A0A5K4F2E8_SCHMA Loading...

Histone-lysine N-methyltransferase SMYD3

AlphaFold DB , UniProt , Accession A0A5K4F2E8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 484 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
1M73.6Confident82.6Confident105 Ų105108.6 Ų108.652%0.51752%0.524SS..  01320-173.2175.3-92.900108.5Y3 Y23 L29M1-Y3 HydrophobicContact CG-CE2 4.24Å; M1-Y3 HydrophobicContact SD-CE1 4.39Å; M1-Y3 HydrophobicContact SD-CE2 4.41Å; M1-Y3 PolarHBondContact SD-OH 3.17Å; M1-Y3 VanDerWaalsContact SD-OH 3.36Å; M1-Y23 HydrophobicContact CE-CD2 4.25Å; M1-Y23 HydrophobicContact CE-CE2 3.57Å; M1-L29 HydrophobicContact CE-CD1 3.48Å; M1-L29 VanDerWaalsContact CE-CD1 3.48Å
2R78.7Confident82.6Confident246 Ų246102.2 Ų102.293%0.92849%0.493SS*.  trans-103.3147.2176.7-68.2-175.4-179.7179.90.8110.1
3Y80.9Confident82.7Confident58 Ų58104.3 Ų104.323%0.22749%0.493CS..  trans-120.7152.4175.8-63.5-89.9000109.1M1 S5 Q9 M12 H16M1-Y3 HydrophobicContact CG-CE2 4.24Å; M1-Y3 HydrophobicContact SD-CE1 4.39Å; M1-Y3 HydrophobicContact SD-CE2 4.41Å; M1-Y3 PolarHBondContact SD-OH 3.17Å; M1-Y3 VanDerWaalsContact SD-OH 3.36Å; Y3-S5 PolarHBondContact O-N 3.32Å; Y3-Q9 HydrophobicContact CD1-CB 4.45Å; Y3-Q9 HydrophobicContact CD2-CB 3.64Å; Y3-Q9 HydrophobicContact CD2-CG 3.69Å; Y3-Q9 HydrophobicContact CE2-CB 4.2Å; Y3-Q9 HydrophobicContact CE2-CG 3.85Å; Y3-Q9 HydrophobicContact CG-CB 3.79Å; Y3-Q9 HydrophobicContact CG-CG 4.35Å; Y3-M12 HydrophobicContact CD1-CB 4.36Å; Y3-M12 HydrophobicContact CD1-CG 4.42Å; Y3-M12 HydrophobicContact CE1-CB 3.53Å; Y3-M12 HydrophobicContact CE1-CG 3.88Å; Y3-H16 WeakPolarHBondContact OH-CB 3.32Å
4C75.9Confident82.5Confident117 Ų117108.5 Ų108.579%0.79150%0.502SS*.SBendtrans-67.8-22.5179.258.90000113.5C8C4-C8 PolarHBondContact SG-SG 3.13Å
5S81.5Confident82.2Confident48 Ų48101.9 Ų101.934%0.33647%0.472SS..SBendtrans-155.7162.7176.964.70000111.8Y3 D7 C8 Q9Y3-S5 PolarHBondContact O-N 3.32Å; S5-D7 VanDerWaalsContact C-N 3.26Å; S5-D7 PolarHBondContact O-N 2.85Å; S5-C8 PolarHBondContact O-N 2.99Å; S5-C8 PolarHBondContact OG-N 3.5Å; S5-C8 PolarHBondContact OG-SG 3.26Å; S5-Q9 PolarHBondContact O-N 3.41Å
6R87.9Confident82.2Confident191 Ų19197 Ų9772%0.72145%0.449SS*.Hα-helixtrans-58.9-38.3173.3-173.1177.2-179.9-178.2-0.5111.6C8 Q9 L10R6-C8 VanDerWaalsContact C-N 3.34Å; R6-C8 PolarHBondContact O-N 2.86Å; R6-Q9 WeakPolarHBondContact O-CB 3.06Å; R6-Q9 PolarHBondContact O-N 3.39Å; R6-L10 HydrophobicContact CG-CD1 4.24Å; R6-L10 HydrophobicContact CG-CG 4.45Å; R6-L10 WeakPolarHBondContact O-CG 3.2Å; R6-L10 PolarHBondContact O-N 3.24Å
7D85.5Confident82.2Confident110 Ų11099.5 Ų99.559%0.58846%0.459SS*.Hα-helixtrans-62.8-41.5177.5-61-23.8000111.8S5 Q9 L10 L11S5-D7 VanDerWaalsContact C-N 3.26Å; S5-D7 PolarHBondContact O-N 2.85Å; D7-Q9 VanDerWaalsContact C-N 3.35Å; D7-L10 PolarHBondContact O-N 3.03Å; D7-L11 WeakPolarHBondContact O-CB 2.99Å; D7-L11 WeakPolarHBondContact O-CD1 3.27Å; D7-L11 VanDerWaalsContact O-CG 3.31Å; D7-L11 WeakPolarHBondContact O-CG 3.19Å; D7-L11 PolarHBondContact O-N 3.02Å
8C85.4Confident81.7Confident18 Ų18101.6 Ų101.612%0.12246%0.462CS..Hα-helixtrans-66.3-37.6175.3-73.80000112.1C4 S5 R6 M12C4-C8 PolarHBondContact SG-SG 3.13Å; S5-C8 PolarHBondContact O-N 2.99Å; S5-C8 PolarHBondContact OG-N 3.5Å; S5-C8 PolarHBondContact OG-SG 3.26Å; R6-C8 VanDerWaalsContact C-N 3.34Å; R6-C8 PolarHBondContact O-N 2.86Å; C8-M12 VanDerWaalsContact O-CB 3.29Å; C8-M12 WeakPolarHBondContact O-CB 3.44Å; C8-M12 VanDerWaalsContact O-CG 3.26Å; C8-M12 WeakPolarHBondContact O-CG 3.05Å; C8-M12 PolarHBondContact O-N 2.93Å
9Q88Confident81.5Confident89 Ų8996.7 Ų96.742%0.41644%0.44SS..Hα-helixtrans-62.6-47.9174-178.4-177.310.900111.7Y3 S5 R6 D7 M12 W13Y3-Q9 HydrophobicContact CD1-CB 4.45Å; Y3-Q9 HydrophobicContact CD2-CB 3.64Å; Y3-Q9 HydrophobicContact CD2-CG 3.69Å; Y3-Q9 HydrophobicContact CE2-CB 4.2Å; Y3-Q9 HydrophobicContact CE2-CG 3.85Å; Y3-Q9 HydrophobicContact CG-CB 3.79Å; Y3-Q9 HydrophobicContact CG-CG 4.35Å; S5-Q9 PolarHBondContact O-N 3.41Å; R6-Q9 WeakPolarHBondContact O-CB 3.06Å; R6-Q9 PolarHBondContact O-N 3.39Å; D7-Q9 VanDerWaalsContact C-N 3.35Å; Q9-M12 CarbonylContact O-C 3.55Å; Q9-M12 PolarHBondContact O-N 3.32Å; Q9-W13 PolarHBondContact O-N 3.47Å
10L88.6Confident81.6Confident108 Ų10893.9 Ų93.957%0.56543%0.431SS*.Hα-helixtrans-62.7-45.2-179.5-72.3173.7000111.5R6 D7 M12 W13R6-L10 HydrophobicContact CG-CD1 4.24Å; R6-L10 HydrophobicContact CG-CG 4.45Å; R6-L10 WeakPolarHBondContact O-CG 3.2Å; R6-L10 PolarHBondContact O-N 3.24Å; D7-L10 PolarHBondContact O-N 3.03Å; L10-M12 VanDerWaalsContact C-N 3.3Å; L10-M12 PolarHBondContact O-N 3.22Å; L10-W13 VanDerWaalsContact O-CB 3.23Å; L10-W13 WeakPolarHBondContact O-CB 3.46Å; L10-W13 PolarHBondContact O-N 3.3Å; L10-W13 VanDerWaalsContact O-N 3.16Å
11L82.5Confident81.5Confident105 Ų10597.6 Ų97.655%0.5545%0.446SS..Hα-helixtrans-64.5-35.7178.1-74.2163.4000112.4D7 W13 R140D7-L11 WeakPolarHBondContact O-CB 2.99Å; D7-L11 WeakPolarHBondContact O-CD1 3.27Å; D7-L11 VanDerWaalsContact O-CG 3.31Å; D7-L11 WeakPolarHBondContact O-CG 3.19Å; D7-L11 PolarHBondContact O-N 3.02Å; L11-W13 VanDerWaalsContact C-N 3.32Å; L11-R140 VanDerWaalsContact CD1-NH1 3.25Å
12M82.6Confident81.7Confident31 Ų3194.4 Ų94.415%0.15343%0.43CS..Hα-helixtrans-82.6-8.3177.3-70.5-58-5100113.6Y3 C8 Q9 L10 R14 V15 H16Y3-M12 HydrophobicContact CD1-CB 4.36Å; Y3-M12 HydrophobicContact CD1-CG 4.42Å; Y3-M12 HydrophobicContact CE1-CB 3.53Å; Y3-M12 HydrophobicContact CE1-CG 3.88Å; C8-M12 VanDerWaalsContact O-CB 3.29Å; C8-M12 WeakPolarHBondContact O-CB 3.44Å; C8-M12 VanDerWaalsContact O-CG 3.26Å; C8-M12 WeakPolarHBondContact O-CG 3.05Å; C8-M12 PolarHBondContact O-N 2.93Å; Q9-M12 CarbonylContact O-C 3.55Å; Q9-M12 PolarHBondContact O-N 3.32Å; L10-M12 VanDerWaalsContact C-N 3.3Å; L10-M12 PolarHBondContact O-N 3.22Å; M12-R14 PolarHBondContact O-N 3.49Å; M12-V15 HydrophobicContact CE-CB 4.02Å; M12-V15 HydrophobicContact CE-CG1 4.1Å; M12-V15 HydrophobicContact CE-CG2 4.24Å; M12-V15 PolarHBondContact O-N 3.09Å; M12-V15 VanDerWaalsContact O-N 3.15Å; M12-H16 WeakPolarHBondContact O-CB 3.3Å; M12-H16 PolarHBondContact O-N 3.28Å
