å; E483-D485 PolarHBondContact O-N 3.43Å; E483-A486 PolarHBondContact O-N 3.38Å; E483-M487 WeakPolarHBondContact O-CG 3.35Å; E483-M487 PolarHBondContact O-N 3.32Å
484I91.9Very high84Confident3 Ų383.5 Ų83.52%0.01544%0.437CS..Hα-helixtrans-60.7-46.8174.3-69172.9000110.8R411 R414 K415 I418 Q480 L481 A486 M487 D488R411-I484 HydrophobicContact CG-CG2 4.35Å; R414-I484 HydrophobicContact CB-CD1 4.1Å; R414-I484 HydrophobicContact CG-CD1 3.56Å; R414-I484 HydrophobicContact CG-CG1 4.35Å; K415-I484 HydrophobicContact CG-CD1 4.28Å; K415-I484 HydrophobicContact CG-CG2 3.93Å; I418-I484 HydrophobicContact CD1-CD1 3.17Å; I418-I484 HydrophobicContact CD1-CG1 4.3Å; Q480-I484 PolarHBondContact O-N 3.23Å; Q480-I484 VanDerWaalsContact O-N 3.15Å; L481-I484 PolarHBondContact O-N 2.89Å; I484-A486 PolarHBondContact O-N 2.95Å; I484-M487 PolarHBondContact O-N 3.49Å; I484-M487 VanDerWaalsContact O-N 3.16Å; I484-D488 VanDerWaalsContact CG2-OD2 3.31Å; I484-D488 WeakPolarHBondContact CG2-OD2 3.49Å; I484-D488 PolarHBondContact O-N 3.26Å
485D91.5Very high81.9Confident42 Ų4282.1 Ų82.123%0.22545%0.451CS..Hα-helixtrans-60.2-32.3177.9-74.6-29.1000113.4R411 K415 L481 R482 E483 N489R411-D485 IonicContact CZ-OD1 2.9Å; R411-D485 IonicContact NE-OD1 3.96Å; R411-D485 IonicContact NH2-OD1 2.68Å; R411-D485 PolarHBondContact NH2-OD1 2.87Å; K415-D485 WeakPolarHBondContact CE-OD1 3.32Å; K415-D485 IonicContact NZ-OD1 2.59Å; K415-D485 PolarHBondContact NZ-OD1 2.86Å; K415-D485 IonicContact NZ-OD2 3.65Å; L481-D485 PolarHBondContact O-N 2.74Å; R482-D485 PolarHBondContact O-N 3.27Å; E483-D485 VanDerWaalsContact C-N 3.35Å; E483-D485 PolarHBondContact O-N 3.43Å; D485-N489 PolarHBondContact O-ND2 2.9Å
486A90.9Very high79.8Confident55 Ų5578.6 Ų78.646%0.45544%0.435SS..Hα-helixtrans-75-41.617500000112.2R482 E483 I484 D488 N489R482-A486 WeakPolarHBondContact O-CB 3.49Å; R482-A486 PolarHBondContact O-N 2.91Å; E483-A486 PolarHBondContact O-N 3.38Å; I484-A486 PolarHBondContact O-N 2.95Å; A486-D488 VanDerWaalsContact C-N 3.34Å; A486-D488 PolarHBondContact O-N 3.27Å; A486-N489 PolarHBondContact O-N 3.44Å
487M84.7Confident77.7Confident50 Ų5076.7 Ų76.725%0.24643%0.431CS..Hα-helixtrans-62.6-40.6177.9-71.7-173.573.300112.1E483 I484 N489 V490 E491E483-M487 WeakPolarHBondContact O-CG 3.35Å; E483-M487 PolarHBondContact O-N 3.32Å; I484-M487 PolarHBondContact O-N 3.49Å; I484-M487 VanDerWaalsContact O-N 3.16Å; M487-N489 PolarHBondContact O-N 3.36Å; M487-V490 PolarHBondContact O-N 3.17Å; M487-E491 VanDerWaalsContact CE-OE1 3.26Å; M487-E491 WeakPolarHBondContact CE-OE1 3.28Å; M487-E491 PolarHBondContact O-N 3.36Å; M487-E491 VanDerWaalsContact O-N 3.13Å