13W84.7Confident81.9Confident130 Ų13084 Ų8449%0.49239%0.391SS..Hα-helixtrans-59.4-41.7-172-176.8-113.8000113.3Q9 L10 L11 V15 H16 K17Q9-W13 PolarHBondContact O-N 3.47Å; L10-W13 VanDerWaalsContact O-CB 3.23Å; L10-W13 WeakPolarHBondContact O-CB 3.46Å; L10-W13 PolarHBondContact O-N 3.3Å; L10-W13 VanDerWaalsContact O-N 3.16Å; L11-W13 VanDerWaalsContact C-N 3.32Å; W13-V15 PolarHBondContact O-N 2.89Å; W13-H16 AromaticContact CZ3-CD2 3.89Å; W13-H16 PolarHBondContact O-N 2.88Å; W13-K17 VanDerWaalsContact O-CB 3.23Å; W13-K17 WeakPolarHBondContact O-CB 3.48Å; W13-K17 PolarHBondContact O-N 2.87Å
14R78.8Confident81.9Confident163 Ų16387 Ų8762%0.61541%0.409SS*.Hα-helixtrans-57.8-38.9179.5-178.7174.8172.1-178.7-8.1112.2M12 D45M12-R14 PolarHBondContact O-N 3.49Å; R14-D45 IonicContact NH2-OD2 3.51Å
15V78.3Confident82.1Confident10 Ų1088.4 Ų88.46%0.06140%0.402CS..Hα-helixtrans-77-53177.8178.60000109.8M12 W13 K17 R18 E19 R39 M43M12-V15 HydrophobicContact CE-CB 4.02Å; M12-V15 HydrophobicContact CE-CG1 4.1Å; M12-V15 HydrophobicContact CE-CG2 4.24Å; M12-V15 PolarHBondContact O-N 3.09Å; M12-V15 VanDerWaalsContact O-N 3.15Å; W13-V15 PolarHBondContact O-N 2.89Å; V15-K17 VanDerWaalsContact C-N 3.27Å; V15-K17 PolarHBondContact O-N 3.3Å; V15-R18 WeakPolarHBondContact O-CB 3.13Å; V15-R18 PolarHBondContact O-N 2.96Å; V15-E19 HydrophobicContact CG1-CG 4.4Å; V15-E19 VanDerWaalsContact CG1-OE1 3.26Å; V15-E19 WeakPolarHBondContact CG1-OE1 3.44Å; V15-E19 PolarHBondContact O-N 3.1Å; V15-R39 HydrophobicContact CG1-CG 3.77Å; V15-M43 HydrophobicContact CG2-CE 3.26Å
16H82.4Confident82Confident23 Ų2387.7 Ų87.711%0.10640%0.397CS..Hα-helixtrans-59.3-37.2-176.6178.657.3000112.1Y3 M12 W13 R18 E19 C20Y3-H16 WeakPolarHBondContact OH-CB 3.32Å; M12-H16 WeakPolarHBondContact O-CB 3.3Å; M12-H16 PolarHBondContact O-N 3.28Å; W13-H16 AromaticContact CZ3-CD2 3.89Å; W13-H16 PolarHBondContact O-N 2.88Å; H16-R18 PolarHBondContact O-N 3.44Å; H16-E19 CarbonylContact O-C 3.4Å; H16-E19 PolarHBondContact O-N 3.07Å; H16-E19 VanDerWaalsContact O-N 3.08Å; H16-C20 WeakPolarHBondContact O-CA 3.13Å; H16-C20 WeakPolarHBondContact O-CB 3.4Å; H16-C20 PolarHBondContact O-N 3.34Å
17K82.1Confident81.6Confident140 Ų14087.2 Ų87.261%0.60940%0.403SS*.Hα-helixtrans-56.5-33.8176.7-173.6177.6-178.9-1780112.4W13 V15W13-K17 VanDerWaalsContact O-CB 3.23Å; W13-K17 WeakPolarHBondContact O-CB 3.48Å; W13-K17 PolarHBondContact O-N 2.87Å; V15-K17 VanDerWaalsContact C-N 3.27Å; V15-K17 PolarHBondContact O-N 3.3Å
18R73.7Confident81.2Confident137 Ų13787.2 Ų87.252%0.51740%0.395SS..Hα-helixtrans-77.1-40.1176.2-60.6179.7178.9-178.3-1.3111.6V15 H16 S42V15-R18 WeakPolarHBondContact O-CB 3.13Å; V15-R18 PolarHBondContact O-N 2.96Å; H16-R18 PolarHBondContact O-N 3.44Å; R18-S42 PolarHBondContact NH1-O 3.42Å
19E78.1Confident80.8Confident9 Ų991.1 Ų91.14%0.04241%0.414CS..Hα-helixtrans-79-24.7-178.7-58.4174.5174.300113.4V15 H16 K21 Q22 Y23 R39V15-E19 HydrophobicContact CG1-CG 4.4Å; V15-E19 VanDerWaalsContact CG1-OE1 3.26Å; V15-E19 WeakPolarHBondContact CG1-OE1 3.44Å; V15-E19 PolarHBondContact O-N 3.1Å; H16-E19 CarbonylContact O-C 3.4Å; H16-E19 PolarHBondContact O-N 3.07Å; H16-E19 VanDerWaalsContact O-N 3.08Å; E19-K21 PolarHBondContact O-N 3.14Å; E19-Q22 PolarHBondContact O-N 3.29Å; E19-Y23 HydrophobicContact CB-CD2 3.89Å; E19-Y23 HydrophobicContact CB-CE2 3.29Å; E19-Y23 VanDerWaalsContact CD-OH 3.31Å; E19-Y23 HydrophobicContact CG-CE2 4.28Å; E19-Y23 WeakPolarHBondContact O-CD2 3.22Å; E19-Y23 PolarHBondContact O-N 2.87Å; E19-Y23 VanDerWaalsContact OE2-CE2 3.27Å; E19-Y23 WeakPolarHBondContact OE2-CE2 3.38Å; E19-Y23 VanDerWaalsContact OE2-CZ 3.3Å; E19-Y23 PolarHBondContact OE2-OH 3.25Å; E19-R39 WeakPolarHBondContact OE1-CG 3.47Å; E19-R39 IonicContact OE1-NE 2.71Å
20C83.1Confident80.6Confident39 Ų3987.1 Ų87.126%0.26440%0.396SS..Hα-helixtrans-60.7-43.1-168.3-175.30000112.7H16 Q22 Y23 I24H16-C20 WeakPolarHBondContact O-CA 3.13Å; H16-C20 WeakPolarHBondContact O-CB 3.4Å; H16-C20 PolarHBondContact O-N 3.34Å; C20-Q22 VanDerWaalsContact C-N 3.27Å; C20-Q22 PolarHBondContact O-N 3.17Å; C20-Y23 PolarHBondContact O-N 2.88Å; C20-I24 WeakPolarHBondContact O-CG1 3.47Å; C20-I24 PolarHBondContact O-N 2.89Å
21K79.8Confident80.4Confident172 Ų17286.6 Ų86.675%0.74839%0.392SS*.Hα-helixtrans-58.7-41.4176.4-67.5-172.4178.8-174.70111.7E19 I24 K25E19-K21 PolarHBondContact O-N 3.14Å; K21-I24 PolarHBondContact O-N 2.88Å; K21-K25 WeakPolarHBondContact O-CB 3.43Å; K21-K25 PolarHBondContact O-N 2.97Å
22Q77.7Confident80.7Confident39 Ų3982.7 Ų82.718%0.18238%0.376CS..Hα-helixtrans-73.3-37.6179.2-61.6-61.813.900112.1E19 C20 I24 K25 C26 F80 L81E19-Q22 PolarHBondContact O-N 3.29Å; C20-Q22 VanDerWaalsContact C-N 3.27Å; C20-Q22 PolarHBondContact O-N 3.17Å; Q22-I24 VanDerWaalsContact C-N 3.28Å; Q22-I24 PolarHBondContact O-N 3.45Å; Q22-K25 PolarHBondContact O-N 3.25Å; Q22-C26 WeakPolarHBondContact O-CB 3.21Å; Q22-C26 PolarHBondContact O-N 3.47Å; Q22-C26 PolarHBondContact O-SG 3.07Å; Q22-F80 HydrophobicContact CB-CD1 4.22Å; Q22-F80 HydrophobicContact CB-CD2 4.46Å; Q22-F80 HydrophobicContact CB-CE1 3.62Å; Q22-F80 HydrophobicContact CB-CE2 3.88Å; Q22-F80 HydrophobicContact CB-CZ 3.42Å; Q22-F80 VanDerWaalsContact CB-CZ 3.42Å; Q22-F80 WeakPolarHBondContact CB-O 3.42Å; Q22-F80 HydrophobicContact CG-CE1 4.35Å; Q22-F80 PolarHBondContact OE1-O 3.29Å; Q22-L81 PolarHBondContact NE2-O 3.35Å