488D77.5Confident75.6Confident39 Ų3983.4 Ų83.421%0.20946%0.462CS..THydrogen-bonded Turntrans-65.4-21.3-178-63.4-43.6000113R411 I484 A486 V492R411-D488 VanDerWaalsContact CD-CG 3.49Å; R411-D488 WeakPolarHBondContact CD-OD2 3.4Å; R411-D488 WeakPolarHBondContact CG-OD2 3.46Å; R411-D488 IonicContact CZ-OD2 3.95Å; R411-D488 IonicContact NE-OD2 3.56Å; R411-D488 PolarHBondContact NE-OD2 2.85Å; R411-D488 IonicContact NH2-OD2 3.63Å; I484-D488 VanDerWaalsContact CG2-OD2 3.31Å; I484-D488 WeakPolarHBondContact CG2-OD2 3.49Å; I484-D488 PolarHBondContact O-N 3.26Å; A486-D488 VanDerWaalsContact C-N 3.34Å; A486-D488 PolarHBondContact O-N 3.27Å; D488-V492 WeakPolarHBondContact O-CG2 3.36Å
489N69.7Low73.5Confident134 Ų13488.3 Ų88.372%0.71748%0.482SS*.THydrogen-bonded Turntrans-81.2-17.5175.1-64.8-33.9000112.8D485 A486 M487D485-N489 PolarHBondContact O-ND2 2.9Å; A486-N489 PolarHBondContact O-N 3.44Å; M487-N489 PolarHBondContact O-N 3.36Å
490V66.3Low71.5Confident120 Ų12090.7 Ų90.773%0.72749%0.485SS*.THydrogen-bonded Turntrans-102.1-30.7-174.5-177.70000111.8M487M487-V490 PolarHBondContact O-N 3.17Å
491E59.1Low69.6Low126 Ų12692.5 Ų92.559%0.58950%0.501SS*.THydrogen-bonded Turntrans-92.80.7-167.7-70-174.3173.200116.3M487 G493M487-E491 VanDerWaalsContact CE-OE1 3.26Å; M487-E491 WeakPolarHBondContact CE-OE1 3.28Å; M487-E491 PolarHBondContact O-N 3.36Å; M487-E491 VanDerWaalsContact O-N 3.13Å; E491-G493 PolarHBondContact O-N 3.25Å; E491-G493 VanDerWaalsContact O-N 3.17Å
492V57.3Low67.4Low94 Ų94100.7 Ų100.757%0.5754%0.539SS*.THydrogen-bonded Turntrans-71-12-178.4-174.90000112.9D488D488-V492 WeakPolarHBondContact O-CG2 3.36Å
493G55.1Low65.1Low55 Ų5595.6 Ų95.657%0.56753%0.531SS*.SBendtrans-76.7-52.1-16900000117.2E491E491-G493 PolarHBondContact O-N 3.25Å; E491-G493 VanDerWaalsContact O-N 3.17Å
494E55.1Low63.2Low167 Ų16795.5 Ų95.578%0.7854%0.54SS*.SBendtrans-140.4-30.1-148.9-62.6-175.4162.500116.7
495A54.5Low61.3Low91 Ų91104.1 Ų104.175%0.75258%0.58SS**THydrogen-bonded Turntrans-81.9-26.9-165.200000115.9
496E54Low59.4Low61 Ų61108.2 Ų108.229%0.28560%0.603SS.*THydrogen-bonded Turntrans-95.1-3.7-178.6-63.7-163.6152.900114.1L407 R410 E498L407-E496 WeakPolarHBondContact CD2-OE2 3.37Å; R410-E496 IonicContact CZ-OE1 3.8Å; R410-E496 IonicContact NH1-OE1 2.68Å; R410-E496 PolarHBondContact NH1-OE1 3.23Å; E496-E498 PolarHBondContact O-N 3.48Å
497A52.8Low57.5Low45 Ų45110.1 Ų110.137%0.37260%0.602SS.*THydrogen-bonded Turntrans-70.5-14.9178.600000112.8V501A497-V501 WeakPolarHBondContact O-CG2 3.44Å
498E53.7Low56Low171 Ų171115.6 Ų115.680%0.79963%0.632SS**THydrogen-bonded Turntrans-93.6-20.2-176.2-61.3-164.716500114.1E496E496-E498 PolarHBondContact O-N 3.48Å
499E53.6Low54.9Low175 Ų175124.1 Ų124.182%0.81866%0.663SS**THydrogen-bonded Turntrans-88.4-27.7-173.8-156169.8-167.900113.1
500E54.2Low54.2Low96 Ų96125 Ų12545%0.44966%0.66SS.*SBendtrans-96-5-176.8-127.9175-166.800114.4R406 H502R406-E500 IonicContact CZ-OE1 3.68Å; R406-E500 IonicContact NH1-OE1 2.61Å; R406-E500 PolarHBondContact NH1-OE1 2.98Å; E500-H502 PolarHBondContact O-N 3.48Å
501V54.7Low53.7Low111 Ų111123.5 Ų123.567%0.67365%0.647SS**  trans-78.1-3.4179.1179.10000112.2A497 S503A497-V501 WeakPolarHBondContact O-CG2 3.44Å; V501-S503 PolarHBondContact O-N 3.12Å
502H50.3Low53.7Low183 Ų183123.7 Ų123.785%0.84765%0.652SS**SBendtrans-84.289.4170.6-106.947.5000112.3E500E500-H502 PolarHBondContact O-N 3.48Å
503S46.1Very low53.7Low74 Ų74125.8 Ų125.852%0.51766%0.655SS.*  trans89.781160.5-156.90000118.7V501 E505V501-S503 PolarHBondContact O-N 3.12Å; S503-E505 PolarHBondContact O-N 2.78Å; S503-E505 VanDerWaalsContact O-N 3.14Å
504P53.4Low53.7Low113 Ų113130.5 Ų130.573%0.73466%0.663SS**THydrogen-bonded Turntrans-72.39.7165.830.6-35.2000114.6
505E53.4Low53.7Low184 Ų184125.9 Ų125.986%0.8665%0.653SS**THydrogen-bonded Turntrans-100.81.6-173.7-69.2-168.6160.400114.7S503S503-E505 PolarHBondContact O-N 2.78Å; S503-E505 VanDerWaalsContact O-N 3.14Å
506N50.2Low53.7Low129 Ų129126.1 Ų126.169%0.6964%0.638SS**SBendtrans-130.112.1-175.3-14119000115.7N508N506-N508 VanDerWaalsContact C-N 3.25Å; N506-N508 PolarHBondContact O-N 3.32Å; N506-N508 VanDerWaalsContact O-N 3.16Å
507E52.5Low53.7Low95 Ų95128 Ų12844%0.44465%0.65SS.*THydrogen-bonded Turntrans-764.4-173.2-74.2-164.4138.300116.3Y509 M511E507-Y509 VanDerWaalsContact C-N 3.33Å; E507-Y509 PolarHBondContact O-N 3.39Å; E507-M511 HydrophobicContact CG-CE 4.41Å; E507-M511 WeakPolarHBondContact OE1-CE 3.41Å
508N53.7Low53.7Low164 Ų164130.1 Ų130.188%0.87766%0.659SS**THydrogen-bonded Turntrans-868.1177.9-94.8-3.7000114.8N506N506-N508 VanDerWaalsContact C-N 3.25Å; N506-N508 PolarHBondContact O-N 3.32Å; N506-N508 VanDerWaalsContact O-N 3.16Å
509Y53.7Low53.1Low219 Ų219130.6 Ų130.686%0.85966%0.659SS**SBendtrans-145.58.9-175.2-122.1-94000117.5E507E507-Y509 VanDerWaalsContact C-N 3.33Å; E507-Y509 PolarHBondContact O-N 3.39Å
510F53.7Low53.2Low151 Ų151129.1 Ų129.166%0.66265%0.652SS**  trans-132.85.8-168.7-137.3-98.5000117.2D512F510-D512 PolarHBondContact O-N 2.92Å
511M57.2Low53.1Low89 Ų89132.1 Ų132.144%0.43867%0.666SS.*THydrogen-bonded Turntrans-82.74-171.2-75.5-75.9-178.800116.1E507E507-M511 HydrophobicContact CG-CE 4.41Å; E507-M511 WeakPolarHBondContact OE1-CE 3.41Å
512D57.9Low52.9Low131 Ų131131.3 Ų131.370%0.70166%0.656SS**THydrogen-bonded Turntrans-106.2-17.5-171.8-77.5-30.3000116.3F510F510-D512 PolarHBondContact O-N 2.92Å
513E57Low52.6Low137 Ų137130.8 Ų130.864%0.6465%0.654SS**SBendtrans-90.5-37-174-75.4-168.2154.800114.6A515 Q516E513-A515 PolarHBondContact O-N 3.2Å; E513-Q516 PolarHBondContact O-N 2.76Å