23Y81.7Confident81Confident26 Ų2682.7 Ų82.710%0.10238%0.378CS..Hα-helixtrans-60.5-37.9172.9-67.5-44.2000112.8M1 E19 C20 E27 L29 P30 F80M1-Y23 HydrophobicContact CE-CD2 4.25Å; M1-Y23 HydrophobicContact CE-CE2 3.57Å; E19-Y23 HydrophobicContact CB-CD2 3.89Å; E19-Y23 HydrophobicContact CB-CE2 3.29Å; E19-Y23 VanDerWaalsContact CD-OH 3.31Å; E19-Y23 HydrophobicContact CG-CE2 4.28Å; E19-Y23 WeakPolarHBondContact O-CD2 3.22Å; E19-Y23 PolarHBondContact O-N 2.87Å; E19-Y23 VanDerWaalsContact OE2-CE2 3.27Å; E19-Y23 WeakPolarHBondContact OE2-CE2 3.38Å; E19-Y23 VanDerWaalsContact OE2-CZ 3.3Å; E19-Y23 PolarHBondContact OE2-OH 3.25Å; C20-Y23 PolarHBondContact O-N 2.88Å; Y23-E27 PolarHBondContact O-N 3.49Å; Y23-L29 HydrophobicContact CD1-CD1 3.93Å; Y23-L29 HydrophobicContact CE1-CD1 3.57Å; Y23-P30 VanDerWaalsContact CE1-CD 3.48Å; Y23-P30 HydrophobicContact CE1-CG 4.28Å; Y23-F80 AromaticContact CD1-CE2 3.38Å; Y23-F80 HydrophobicContact CD1-CE2 3.38Å; Y23-F80 AromaticContact CD1-CZ 3.3Å; Y23-F80 HydrophobicContact CD1-CZ 3.3Å; Y23-F80 HydrophobicContact CE1-CE1 4.22Å; Y23-F80 AromaticContact CE1-CE2 3.63Å; Y23-F80 HydrophobicContact CE1-CE2 3.63Å; Y23-F80 AromaticContact CE1-CZ 3.26Å; Y23-F80 HydrophobicContact CE1-CZ 3.26Å; Y23-F80 HydrophobicContact CG-CE2 4.3Å; Y23-F80 HydrophobicContact CG-CZ 4.04Å
24I82.1Confident81.2Confident121 Ų12176.5 Ų76.562%0.62135%0.354SS*.Hα-helixtrans-68.3-48.7175.1-66.4166.9000109.9C20 K21 Q22 C26 E27C20-I24 WeakPolarHBondContact O-CG1 3.47Å; C20-I24 PolarHBondContact O-N 2.89Å; K21-I24 PolarHBondContact O-N 2.88Å; Q22-I24 VanDerWaalsContact C-N 3.28Å; Q22-I24 PolarHBondContact O-N 3.45Å; I24-C26 PolarHBondContact O-N 2.85Å; I24-E27 WeakPolarHBondContact O-CG 3.33Å; I24-E27 PolarHBondContact O-N 2.84Å
25K80.4Confident81.6Confident147 Ų14771.5 Ų71.564%0.63934%0.335SS*.Hα-helixtrans-62.1-43.4-177.6-176.2-178.3176.9-175.20113.2K21 Q22 E27K21-K25 WeakPolarHBondContact O-CB 3.43Å; K21-K25 PolarHBondContact O-N 2.97Å; Q22-K25 PolarHBondContact O-N 3.25Å; K25-E27 VanDerWaalsContact C-N 3.35Å
26C77.7Confident82.2Confident33 Ų3372.2 Ų72.222%0.22334%0.339CS..Hα-helixtrans-84.2-12.4-177.2-61.70000113.2Q22 I24 R28 F80Q22-C26 WeakPolarHBondContact O-CB 3.21Å; Q22-C26 PolarHBondContact O-N 3.47Å; Q22-C26 PolarHBondContact O-SG 3.07Å; I24-C26 PolarHBondContact O-N 2.85Å; C26-R28 HydrophobicContact CB-CG 4.02Å; C26-R28 WeakPolarHBondContact O-CG 3.09Å; C26-R28 PolarHBondContact O-N 2.84Å; C26-F80 HydrophobicContact CB-CD2 4.16Å; C26-F80 HydrophobicContact CB-CE2 4.44Å
27E79.5Confident82.6Confident182 Ų18271.1 Ų71.185%0.8533%0.334SS*.  trans51.911.5-175.4-59.6-173.3166.100115.3Y23 I24 K25Y23-E27 PolarHBondContact O-N 3.49Å; I24-E27 WeakPolarHBondContact O-CG 3.33Å; I24-E27 PolarHBondContact O-N 2.84Å; K25-E27 VanDerWaalsContact C-N 3.35Å
28R77.1Confident82.7Confident109 Ų10964.9 Ų64.941%0.41131%0.307SS..SBendtrans-131.7143.9-177.670.5-173.9177.9127.9-5.7111C26 D79C26-R28 HydrophobicContact CB-CG 4.02Å; C26-R28 WeakPolarHBondContact O-CG 3.09Å; C26-R28 PolarHBondContact O-N 2.84Å; R28-D79 IonicContact NH2-OD2 2.96Å
29L78.4Confident83.3Confident100 Ų10061.3 Ų61.352%0.52429%0.294SS..PPolyproline II helixtrans-88.1119.8169.7-17072.8000108.8M1 Y23M1-L29 HydrophobicContact CE-CD1 3.48Å; M1-L29 VanDerWaalsContact CE-CD1 3.48Å; Y23-L29 HydrophobicContact CD1-CD1 3.93Å; Y23-L29 HydrophobicContact CE1-CD1 3.57Å
30P82.7Confident83.7Confident6 Ų661.3 Ų61.34%0.03929%0.294CS..PPolyproline II helixtrans-61.3152.9173.7-19.232.4000111.7Y23 V34 R35 T76 F80Y23-P30 VanDerWaalsContact CE1-CD 3.48Å; Y23-P30 HydrophobicContact CE1-CG 4.28Å; P30-V34 HydrophobicContact CB-CB 3.88Å; P30-V34 HydrophobicContact CB-CG1 3.5Å; P30-V34 VanDerWaalsContact CB-CG1 3.5Å; P30-V34 HydrophobicContact CG-CG1 4.28Å; P30-R35 HydrophobicContact CB-CG 4.22Å; P30-R35 WeakPolarHBondContact O-CD 3.32Å; P30-R35 WeakPolarHBondContact O-CG 3.15Å; P30-R35 PolarHBondContact O-NE 2.79Å; P30-R35 VanDerWaalsContact O-NE 3.13Å; P30-T76 HydrophobicContact CB-CG2 4.42Å; P30-F80 HydrophobicContact CG-CB 4.34Å; P30-F80 HydrophobicContact CG-CD1 4.24Å; P30-F80 HydrophobicContact CG-CD2 3.36Å; P30-F80 HydrophobicContact CG-CE1 4.45Å; P30-F80 HydrophobicContact CG-CE2 3.63Å; P30-F80 HydrophobicContact CG-CG 3.7Å; P30-F80 HydrophobicContact CG-CZ 4.17Å
31I85.5Confident83.6Confident96 Ų9661.4 Ų61.449%0.49229%0.291SS..PPolyproline II helixtrans-57155176.359.8169.7000111.6P33 V34 R35I31-P33 VanDerWaalsContact C-CD 3.49Å; I31-V34 HydrophobicContact CD1-CG2 4.21Å; I31-V34 HydrophobicContact CG1-CB 4.17Å; I31-V34 HydrophobicContact CG1-CG2 3.64Å; I31-V34 WeakPolarHBondContact O-CB 3.34Å; I31-V34 PolarHBondContact O-N 3.34Å; I31-V34 VanDerWaalsContact O-N 3.1Å; I31-R35 PolarHBondContact O-N 3.25Å; I31-R35 VanDerWaalsContact O-N 3.16Å
32A87.9Confident83.5Confident24 Ų2454.8 Ų54.820%0.19827%0.267CS..Hα-helixtrans-54.6-40.9-172.300000114.8V34 R35 L36A32-V34 PolarHBondContact O-N 3.01Å; A32-R35 PolarHBondContact O-N 3.1Å; A32-L36 PolarHBondContact O-N 2.72Å
33P89.3Confident83.4Confident31 Ų3155.4 Ų55.420%0.20127%0.27CS..Hα-helixtrans-60.3-42.1175.6-24.734.5000113.8I31 R35 L36 I37 I73 P116I31-P33 VanDerWaalsContact C-CD 3.49Å; P33-R35 PolarHBondContact O-N 3.16Å; P33-L36 PolarHBondContact O-N 2.85Å; P33-I37 WeakPolarHBondContact O-CG1 3.12Å; P33-I37 PolarHBondContact O-N 2.74Å; P33-I73 HydrophobicContact CB-CD1 3.9Å; P33-P116 HydrophobicContact CG-CG 4.23Å