514E57Low52.6Low155 Ų155130.9 Ų130.972%0.72465%0.652SS**Hα-helixtrans-76.2-23.9-176.9-79.8-175.9158.900114Q516E514-Q516 PolarHBondContact O-N 2.9Å
515A54.5Low52.1Low69 Ų69128.8 Ų128.857%0.5764%0.64SS**Hα-helixtrans-75.3-12175.500000113.4E513E513-A515 PolarHBondContact O-N 3.2Å
516Q54.5Low52Low96 Ų96127.3 Ų127.345%0.44963%0.633SS.*Hα-helixtrans-90.7-33.1177.1-72.5174.90.500112.1R59 E513 E514 V518R59-Q516 VanDerWaalsContact NH2-CG 3.3Å; E513-Q516 PolarHBondContact O-N 2.76Å; E514-Q516 PolarHBondContact O-N 2.9Å; Q516-V518 PolarHBondContact O-N 3.43Å
517N52.6Low52Low100 Ų100128.7 Ų128.754%0.53564%0.635SS.*Hα-helixtrans-76.7-21-176.4-88.5-24000115.5
518V52.8Low51.8Low91 Ų91130.8 Ų130.855%0.55264%0.643SS**Hα-helixtrans-79.7-22.9-178.6-179.10000112.5Q516Q516-V518 PolarHBondContact O-N 3.43Å
519F42.9Very low51.7Low181 Ų181130.3 Ų130.379%0.79463%0.633SS**Hα-helixtrans-92.9-24.8-177.4-150.1-97000113.3
520E54.5Low51.5Low144 Ų144125.3 Ų125.367%0.67363%0.626SS**Hα-helixtrans-82.3-16.1177.5-80.3-179.1166.500113.9I522E520-I522 VanDerWaalsContact C-N 3.3Å; E520-I522 PolarHBondContact O-N 2.98Å
521Q52.2Low51.2Low158 Ų158125.1 Ų125.174%0.73863%0.627SS**THydrogen-bonded Turntrans-85.22.3177.8-71.2-1746.500114.6
522I49.9Very low50.7Low94 Ų94127.1 Ų127.148%0.48264%0.638SS.*  trans-110.150.3168.7-44.2176.7000108.6E520 V524E520-I522 VanDerWaalsContact C-N 3.3Å; E520-I522 PolarHBondContact O-N 2.98Å; I522-V524 HydrophobicContact CG2-CG2 4.08Å; I522-V524 PolarHBondContact O-N 3.4Å
523E45Very low50Low172 Ų172126.3 Ų126.380%0.80464%0.638SS**  trans-65.689.7153-81.5-176.5166.800107.1S525E523-S525 VanDerWaalsContact C-N 3.34Å; E523-S525 PolarHBondContact O-N 3.06Å
524V46.9Very low49.6Very low77 Ų77125.6 Ų125.647%0.46764%0.642SS.*  trans-53.8105.5159.2178.50000105.5I522 E526I522-V524 HydrophobicContact CG2-CG2 4.08Å; I522-V524 PolarHBondContact O-N 3.4Å; V524-E526 PolarHBondContact O-N 3.24Å
525S42.5Very low49.3Very low68 Ų68127.7 Ų127.748%0.47665%0.652SS.*  trans-39.6115.1174.8-62.70000109.2E523 Q527 F528E523-S525 VanDerWaalsContact C-N 3.34Å; E523-S525 PolarHBondContact O-N 3.06Å; S525-Q527 PolarHBondContact O-N 3.4Å; S525-F528 PolarHBondContact O-N 3.4Å
526E51.6Low48.9Very low153 Ų153127 Ų12772%0.71565%0.652SS**G310 helixtrans-55.1-14.5176.8-70.2-174.5142.400112.2V524 F528 K529V524-E526 PolarHBondContact O-N 3.24Å; E526-F528 PolarHBondContact O-N 3.45Å; E526-F528 VanDerWaalsContact O-N 3.16Å; E526-K529 PolarHBondContact O-N 2.94Å; E526-K529 VanDerWaalsContact O-N 3.11Å
527Q49.1Very low48.5Very low158 Ų158130.5 Ų130.574%0.73867%0.674SS**G310 helixtrans-58.4-17.5171.4-66.4-177.8-18.800115S525S525-Q527 PolarHBondContact O-N 3.4Å