34V88.6Confident82.6Confident0 Ų061.6 Ų61.60%030%0.3CS..Hα-helixtrans-61.9-45.8177.7170.90000110.2P30 I31 A32 L36 I37 L38 I73 T76 L77P30-V34 HydrophobicContact CB-CB 3.88Å; P30-V34 HydrophobicContact CB-CG1 3.5Å; P30-V34 VanDerWaalsContact CB-CG1 3.5Å; P30-V34 HydrophobicContact CG-CG1 4.28Å; I31-V34 HydrophobicContact CD1-CG2 4.21Å; I31-V34 HydrophobicContact CG1-CB 4.17Å; I31-V34 HydrophobicContact CG1-CG2 3.64Å; I31-V34 WeakPolarHBondContact O-CB 3.34Å; I31-V34 PolarHBondContact O-N 3.34Å; I31-V34 VanDerWaalsContact O-N 3.1Å; A32-V34 PolarHBondContact O-N 3.01Å; V34-L36 VanDerWaalsContact C-N 3.3Å; V34-L36 PolarHBondContact O-N 2.84Å; V34-I37 PolarHBondContact O-N 3.45Å; V34-L38 HydrophobicContact CG1-CD1 4.13Å; V34-L38 WeakPolarHBondContact O-CG 3.38Å; V34-L38 PolarHBondContact O-N 2.84Å; V34-I73 HydrophobicContact CG2-CB 4.35Å; V34-I73 HydrophobicContact CG2-CG1 4.2Å; V34-I73 HydrophobicContact CG2-CG2 4.08Å; V34-T76 HydrophobicContact CG1-CG2 4.23Å; V34-T76 HydrophobicContact CG2-CG2 3.89Å; V34-L77 HydrophobicContact CG1-CD2 3.59Å; V34-L77 HydrophobicContact CG1-CG 3.9Å
35R88.2Confident81.6Confident57 Ų5761.4 Ų61.422%0.21530%0.3CS..Hα-helixtrans-61.7-37.8176.3-67-173.3-68.5137.63.3112.2P30 I31 A32 P33 R39P30-R35 HydrophobicContact CB-CG 4.22Å; P30-R35 WeakPolarHBondContact O-CD 3.32Å; P30-R35 WeakPolarHBondContact O-CG 3.15Å; P30-R35 PolarHBondContact O-NE 2.79Å; P30-R35 VanDerWaalsContact O-NE 3.13Å; I31-R35 PolarHBondContact O-N 3.25Å; I31-R35 VanDerWaalsContact O-N 3.16Å; A32-R35 PolarHBondContact O-N 3.1Å; P33-R35 PolarHBondContact O-N 3.16Å; R35-R39 WeakPolarHBondContact O-CB 3.48Å; R35-R39 WeakPolarHBondContact O-CD 3.46Å; R35-R39 WeakPolarHBondContact O-CG 3.49Å; R35-R39 PolarHBondContact O-N 2.91Å; R35-R39 VanDerWaalsContact O-N 3.12Å
36L90.5Very high80.6Confident25 Ų2558.9 Ų58.913%0.13129%0.291CS..Hα-helixtrans-64.1-44.7176.4-179.459.5000111.5A32 P33 V34 R39 I40 I99 P116A32-L36 PolarHBondContact O-N 2.72Å; P33-L36 PolarHBondContact O-N 2.85Å; V34-L36 VanDerWaalsContact C-N 3.3Å; V34-L36 PolarHBondContact O-N 2.84Å; L36-R39 WeakPolarHBondContact O-CB 3.17Å; L36-R39 PolarHBondContact O-N 3.06Å; L36-I40 HydrophobicContact CD1-CD1 4.14Å; L36-I40 HydrophobicContact CD1-CG1 4.46Å; L36-I40 HydrophobicContact CG-CD1 4.02Å; L36-I40 WeakPolarHBondContact O-CG1 3.43Å; L36-I40 PolarHBondContact O-N 2.72Å; L36-I99 HydrophobicContact CD2-CD1 3.91Å; L36-I99 HydrophobicContact CD2-CG1 4.03Å; L36-I99 HydrophobicContact CD2-CG2 3.86Å; L36-I99 HydrophobicContact CG-CD1 3.97Å; L36-I99 HydrophobicContact CG-CG1 4.48Å; L36-P116 HydrophobicContact CD2-CB 4.01Å; L36-P116 HydrophobicContact CD2-CG 4.11Å
37I89.9Confident79.8Confident1 Ų161.2 Ų61.21%0.00530%0.297CS..Hα-helixtrans-62.7-47.3177.7-67.6169.4000111.2P33 V34 R39 I40 I41 I73 L77 I92 I95 F96 I99P33-I37 WeakPolarHBondContact O-CG1 3.12Å; P33-I37 PolarHBondContact O-N 2.74Å; V34-I37 PolarHBondContact O-N 3.45Å; I37-R39 PolarHBondContact O-N 3.36Å; I37-I40 PolarHBondContact O-N 3.19Å; I37-I40 VanDerWaalsContact O-N 3.15Å; I37-I41 HydrophobicContact CG2-CD1 3.62Å; I37-I41 HydrophobicContact CG2-CG1 4.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.22Å; I37-I41 PolarHBondContact O-N 3.04Å; I37-I73 HydrophobicContact CD1-CG2 3.48Å; I37-I73 VanDerWaalsContact CD1-CG2 3.48Å; I37-L77 HydrophobicContact CB-CD1 4.31Å; I37-L77 HydrophobicContact CD1-CD1 4.28Å; I37-L77 HydrophobicContact CG2-CD1 3.75Å; I37-L77 HydrophobicContact CG2-CD2 4.29Å; I37-I92 HydrophobicContact CG2-CG2 4.31Å; I37-I95 HydrophobicContact CG1-CG2 4.13Å; I37-I95 HydrophobicContact CG2-CG2 4.34Å; I37-F96 HydrophobicContact CD1-CB 4.42Å; I37-I99 HydrophobicContact CD1-CD1 4.38Å; I37-I99 HydrophobicContact CG1-CD1 3.5Å
38L84.8Confident78.9Confident9 Ų957 Ų575%0.04729%0.287CS..Hα-helixtrans-55.4-40.7176.8-72.9171000112.2V34 S42 L77 F80 L81V34-L38 HydrophobicContact CG1-CD1 4.13Å; V34-L38 WeakPolarHBondContact O-CG 3.38Å; V34-L38 PolarHBondContact O-N 2.84Å; L38-S42 VanDerWaalsContact O-CB 3.25Å; L38-S42 WeakPolarHBondContact O-CB 3.1Å; L38-S42 PolarHBondContact O-N 3.44Å; L38-S42 PolarHBondContact O-OG 3.18Å; L38-L77 HydrophobicContact CD1-CD2 4.15Å; L38-L77 HydrophobicContact CD2-CD2 3.46Å; L38-L77 VanDerWaalsContact CD2-CD2 3.46Å; L38-L77 HydrophobicContact CG-CD2 3.43Å; L38-L77 VanDerWaalsContact CG-CD2 3.43Å; L38-F80 HydrophobicContact CD1-CD1 3.46Å; L38-F80 VanDerWaalsContact CD1-CD1 3.46Å; L38-F80 HydrophobicContact CD1-CE1 3.57Å; L38-F80 HydrophobicContact CD1-CG 4.45Å; L38-F80 HydrophobicContact CD2-CD1 4.48Å; L38-L81 HydrophobicContact CD2-CD1 3.81Å; L38-L81 HydrophobicContact CD2-CD2 3.86Å; L38-L81 HydrophobicContact CD2-CG 3.96Å
39R85.6Confident78.7Confident61 Ų6157 Ų5723%0.2329%0.292CS..Hα-helixtrans-66.1-45.2178.3-72.9173.4-177.6-172.51.1112V15 E19 R35 L36 I37 S42 M43V15-R39 HydrophobicContact CG1-CG 3.77Å; E19-R39 WeakPolarHBondContact OE1-CG 3.47Å; E19-R39 IonicContact OE1-NE 2.71Å; R35-R39 WeakPolarHBondContact O-CB 3.48Å; R35-R39 WeakPolarHBondContact O-CD 3.46Å; R35-R39 WeakPolarHBondContact O-CG 3.49Å; R35-R39 PolarHBondContact O-N 2.91Å; R35-R39 VanDerWaalsContact O-N 3.12Å; L36-R39 WeakPolarHBondContact O-CB 3.17Å; L36-R39 PolarHBondContact O-N 3.06Å; I37-R39 PolarHBondContact O-N 3.36Å; R39-S42 PolarHBondContact O-N 3.43Å; R39-M43 WeakPolarHBondContact O-CB 3.43Å; R39-M43 VanDerWaalsContact O-CG 3.28Å; R39-M43 WeakPolarHBondContact O-CG 3.46Å; R39-M43 PolarHBondContact O-N 3.17Å