528F48.1Very low48.1Very low139 Ų139130.6 Ų130.661%0.6169%0.688SS**G310 helixtrans-104.1-5174.4-75.9-78.5000114.4S525 E526 T530S525-F528 PolarHBondContact O-N 3.4Å; E526-F528 PolarHBondContact O-N 3.45Å; E526-F528 VanDerWaalsContact O-N 3.16Å; F528-T530 VanDerWaalsContact C-N 3.33Å
529K52Low48Very low154 Ų154134.8 Ų134.867%0.6770%0.702SS**THydrogen-bonded Turntrans-77.7-16177-88.6174.6177.5169.80113.5E526E526-K529 PolarHBondContact O-N 2.94Å; E526-K529 VanDerWaalsContact O-N 3.11Å
530T49.8Very low48.6Very low114 Ų114134 Ų13470%0.69971%0.705SS**THydrogen-bonded Turntrans-96.9-3.7179.453.60000114.3F528F528-T530 VanDerWaalsContact C-N 3.33Å
531E47.9Very low48.6Very low147 Ų147135.1 Ų135.169%0.68772%0.715SS**SBendtrans-116.73.6-173.2-120.2178.2-170.800114.4
532I47Very low48.4Very low132 Ų132135.1 Ų135.168%0.67772%0.72SS**  trans-109.150.6167.6-47.1172.9000108.4V534I532-V534 HydrophobicContact CG2-CG2 4.28Å; I532-V534 PolarHBondContact O-N 2.88Å
533T42Very low48.7Very low114 Ų114140 Ų14070%0.69974%0.741SS**  trans-83.596.515343.20000106.1E535T533-E535 PolarHBondContact O-N 3.24Å
534V48Very low48.6Very low121 Ų121135.7 Ų135.773%0.73374%0.742SS**  trans-59.5105.6167.1175.30000106.5I532 G536I532-V534 HydrophobicContact CG2-CG2 4.28Å; I532-V534 PolarHBondContact O-N 2.88Å; V534-G536 PolarHBondContact O-N 2.99Å
535E50.8Low48.5Very low199 Ų199137 Ų13793%0.9376%0.761SS**  trans-62.3103.5164.6-70.5-171.3161.200107.7T533T533-E535 PolarHBondContact O-N 3.24Å
536G46Very low48.7Very low54 Ų54140.8 Ų140.856%0.55778%0.776SS**SBendtrans173.7103.3177.500000109.8V534V534-G536 PolarHBondContact O-N 2.99Å
537D46.6Very low48.5Very low171 Ų171143.4 Ų143.491%0.91478%0.781SS**  trans82.462172-50.7-18.1000116.4
538A43.7Very low48.6Very low101 Ų101145.9 Ų145.984%0.83579%0.789SS**  trans-92.179163.200000111
539E52.4Low48.5Very low180 Ų180146.9 Ų146.984%0.84180%0.801SS**  trans-149.174160.4-75.3-165.2177.700110.1
540L55.3Low48.4Very low165 Ų165147.2 Ų147.286%0.86481%0.81SS**SBendtrans172.4140.6146.7-122.291.4000109.5
541L53.2Low47.9Very low166 Ų166146.8 Ų146.887%0.86981%0.807SS**  trans91.870.3171.6-47.4-179.2000116.2
542D48Very low47.6Very low159 Ų159148 Ų14885%0.8582%0.817SS**  trans-90.7106.3151.3-176.322.4000107.8
543E56.8Low47.4Very low197 Ų197147.7 Ų147.792%0.92182%0.822SS**  trans-177.9112.2158.5-104.9173.5-148.800109.5
544G43.8Very low47.4Very low81 Ų81148 Ų14884%0.83583%0.829SS**  trans127.938.7157.400000118.7
545A44.3Very low47.2Very low104 Ų104146.5 Ų146.586%0.8683%0.828SS**  trans-96.190.4161.900000110.5
546N46.4Very low46.9Very low148 Ų148144.7 Ų144.779%0.79182%0.824SS**  trans-168.4151.2151.6-133.4-24000111.2
547Y48.5Very low46.7Very low208 Ų208148.3 Ų148.382%0.81684%0.836SS**  trans84.490.6-178.6-66.1-89000116.9