40I87Confident79Confident10 Ų1052.6 Ų52.65%0.05127%0.268CS..Hα-helixtrans-61.9-46.2178-69.4164.9000110.6L36 I37 S42 M43 I50 I95 I99 L118L36-I40 HydrophobicContact CD1-CD1 4.14Å; L36-I40 HydrophobicContact CD1-CG1 4.46Å; L36-I40 HydrophobicContact CG-CD1 4.02Å; L36-I40 WeakPolarHBondContact O-CG1 3.43Å; L36-I40 PolarHBondContact O-N 2.72Å; I37-I40 PolarHBondContact O-N 3.19Å; I37-I40 VanDerWaalsContact O-N 3.15Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 3.36Å; I40-M43 PolarHBondContact O-N 3.11Å; I40-I50 HydrophobicContact CB-CD1 4.3Å; I40-I50 HydrophobicContact CD1-CD1 4.23Å; I40-I50 HydrophobicContact CG1-CD1 3.89Å; I40-I50 HydrophobicContact CG2-CD1 3.53Å; I40-I95 HydrophobicContact CB-CG2 4.23Å; I40-I95 HydrophobicContact CD1-CG2 3.88Å; I40-I95 HydrophobicContact CG2-CD1 3.91Å; I40-I95 HydrophobicContact CG2-CG1 4.1Å; I40-I95 HydrophobicContact CG2-CG2 3.93Å; I40-I99 HydrophobicContact CD1-CD1 3.81Å; I40-I99 HydrophobicContact CD1-CG1 4.04Å; I40-L118 HydrophobicContact CD1-CD1 3.71Å
41I81.9Confident79.1Confident40 Ų4056.4 Ų56.421%0.20529%0.288CS..Hα-helixtrans-60.8-40.3176.9-64.9168.2000110.9I37 A87 I92 I95I37-I41 HydrophobicContact CG2-CD1 3.62Å; I37-I41 HydrophobicContact CG2-CG1 4.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.22Å; I37-I41 PolarHBondContact O-N 3.04Å; I41-A87 HydrophobicContact CD1-CB 4.22Å; I41-A87 HydrophobicContact CG1-CB 4.46Å; I41-A87 HydrophobicContact CG2-CB 4.15Å; I41-I92 HydrophobicContact CD1-CD1 4.49Å; I41-I92 HydrophobicContact CD1-CG1 4.06Å; I41-I95 HydrophobicContact CG1-CD1 3.7Å
42S77.2Confident79.2Confident34 Ų3455.3 Ų55.324%0.23829%0.289CS..Hα-helixtrans-72.9-27.8-178.7-64.80000113.7R18 L38 R39 I40 Q44R18-S42 PolarHBondContact NH1-O 3.42Å; L38-S42 VanDerWaalsContact O-CB 3.25Å; L38-S42 WeakPolarHBondContact O-CB 3.1Å; L38-S42 PolarHBondContact O-N 3.44Å; L38-S42 PolarHBondContact O-OG 3.18Å; R39-S42 PolarHBondContact O-N 3.43Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 3.36Å; S42-Q44 PolarHBondContact O-N 2.86Å
43M75.9Confident79.4Confident52 Ų5254.9 Ų54.926%0.25628%0.283SS..  trans-94.670.5-178.8-67.2-177.6-168.600110.9V15 R39 I40 D45 Q46 K47V15-M43 HydrophobicContact CG2-CE 3.26Å; R39-M43 WeakPolarHBondContact O-CB 3.43Å; R39-M43 VanDerWaalsContact O-CG 3.28Å; R39-M43 WeakPolarHBondContact O-CG 3.46Å; R39-M43 PolarHBondContact O-N 3.17Å; I40-M43 PolarHBondContact O-N 3.11Å; M43-D45 PolarHBondContact O-N 2.94Å; M43-D45 VanDerWaalsContact O-N 3.16Å; M43-Q46 HydrophobicContact CB-CB 4.24Å; M43-Q46 HydrophobicContact CB-CG 4.43Å; M43-Q46 PolarHBondContact O-N 3.48Å; M43-Q46 PolarHBondContact SD-OE1 2.67Å; M43-K47 PolarHBondContact O-N 2.89Å
44Q65Low79.5Confident156 Ų15660.8 Ų60.873%0.72931%0.306SS*.Hα-helixtrans-49.9-40.5177.6-79.3175.2-1700113.1S42 Q46 K47S42-Q44 PolarHBondContact O-N 2.86Å; Q44-Q46 PolarHBondContact O-N 3.19Å; Q44-K47 VanDerWaalsContact O-CB 3.25Å; Q44-K47 WeakPolarHBondContact O-CB 3.4Å; Q44-K47 PolarHBondContact O-N 2.99Å
45D61Low79.6Confident116 Ų11661.9 Ų61.962%0.6231%0.314SS*.Hα-helixtrans-59.6-28.2179.4-56.6-32.5000113.3R14 M43R14-D45 IonicContact NH2-OD2 3.51Å; M43-D45 PolarHBondContact O-N 2.94Å; M43-D45 VanDerWaalsContact O-N 3.16Å
46Q59.9Low79.9Confident95 Ų9561.9 Ų61.944%0.44432%0.316SS..Hα-helixtrans-91.3-14.3177.9-69.4-169.6-6.300113.4M43 Q44 C48 H49 I50M43-Q46 HydrophobicContact CB-CB 4.24Å; M43-Q46 HydrophobicContact CB-CG 4.43Å; M43-Q46 PolarHBondContact O-N 3.48Å; M43-Q46 PolarHBondContact SD-OE1 2.67Å; Q44-Q46 PolarHBondContact O-N 3.19Å; Q46-C48 VanDerWaalsContact C-N 3.3Å; Q46-C48 PolarHBondContact O-N 3.46Å; Q46-H49 PolarHBondContact O-N 3.3Å; Q46-H49 VanDerWaalsContact O-N 3.12Å; Q46-I50 PolarHBondContact O-N 3.02Å
47K59.8Low80.2Confident81 Ų8162.4 Ų62.435%0.35232%0.318SS..Hα-helixtrans-57.9-43.7-175.5-168.1179.8177.7-175.80111.3M43 Q44 H49 I50 D51M43-K47 PolarHBondContact O-N 2.89Å; Q44-K47 VanDerWaalsContact O-CB 3.25Å; Q44-K47 WeakPolarHBondContact O-CB 3.4Å; Q44-K47 PolarHBondContact O-N 2.99Å; K47-H49 PolarHBondContact O-N 3.2Å; K47-H49 VanDerWaalsContact O-N 3.08Å; K47-I50 PolarHBondContact O-N 3.49Å; K47-D51 VanDerWaalsContact O-CG 3.28Å; K47-D51 PolarHBondContact O-N 3.12Å
48C60.1Low80.5Confident94 Ų9467.2 Ų67.264%0.63534%0.344SS*.Hα-helixtrans-56.4-30.5179.8-55.60000113.6Q46Q46-C48 VanDerWaalsContact C-N 3.3Å; Q46-C48 PolarHBondContact O-N 3.46Å
49H73.4Confident81.1Confident110 Ų11070.5 Ų70.551%0.50936%0.359SS..Hα-helixtrans-82.4-31.2179.5-63.7-57.5000112.8Q46 K47 D51 S52 L120Q46-H49 PolarHBondContact O-N 3.3Å; Q46-H49 VanDerWaalsContact O-N 3.12Å; K47-H49 PolarHBondContact O-N 3.2Å; K47-H49 VanDerWaalsContact O-N 3.08Å; H49-D51 VanDerWaalsContact C-N 3.27Å; H49-S52 PolarHBondContact O-OG 3.38Å; H49-L120 HydrophobicContact CB-CD1 3.65Å
50I84.3Confident81.6Confident6 Ų667.6 Ų67.63%0.03135%0.348CS..Hα-helixtrans-72.4-27.6174.7-64.2165.5000110.2I40 Q46 K47 S52 L53 K98 L118 L120I40-I50 HydrophobicContact CB-CD1 4.3Å; I40-I50 HydrophobicContact CD1-CD1 4.23Å; I40-I50 HydrophobicContact CG1-CD1 3.89Å; I40-I50 HydrophobicContact CG2-CD1 3.53Å; Q46-I50 PolarHBondContact O-N 3.02Å; K47-I50 PolarHBondContact O-N 3.49Å; I50-S52 PolarHBondContact O-N 3.06Å; I50-S52 VanDerWaalsContact O-N 3.13Å; I50-L53 HydrophobicContact CG2-CD1 4.46Å; I50-L53 WeakPolarHBondContact O-CB 3.19Å; I50-L53 PolarHBondContact O-N 3.16Å; I50-K98 HydrophobicContact CG2-CB 4.43Å; I50-K98 HydrophobicContact CG2-CD 3.76Å; I50-K98 WeakPolarHBondContact O-CD 3.43Å; I50-K98 PolarHBondContact O-NZ 2.87Å; I50-L118 HydrophobicContact CD1-CD1 4.3Å; I50-L118 HydrophobicContact CG1-CD1 4.38Å; I50-L120 HydrophobicContact CG1-CD2 3.73Å
51D85.2Confident82Confident86 Ų8672.6 Ų72.646%0.4637%0.366SS..Hα-helixtrans-57.2-31.2179.4-69-24.6000113K47 H49 L53 K98K47-D51 VanDerWaalsContact O-CG 3.28Å; K47-D51 PolarHBondContact O-N 3.12Å; H49-D51 VanDerWaalsContact C-N 3.27Å; D51-L53 PolarHBondContact O-N 3.36Å; D51-K98 VanDerWaalsContact C-NZ 3.33Å; D51-K98 PolarHBondContact O-NZ 3.33Å; D51-K98 IonicContact OD1-NZ 3.88Å
52S87.3Confident82.7Confident74 Ų7479.2 Ų79.252%0.51739%0.393SS..THydrogen-bonded Turntrans-76.1-9.5177.668.80000116.5H49 I50H49-S52 PolarHBondContact O-OG 3.38Å; I50-S52 PolarHBondContact O-N 3.06Å; I50-S52 VanDerWaalsContact O-N 3.13Å