548K50.1Low46.8Very low210 Ų210149.7 Ų149.791%0.91384%0.837SS**  -15773.4129.1-70.1-159.6-177.8157.30110.2
549D46Very low47.1Very low159 Ų159154 Ų15485%0.8584%0.84SS**  trans-136.283.9156.7-94.3-20000106.5
550N49.4Very low46.8Very low161 Ų161150.6 Ų150.686%0.86184%0.835SS**  trans-175.5139152-110.3-19.6000112.8
551V40.7Very low46.5Very low105 Ų105150.6 Ų150.664%0.63684%0.835SS**  trans84.468.8154.6-168.20000115.2
552L41.3Very low46Very low174 Ų174149.8 Ų149.891%0.91183%0.828SS**  -67.8111.3126-144102.2000107
553T42.6Very low45.9Very low125 Ų125148.9 Ų148.977%0.76783%0.829SS**  trans155.987.9155.738.60000111.8
554S42.3Very low45.6Very low121 Ų121147.9 Ų147.985%0.84682%0.824SS**  trans-165.978.9152.725.50000108.7
555A42.4Very low45.9Very low88 Ų88149.7 Ų149.773%0.72782%0.819SS**  trans-84.5153.1154.600000108.5
556L45.3Very low46.1Very low161 Ų161152 Ų15284%0.84381%0.812SS**  trans101.5139.3161.6-58.4164.7000117.2
557T42.4Very low46.3Very low130 Ų130151.7 Ų151.780%0.79881%0.81SS**  trans74.689.5164.869.10000118
558E49Very low47.1Very low201 Ų201151.5 Ų151.594%0.93981%0.809SS**  trans-150.285.8131-68.1-162.416500108.5
559E49.1Very low47.3Very low191 Ų191150.1 Ų150.189%0.89381%0.806SS**  trans-76.3157.5150.6-77.4-176.7152.500108.1
560S45.5Very low47.4Very low108 Ų108147 Ų14776%0.75580%0.797SS**  trans91.476.7162.2-166.80000117.9
561I48.9Very low47.5Very low166 Ų166146.9 Ų146.985%0.85180%0.796SS**  trans-13792.8143.1-56.1-177.9000109.8
562M44.3Very low48Very low149 Ų149145.7 Ų145.773%0.73480%0.798SS**  trans42.8110.5131.9-59.9-109.9-74.600119.3E564M562-E564 PolarHBondContact O-N 3.06Å
563T44.1Very low48.8Very low139 Ų139148.2 Ų148.285%0.85380%0.797SS**  trans-61.6116150.846.20000110.5
564E51.4Low49.4Very low176 Ų176147.5 Ų147.582%0.82280%0.796SS**  trans-116.4103.4161-109176.617800108.6M562M562-E564 PolarHBondContact O-N 3.06Å
565T49.4Very low49.6Very low120 Ų120149 Ų14974%0.73680%0.795SS**  trans-74.4110.9164.642.80000108.1
566H49.1Very low50.1Low151 Ų151150.4 Ų150.470%0.69980%0.799SS**  trans-94.892.9167.5-157.1-45.3000108.6Y568H566-Y568 AromaticContact CE1-CD2 3.21Å; H566-Y568 WeakPolarHBondContact CE1-CD2 3.48Å; H566-Y568 AromaticContact CE1-CE2 3.17Å; H566-Y568 WeakPolarHBondContact CE1-CE2 3.3Å; H566-Y568 AromaticContact ND1-CD2 3.34Å; H566-Y568 VanDerWaalsContact ND1-CD2 3.34Å; H566-Y568 WeakPolarHBondContact ND1-CD2 3.27Å; H566-Y568 AromaticContact ND1-CE2 3.78Å; H566-Y568 AromaticContact NE2-CE2 3.73Å
567D50.4Low50.5Low142 Ų142151.1 Ų151.176%0.75980%0.799SS**  trans-66.6127.2159-67.8-44.7000107.7