53L92Very high83.5Confident14 Ų1479.5 Ų79.57%0.07339%0.392CS..SBendtrans-81.1143.4-178.4-63.5178.4000111.9I50 D51 K98 N102 L118 L120 A123I50-L53 HydrophobicContact CG2-CD1 4.46Å; I50-L53 WeakPolarHBondContact O-CB 3.19Å; I50-L53 PolarHBondContact O-N 3.16Å; D51-L53 PolarHBondContact O-N 3.36Å; L53-K98 HydrophobicContact CB-CD 4.44Å; L53-K98 HydrophobicContact CB-CG 4.42Å; L53-K98 VanDerWaalsContact O-CE 3.32Å; L53-K98 WeakPolarHBondContact O-CE 3.28Å; L53-N102 HydrophobicContact CD1-CB 3.99Å; L53-L118 HydrophobicContact CD1-CD2 4.32Å; L53-L120 HydrophobicContact CD1-CD2 3.96Å; L53-A123 HydrophobicContact CD2-CB 3.91Å
54F91.3Very high84.4Confident156 Ų15684.3 Ų84.368%0.68441%0.412SS*.  trans-62.2139.2172.4-69.2-73000110.9I101 N102F54-I101 HydrophobicContact CB-CG2 4.48Å; F54-N102 PolarHBondContact O-ND2 3.45Å
55S91.7Very high85.8Confident22 Ų2282.3 Ų82.315%0.15441%0.406CS..  trans-113.1-26.2-17761.30000113.8E57 I60 C97 I101S55-E57 WeakPolarHBondContact CB-OE1 3.4Å; S55-E57 PolarHBondContact O-N 3.06Å; S55-E57 VanDerWaalsContact OG-CD 3.31Å; S55-E57 WeakPolarHBondContact OG-CG 3.4Å; S55-E57 PolarHBondContact OG-OE1 3.33Å; S55-I60 WeakPolarHBondContact O-CD1 3.26Å; S55-C97 WeakPolarHBondContact O-CB 3.34Å; S55-I101 WeakPolarHBondContact O-CG1 3.43Å
56H95.1Very high87.4Confident58 Ų5878 Ų7827%0.26938%0.383SS..  trans4838.6-172.7-69.9-80.6000112.9N58 E59 I60 I101 Y179H56-N58 PolarHBondContact O-N 3.01Å; H56-E59 VanDerWaalsContact C-OE2 3.31Å; H56-E59 VanDerWaalsContact CA-OE2 3.29Å; H56-E59 WeakPolarHBondContact CA-OE2 3.43Å; H56-E59 HydrophobicContact CB-CB 4.4Å; H56-E59 WeakPolarHBondContact CB-OE2 3.26Å; H56-E59 IonicContact CG-OE2 3.91Å; H56-E59 IonicContact ND1-OE2 2.98Å; H56-E59 PolarHBondContact O-N 2.98Å; H56-I60 WeakPolarHBondContact O-CG1 3.38Å; H56-I60 PolarHBondContact O-N 2.92Å; H56-I101 HydrophobicContact CB-CD1 3.9Å; H56-I101 HydrophobicContact CB-CG1 4.01Å; H56-Y179 HydrophobicContact CB-CD2 3.63Å; H56-Y179 HydrophobicContact CB-CE2 3.77Å; H56-Y179 AromaticContact CG-CD2 3.7Å; H56-Y179 AromaticContact ND1-CD2 3.92Å
57E95.4Very high89.2Confident35 Ų3575.1 Ų75.116%0.16437%0.37CS..Hα-helixtrans-56.3-37.3-176.4-80.6159.4-125.300112.8S55 R61 F93 C97S55-E57 WeakPolarHBondContact CB-OE1 3.4Å; S55-E57 PolarHBondContact O-N 3.06Å; S55-E57 VanDerWaalsContact OG-CD 3.31Å; S55-E57 WeakPolarHBondContact OG-CG 3.4Å; S55-E57 PolarHBondContact OG-OE1 3.33Å; E57-R61 WeakPolarHBondContact O-CB 3.47Å; E57-R61 PolarHBondContact O-N 2.94Å; E57-F93 HydrophobicContact CB-CE1 4.12Å; E57-F93 HydrophobicContact CG-CD1 4.37Å; E57-F93 HydrophobicContact CG-CE1 4.05Å; E57-C97 HydrophobicContact CG-CB 3.91Å
58N96.4Very high90.9Very high102 Ų10276.5 Ų76.555%0.54538%0.378SS..Hα-helixtrans-68.9-39.4-178.3-70.6-30.2000112.1H56 K62H56-N58 PolarHBondContact O-N 3.01Å; N58-K62 WeakPolarHBondContact O-CG 3.02Å
59E97Very high92.6Very high78 Ų7876.3 Ų76.336%0.36437%0.366SS..Hα-helixtrans-72.1-43.4176.7-63.673.9-164.900110.9H56 R61 K62 N63 Y179H56-E59 VanDerWaalsContact C-OE2 3.31Å; H56-E59 VanDerWaalsContact CA-OE2 3.29Å; H56-E59 WeakPolarHBondContact CA-OE2 3.43Å; H56-E59 HydrophobicContact CB-CB 4.4Å; H56-E59 WeakPolarHBondContact CB-OE2 3.26Å; H56-E59 IonicContact CG-OE2 3.91Å; H56-E59 IonicContact ND1-OE2 2.98Å; H56-E59 PolarHBondContact O-N 2.98Å; E59-R61 PolarHBondContact O-N 3Å; E59-K62 PolarHBondContact O-N 3.07Å; E59-N63 PolarHBondContact O-N 3.37Å; E59-Y179 HydrophobicContact CB-CD1 3.72Å; E59-Y179 HydrophobicContact CB-CD2 3.78Å; E59-Y179 HydrophobicContact CB-CE1 3.59Å; E59-Y179 HydrophobicContact CB-CE2 3.63Å; E59-Y179 HydrophobicContact CB-CG 3.8Å; E59-Y179 HydrophobicContact CG-CD1 4.04Å; E59-Y179 HydrophobicContact CG-CD2 4.19Å; E59-Y179 HydrophobicContact CG-CE1 4.41Å; E59-Y179 HydrophobicContact CG-CG 3.91Å
60I96.7Very high93.6Very high0 Ų071.3 Ų71.30%034%0.343CS..Hα-helixtrans-63.5-42.1177.8-69176.3000111.1S55 H56 K62 N63 L66 F93 F96 C97 Q100 I101 Y179S55-I60 WeakPolarHBondContact O-CD1 3.26Å; H56-I60 WeakPolarHBondContact O-CG1 3.38Å; H56-I60 PolarHBondContact O-N 2.92Å; I60-K62 PolarHBondContact O-N 3.39Å; I60-K62 VanDerWaalsContact O-N 3.13Å; I60-N63 WeakPolarHBondContact O-CB 3.38Å; I60-N63 PolarHBondContact O-N 3.24Å; I60-L66 HydrophobicContact CG1-CD1 4.06Å; I60-L66 HydrophobicContact CG2-CB 4.13Å; I60-L66 HydrophobicContact CG2-CD1 4.38Å; I60-F93 HydrophobicContact CG2-CE2 4.12Å; I60-F93 HydrophobicContact CG2-CZ 4.1Å; I60-F96 HydrophobicContact CG2-CE1 4.04Å; I60-C97 HydrophobicContact CD1-CB 3.74Å; I60-Q100 HydrophobicContact CD1-CB 4.18Å; I60-I101 HydrophobicContact CD1-CD1 4.26Å; I60-I101 HydrophobicContact CD1-CG1 4.21Å; I60-Y179 HydrophobicContact CG1-CE2 3.98Å; I60-Y179 WeakPolarHBondContact CG1-OH 3.38Å
61R96Very high94.1Very high115 Ų11575.2 Ų75.243%0.43436%0.361SS..Hα-helixtrans-60.6-24.2177.9-168.4177.5-70.9132-5.9112.9E57 E59 E90 F93E57-R61 WeakPolarHBondContact O-CB 3.47Å; E57-R61 PolarHBondContact O-N 2.94Å; E59-R61 PolarHBondContact O-N 3Å; R61-E90 IonicContact NH2-OE1 3.6Å; R61-E90 PolarHBondContact NH2-OE1 3.02Å; R61-F93 HydrophobicContact CB-CZ 4.16Å
62K95.7Very high94.4Very high179 Ų17974.7 Ų74.778%0.77836%0.361SS*.Hα-helixtrans-91.1-11.3176.2-64.9172.3-173.3176.70113.1N58 E59 I60N58-K62 WeakPolarHBondContact O-CG 3.02Å; E59-K62 PolarHBondContact O-N 3.07Å; I60-K62 PolarHBondContact O-N 3.39Å; I60-K62 VanDerWaalsContact O-N 3.13Å