568Y64.8Low51.2Low204 Ų204154.3 Ų154.380%0.881%0.807SS**  trans-108.2102.7167.7-121.5-83.8000107.3H566H566-Y568 AromaticContact CE1-CD2 3.21Å; H566-Y568 WeakPolarHBondContact CE1-CD2 3.48Å; H566-Y568 AromaticContact CE1-CE2 3.17Å; H566-Y568 WeakPolarHBondContact CE1-CE2 3.3Å; H566-Y568 AromaticContact ND1-CD2 3.34Å; H566-Y568 VanDerWaalsContact ND1-CD2 3.34Å; H566-Y568 WeakPolarHBondContact ND1-CD2 3.27Å; H566-Y568 AromaticContact ND1-CE2 3.78Å; H566-Y568 AromaticContact NE2-CE2 3.73Å
569E55.5Low51.1Low182 Ų182152.9 Ų152.985%0.8580%0.8SS**  trans-71.7149171.4-12217516400110.7
570S46.7Very low50.9Low94 Ų94148.9 Ų148.966%0.65779%0.789SS**  trans-53.9150.417848.70000116.4
571D53.2Low50.9Low158 Ų158149.9 Ų149.985%0.84579%0.79SS**  trans-160.5108.6136.6-83.9-32.5000108
572A50.6Low50.6Low80 Ų80149.1 Ų149.166%0.66179%0.786SS**  64.4114.499.700000114.5
573Y58.2Low50.7Low227 Ų227150.9 Ų150.989%0.8979%0.793SS**  175.5128.5116.8-107.6-88.8000113.6
574S55.8Low50.6Low109 Ų109152 Ų15276%0.76279%0.794SS**  trans78.9102.7143.6-120.90000122.8
575D45.5Very low50.2Low153 Ų153154.8 Ų154.882%0.81880%0.797SS**  trans-43.4141.3136.6-84.5-43000113
576S53.2Low49.7Very low117 Ų117154.9 Ų154.982%0.81880%0.797SS**  trans-157.4119.2131.768.20000110.6
577E53.7Low49.5Very low177 Ų177154.2 Ų154.283%0.82780%0.798SS**  trans-54.2152.3170.6-57.2164.5153.400112.4
578M56.8Low49.4Very low197 Ų197153.8 Ų153.897%0.9779%0.794SS**  -169.1144.9118.9-98.6-153-65.900113.5
579E47.7Very low48.7Very low170 Ų170152 Ų15279%0.79479%0.793SS**  trans-91.1158.1-164.6-112.5174140.400114.2
580T44.7Very low48.3Very low108 Ų108147.8 Ų147.866%0.66378%0.784SS**  trans63.8122.9140.9670000120.1
581T44.5Very low48.6Very low128 Ų128151.4 Ų151.479%0.78580%0.795SS**  167.4117.1103.430.10000112.8
582I44Very low48.2Very low150 Ų150154.7 Ų154.777%0.76980%0.796SS**  trans14.4122.9134.3-43.1174.7000116.7
583Q44.7Very low47.9Very low186 Ų186156.7 Ų156.787%0.86980%0.8SS**  174.3132.2115-91.5179.419.900113
584N42.6Very low47.9Very low162 Ų162155.2 Ų155.287%0.86680%0.802SS**  trans-57.7136.4172.6-62-48000112.5
585R42.8Very low47.2Very low235 Ų235158.7 Ų158.789%0.88781%0.808SS**  trans-156.7109.7142.5-126.5173-176.9169-0111.6
586T38.7Very low47.5Very low123 Ų123156.2 Ų156.276%0.75581%0.808SS**  trans-50.2142.9153.845.40000111.5
587I45.7Very low47Very low137 Ų137156.3 Ų156.370%0.70381%0.805SS**  trans169.3109.4138-88.8156.4000107.8
588I48.1Very low46.4Very low132 Ų132156 Ų15668%0.67780%0.801SS**  73.2115.3119.4-54.7179.6000112.2
589E49.1Very low46.3Very low167 Ų167155.5 Ų155.578%0.7880%0.796SS**  -177.3116.577.1-121.7135.4-143.400106.1
590S48.2Very low46.3Very low94 Ų94153.7 Ų153.766%0.65779%0.792SS**  52.8108.1106.457.10000116.4
591D51.8Low46.7Very low169 Ų169156.1 Ų156.190%0.90480%0.801SS**  -165.1125.7110.3-89.3-16000111.8
592R46.1Very low46.9Very low227 Ų227158 Ų15886%0.85780%0.801SS**  trans-139.7132.4-169.1-140.7-175.9-172.2174.51.7105.2