63N95Very high94.6Very high40 Ų4071.3 Ų71.321%0.21434%0.337CS..  trans-89.6109.6178.9-176.3-44.1000109.7E59 I60 D65 L66 M67E59-N63 PolarHBondContact O-N 3.37Å; I60-N63 WeakPolarHBondContact O-CB 3.38Å; I60-N63 PolarHBondContact O-N 3.24Å; N63-D65 PolarHBondContact O-N 2.89Å; N63-D65 PolarHBondContact OD1-N 2.95Å; N63-D65 VanDerWaalsContact OD1-N 3.16Å; N63-L66 HydrophobicContact CB-CB 4.16Å; N63-L66 HydrophobicContact CB-CD1 4.17Å; N63-L66 HydrophobicContact CB-CG 4.33Å; N63-L66 PolarHBondContact O-N 3.49Å; N63-L66 PolarHBondContact OD1-N 3.17Å; N63-M67 WeakPolarHBondContact O-CB 3.47Å; N63-M67 WeakPolarHBondContact O-CG 3.24Å; N63-M67 PolarHBondContact O-N 3.16Å
64F95.2Very high94.5Very high154 Ų15474 Ų7468%0.67535%0.346SS*.Hα-helixtrans-57.9-48.6-176.9-179.5-93.4000112.6L66 M67 E68F64-L66 PolarHBondContact O-N 3.13Å; F64-M67 PolarHBondContact O-N 2.74Å; F64-E68 PolarHBondContact O-N 3.36Å
65D94.2Very high94.4Very high114 Ų11471.9 Ų71.961%0.6134%0.341SS*.Hα-helixtrans-64.3-40.2-176.2-58.2-24.3000111.8N63 K69N63-D65 PolarHBondContact O-N 2.89Å; N63-D65 PolarHBondContact OD1-N 2.95Å; N63-D65 VanDerWaalsContact OD1-N 3.16Å; D65-K69 WeakPolarHBondContact O-CB 3.44Å; D65-K69 PolarHBondContact O-N 2.85Å
66L94.7Very high94.2Very high25 Ų2571.9 Ų71.913%0.13134%0.34CS..Hα-helixtrans-70.8-34.8176.8-68.5-179.4000112.2I60 N63 F64 K69 Y70 F96 Q100I60-L66 HydrophobicContact CG1-CD1 4.06Å; I60-L66 HydrophobicContact CG2-CB 4.13Å; I60-L66 HydrophobicContact CG2-CD1 4.38Å; N63-L66 HydrophobicContact CB-CB 4.16Å; N63-L66 HydrophobicContact CB-CD1 4.17Å; N63-L66 HydrophobicContact CB-CG 4.33Å; N63-L66 PolarHBondContact O-N 3.49Å; N63-L66 PolarHBondContact OD1-N 3.17Å; F64-L66 PolarHBondContact O-N 3.13Å; L66-K69 PolarHBondContact O-N 2.95Å; L66-Y70 WeakPolarHBondContact O-CB 3.18Å; L66-Y70 PolarHBondContact O-N 3.38Å; L66-F96 WeakPolarHBondContact O-CZ 3.05Å; L66-Q100 HydrophobicContact CD2-CG 4.45Å
67M96.8Very high93.8Very high34 Ų3469.2 Ų69.217%0.16733%0.328CS..Hα-helixtrans-68.4-41174.8-76.6-58.2-58.400112N63 F64 K69 Y70 H71 F93N63-M67 WeakPolarHBondContact O-CB 3.47Å; N63-M67 WeakPolarHBondContact O-CG 3.24Å; N63-M67 PolarHBondContact O-N 3.16Å; F64-M67 PolarHBondContact O-N 2.74Å; M67-K69 PolarHBondContact O-N 3.46Å; M67-Y70 HydrophobicContact CE-CD1 3.99Å; M67-Y70 WeakPolarHBondContact O-CB 3.35Å; M67-Y70 PolarHBondContact O-N 3.27Å; M67-H71 PolarHBondContact O-CD2 3.48Å; M67-H71 PolarHBondContact O-N 3.5Å; M67-F93 HydrophobicContact CE-CE2 4.38Å; M67-F93 HydrophobicContact SD-CE2 3.54Å; M67-F93 VanDerWaalsContact SD-CE2 3.54Å; M67-F93 HydrophobicContact SD-CZ 3.98Å
68E96.3Very high93.3Very high111 Ų11173.5 Ų73.552%0.51934%0.343SS..Hα-helixtrans-58.3-49.2172.5-173.8178.8-168.400110.6F64 Y70 H71 T72F64-E68 PolarHBondContact O-N 3.36Å; E68-Y70 VanDerWaalsContact C-N 3.31Å; E68-Y70 PolarHBondContact O-N 2.81Å; E68-H71 PolarHBondContact O-N 3.46Å; E68-H71 VanDerWaalsContact O-N 3.13Å; E68-T72 PolarHBondContact O-N 2.48Å; E68-T72 PolarHBondContact O-OG1 2.78Å; E68-T72 VanDerWaalsContact O-OG1 3.12Å
69K94.2Very high92.6Very high90 Ų9072.8 Ų72.839%0.39134%0.339SS..Hα-helixtrans-57.2-42.2175.1-175-177.5-177.8-175.40112.4D65 L66 M67 I73 F96D65-K69 WeakPolarHBondContact O-CB 3.44Å; D65-K69 PolarHBondContact O-N 2.85Å; L66-K69 PolarHBondContact O-N 2.95Å; M67-K69 PolarHBondContact O-N 3.46Å; K69-I73 HydrophobicContact CG-CD1 4.12Å; K69-I73 WeakPolarHBondContact O-CB 3.21Å; K69-I73 VanDerWaalsContact O-CG1 3.31Å; K69-I73 WeakPolarHBondContact O-CG1 3.46Å; K69-I73 PolarHBondContact O-N 2.95Å; K69-F96 HydrophobicContact CD-CE2 4.38Å; K69-F96 HydrophobicContact CD-CZ 4.4Å; K69-F96 HydrophobicContact CG-CE2 4.28Å; K69-F96 HydrophobicContact CG-CZ 4.44Å
70Y95.5Very high91.9Very high4 Ų469.2 Ų69.22%0.01632%0.322CS..Hα-helixtrans-61.2-47.5175.2167-106.7000111.5L66 M67 E68 T72 I73 R74 E89 I92 F93 F96L66-Y70 WeakPolarHBondContact O-CB 3.18Å; L66-Y70 PolarHBondContact O-N 3.38Å; M67-Y70 HydrophobicContact CE-CD1 3.99Å; M67-Y70 WeakPolarHBondContact O-CB 3.35Å; M67-Y70 PolarHBondContact O-N 3.27Å; E68-Y70 VanDerWaalsContact C-N 3.31Å; E68-Y70 PolarHBondContact O-N 2.81Å; Y70-T72 PolarHBondContact O-N 2.73Å; Y70-I73 PolarHBondContact O-N 3.34Å; Y70-R74 WeakPolarHBondContact O-CB 3.27Å; Y70-R74 PolarHBondContact O-N 3.48Å; Y70-E89 PolarHBondContact OH-O 3.05Å; Y70-I92 HydrophobicContact CE2-CG2 4.14Å; Y70-F93 AromaticContact CD1-CD2 3.95Å; Y70-F93 HydrophobicContact CD1-CD2 3.95Å; Y70-F93 HydrophobicContact CD1-CE2 4.42Å; Y70-F93 AromaticContact CD2-CD2 3.83Å; Y70-F93 HydrophobicContact CD2-CD2 3.83Å; Y70-F93 AromaticContact CE1-CD2 3.9Å; Y70-F93 HydrophobicContact CE1-CD2 3.9Å; Y70-F93 HydrophobicContact CE2-CB 3.84Å; Y70-F93 AromaticContact CE2-CD2 3.77Å; Y70-F93 HydrophobicContact CE2-CD2 3.77Å; Y70-F93 HydrophobicContact CE2-CG 4.31Å; Y70-F93 AromaticContact CG-CD2 3.92Å; Y70-F93 HydrophobicContact CG-CD2 3.92Å; Y70-F93 HydrophobicContact CG-CE2 4.38Å; Y70-F93 AromaticContact CZ-CD2 3.81Å; Y70-F96 HydrophobicContact CD2-CB 3.9Å; Y70-F96 AromaticContact CD2-CD1 3.92Å; Y70-F96 HydrophobicContact CD2-CD1 3.92Å; Y70-F96 HydrophobicContact CD2-CD2 4.34Å; Y70-F96 AromaticContact CD2-CG 3.78Å; Y70-F96 HydrophobicContact CD2-CG 3.78Å; Y70-F96 HydrophobicContact CE2-CB 4.38Å; Y70-F96 HydrophobicContact CG-CD1 4.27Å; Y70-F96 HydrophobicContact CG-CG 4.48Å
71H94Very high91.1Very high88 Ų8870.3 Ų70.341%0.40733%0.328SS..Hα-helixtrans-60.8-44.2178.7-71-54.5000111.7M67 E68 I73 R74 L75M67-H71 PolarHBondContact O-CD2 3.48Å; M67-H71 PolarHBondContact O-N 3.5Å; E68-H71 PolarHBondContact O-N 3.46Å; E68-H71 VanDerWaalsContact O-N 3.13Å; H71-I73 PolarHBondContact O-N 3.23Å; H71-R74 PolarHBondContact O-N 2.71Å; H71-L75 WeakPolarHBondContact O-CG 3.46Å; H71-L75 PolarHBondContact O-N 3.06Å