593T45Very low47.2Very low123 Ų123157 Ų15776%0.75580%0.795SS**  trans55.2113.2145.949.50000119.4
594E57.3Low47.6Very low196 Ų196156.3 Ų156.392%0.91679%0.792SS**  trans-129.2104.2144.6-70.5-168.3174.200110.1
595M41.6Very low47.7Very low181 Ų181156.6 Ų156.689%0.89279%0.79SS**  trans-91.9125.7150.2-77.2-97.5-76.900105.6
596A50.2Low48.1Very low101 Ų101152 Ų15284%0.83579%0.788SS**  trans-118.7111.7170.700000109.7
597T44.2Very low48.4Very low120 Ų120148.9 Ų148.974%0.73678%0.78SS**  trans-84.5146.7166.944.30000110.7
598F40.7Very low48.6Very low171 Ų171149.8 Ų149.875%0.7579%0.787SS**  trans52118.8145.8-100.7-95.1000119.6
599E55.1Low48.6Very low185 Ų185148.1 Ų148.186%0.86479%0.793SS**  trans-153.7115.4136.3-112.2169.2-156.500110.5
600N46.8Very low48.7Very low132 Ų132148.7 Ų148.771%0.70680%0.795SS**  trans-69.9135.6164.4-67.5-43.3000108.1
601N54.2Low49Very low160 Ų160151 Ų15186%0.85680%0.797SS**  trans-134.8125.1155-92.2-32.8000110.4
602E47Very low49.4Very low168 Ų168149.9 Ų149.979%0.78579%0.791SS**  trans-95.2161.8-172.1-145.1-171.3152.900109
603I51.8Low49.4Very low127 Ų127150.6 Ų150.665%0.65179%0.794SS**  trans96.8135.2147.1-62.1156.3000119.9
604E51.8Low49.8Very low173 Ų173153 Ų15381%0.80880%0.797SS**  trans101.293.6156.1-90.1160.7-139.100117.4
605M46.1Very low49.9Very low168 Ų168151.7 Ų151.783%0.82879%0.788SS**  81.2140.567.7-76.5-82.5-72.700114.9
606V50Low50.8Low137 Ų137151.6 Ų151.683%0.8378%0.783SS**  trans84.7128.1166.9-161.50000115.1
607G44.7Very low51Low58 Ų58155 Ų15560%0.59879%0.787SS**  cis170.8165.55.700000110.2
608D49.8Very low51.5Low156 Ų156157.8 Ų157.883%0.83482%0.822SS**  trans75.7105.2155.4-45.8-25.1000118.1
609A48.3Very low52Low97 Ų97157.2 Ų157.280%0.80283%0.826SS**  74.6132.763.300000114.6
610E52.6Low51.9Low180 Ų180155.7 Ų155.784%0.84182%0.824SS**  trans99.8134.2152.9-107-176.2167.100121.7
611M54Low52.2Low141 Ų141157 Ų15770%0.69583%0.83SS**  trans88.798.5146.2-61.3-94.4-70.700119.2
612D59.9Low52Low146 Ų146156.8 Ų156.878%0.78183%0.829SS**  167.697.998.6-85.7-26.9000113.1
613R45.7Very low52.4Low242 Ų242156.1 Ų156.191%0.91383%0.832SS**  trans-100.1119.4149.1-84.4-175.8176.6123.2-1.1106.6
614E54.2Low52.4Low174 Ų174158.1 Ų158.181%0.81384%0.844SS**  trans173.9120.8145.9-107.5-176.5-169.700111.7
615K60.2Low52.4Low168 Ų168157 Ų15773%0.7385%0.846SS**  172.5119114.8-93.5158.3-172166.20113.7
616K59.6Low52.9Low180 Ų180156.2 Ų156.278%0.78385%0.848SS**  76.7104.6128.1-68.2175.9177.6-176.40120
617N53.5Low53.2Low172 Ų172157.8 Ų157.892%0.9285%0.849SS**  14.1112.1123.4-66.1-7.4000117.2
618A55.7Low53.9Low179 Ų179166.8 Ų166.8100%1.47987%0.872SS**  trans-146.60131.800000107.8

Retrieved 618 of 618 residues in 393 ms (Link to these results)