72T92.5Very high90.2Very high76 Ų7666.8 Ų66.847%0.46633%0.328SS..Hα-helixtrans-59.8-45.4174.8-52.40000112E68 Y70 R74 L75 T76E68-T72 PolarHBondContact O-N 2.48Å; E68-T72 PolarHBondContact O-OG1 2.78Å; E68-T72 VanDerWaalsContact O-OG1 3.12Å; Y70-T72 PolarHBondContact O-N 2.73Å; T72-R74 VanDerWaalsContact C-N 3.33Å; T72-R74 PolarHBondContact O-N 2.6Å; T72-L75 PolarHBondContact O-N 2.93Å; T72-T76 WeakPolarHBondContact O-CB 3.43Å; T72-T76 PolarHBondContact O-N 2.96Å; T72-T76 PolarHBondContact O-OG1 3.19Å
73I91.8Very high88.9Confident3 Ų359.4 Ų59.42%0.01530%0.303CS..Hα-helixtrans-61.7-43.5177.7-77.7171.2000110.6P33 V34 I37 K69 Y70 H71 T76 L77 F96P33-I73 HydrophobicContact CB-CD1 3.9Å; V34-I73 HydrophobicContact CG2-CB 4.35Å; V34-I73 HydrophobicContact CG2-CG1 4.2Å; V34-I73 HydrophobicContact CG2-CG2 4.08Å; I37-I73 HydrophobicContact CD1-CG2 3.48Å; I37-I73 VanDerWaalsContact CD1-CG2 3.48Å; K69-I73 HydrophobicContact CG-CD1 4.12Å; K69-I73 WeakPolarHBondContact O-CB 3.21Å; K69-I73 VanDerWaalsContact O-CG1 3.31Å; K69-I73 WeakPolarHBondContact O-CG1 3.46Å; K69-I73 PolarHBondContact O-N 2.95Å; Y70-I73 PolarHBondContact O-N 3.34Å; H71-I73 PolarHBondContact O-N 3.23Å; I73-T76 PolarHBondContact O-N 3.22Å; I73-L77 HydrophobicContact CG2-CD1 3.8Å; I73-L77 HydrophobicContact CG2-CG 4.38Å; I73-L77 WeakPolarHBondContact O-CB 3.16Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.41Å; I73-L77 PolarHBondContact O-N 3.04Å; I73-F96 HydrophobicContact CD1-CD2 3.92Å; I73-F96 HydrophobicContact CD1-CE2 3.72Å
74R90Very high87.8Confident70 Ų7063.7 Ų63.726%0.26432%0.321SS..Hα-helixtrans-64.4-46.8179.9-175.6-169.2170.7171.44.9112.1Y70 H71 T72 T76 L77 W78 E89Y70-R74 WeakPolarHBondContact O-CB 3.27Å; Y70-R74 PolarHBondContact O-N 3.48Å; H71-R74 PolarHBondContact O-N 2.71Å; T72-R74 VanDerWaalsContact C-N 3.33Å; T72-R74 PolarHBondContact O-N 2.6Å; R74-T76 VanDerWaalsContact C-N 3.27Å; R74-T76 PolarHBondContact O-N 3.28Å; R74-L77 WeakPolarHBondContact O-CB 3.48Å; R74-L77 PolarHBondContact O-N 2.79Å; R74-W78 WeakPolarHBondContact O-CB 3.39Å; R74-W78 PolarHBondContact O-N 3.47Å; R74-E89 IonicContact CZ-OE1 3.73Å; R74-E89 IonicContact CZ-OE2 3.92Å; R74-E89 VanDerWaalsContact NH1-CG 3.32Å; R74-E89 IonicContact NH1-OE1 3.64Å; R74-E89 PolarHBondContact NH1-OE1 2.78Å; R74-E89 IonicContact NH1-OE2 3.2Å; R74-E89 PolarHBondContact NH1-OE2 2.99Å; R74-E89 VanDerWaalsContact NH2-CD 3.34Å; R74-E89 IonicContact NH2-OE1 2.65Å; R74-E89 IonicContact NH2-OE2 2.93Å; R74-E89 PolarHBondContact NH2-OE2 3.21Å
75L88.4Confident86.1Confident111 Ų11158.1 Ų58.158%0.58130%0.3SS*.Hα-helixtrans-59.5-43.3176-70.2172.7000110.4H71 T72 L77 W78 D79H71-L75 WeakPolarHBondContact O-CG 3.46Å; H71-L75 PolarHBondContact O-N 3.06Å; T72-L75 PolarHBondContact O-N 2.93Å; L75-L77 VanDerWaalsContact C-N 3.33Å; L75-L77 PolarHBondContact O-N 2.98Å; L75-W78 PolarHBondContact O-N 3.48Å; L75-D79 VanDerWaalsContact O-CG 3.27Å; L75-D79 PolarHBondContact O-N 2.88Å
76T87.8Confident84.9Confident22 Ų2260.8 Ų60.814%0.13531%0.306CS..Hα-helixtrans-62.8-39.4176.4-53.30000112.3P30 V34 T72 I73 R74 F80P30-T76 HydrophobicContact CB-CG2 4.42Å; V34-T76 HydrophobicContact CG1-CG2 4.23Å; V34-T76 HydrophobicContact CG2-CG2 3.89Å; T72-T76 WeakPolarHBondContact O-CB 3.43Å; T72-T76 PolarHBondContact O-N 2.96Å; T72-T76 PolarHBondContact O-OG1 3.19Å; I73-T76 PolarHBondContact O-N 3.22Å; R74-T76 VanDerWaalsContact C-N 3.27Å; R74-T76 PolarHBondContact O-N 3.28Å; T76-F80 WeakPolarHBondContact O-CB 3.16Å; T76-F80 PolarHBondContact O-N 3.14Å
77L86.6Confident83.8Confident2 Ų260.4 Ų60.41%0.0131%0.307CS..Hα-helixtrans-63.8-46.2174.7-78165.9000111.5V34 I37 L38 I73 R74 L75 F80 L81 I92V34-L77 HydrophobicContact CG1-CD2 3.59Å; V34-L77 HydrophobicContact CG1-CG 3.9Å; I37-L77 HydrophobicContact CB-CD1 4.31Å; I37-L77 HydrophobicContact CD1-CD1 4.28Å; I37-L77 HydrophobicContact CG2-CD1 3.75Å; I37-L77 HydrophobicContact CG2-CD2 4.29Å; L38-L77 HydrophobicContact CD1-CD2 4.15Å; L38-L77 HydrophobicContact CD2-CD2 3.46Å; L38-L77 VanDerWaalsContact CD2-CD2 3.46Å; L38-L77 HydrophobicContact CG-CD2 3.43Å; L38-L77 VanDerWaalsContact CG-CD2 3.43Å; I73-L77 HydrophobicContact CG2-CD1 3.8Å; I73-L77 HydrophobicContact CG2-CG 4.38Å; I73-L77 WeakPolarHBondContact O-CB 3.16Å; I73-L77 VanDerWaalsContact O-CG 3.28Å; I73-L77 WeakPolarHBondContact O-CG 3.41Å; I73-L77 PolarHBondContact O-N 3.04Å; R74-L77 WeakPolarHBondContact O-CB 3.48Å; R74-L77 PolarHBondContact O-N 2.79Å; L75-L77 VanDerWaalsContact C-N 3.33Å; L75-L77 PolarHBondContact O-N 2.98Å; L77-F80 PolarHBondContact O-N 3.16Å; L77-L81 WeakPolarHBondContact O-CB 3.3Å; L77-L81 WeakPolarHBondContact O-CG 3.5Å; L77-L81 PolarHBondContact O-N 3.35Å; L77-I92 HydrophobicContact CD1-CG2 3.87Å
78W84.3Confident83.1Confident125 Ų12563.6 Ų63.647%0.47333%0.325SS..Hα-helixtrans-60.1-50.6179.7-178.5-89.6000111.4R74 L75 F80 L81 G82 G83 V85R74-W78 WeakPolarHBondContact O-CB 3.39Å; R74-W78 PolarHBondContact O-N 3.47Å; L75-W78 PolarHBondContact O-N 3.48Å; W78-F80 VanDerWaalsContact C-N 3.33Å; W78-F80 PolarHBondContact O-N 3.47Å; W78-L81 PolarHBondContact O-N 3.39Å; W78-G82 PolarHBondContact O-N 3.26Å; W78-G82 VanDerWaalsContact O-N 3.08Å; W78-G83 VanDerWaalsContact CE2-CA 3.48Å; W78-G83 WeakPolarHBondContact CH2-O 3.23Å; W78-G83 WeakPolarHBondContact CZ3-O 3.31Å; W78-G83 PolarHBondContact O-N 3.21Å; W78-V85 HydrophobicContact CB-CG2 4.48Å; W78-V85 HydrophobicContact CD2-CG2 4.18Å; W78-V85 HydrophobicContact CE3-CB 4.24Å; W78-V85 HydrophobicContact CE3-CG2 3.33Å; W78-V85 HydrophobicContact CZ3-CB 4.29Å; W78-V85 HydrophobicContact CZ3-CG2 3.83Å
79D82.6Confident82.5Confident88 Ų8862.9 Ų62.947%0.47132%0.321SS..Hα-helixtrans-61.3-42.5177.8-68.1-13.1000111.7R28 L75 L81 G82R28-D79 IonicContact NH2-OD2 2.96Å; L75-D79 VanDerWaalsContact O-CG 3.27Å; L75-D79 PolarHBondContact O-N 2.88Å; D79-L81 VanDerWaalsContact C-N 3.34Å; D79-L81 PolarHBondContact O-N 3.24Å; D79-G82 PolarHBondContact O-N 3.4Å
80F81.6Confident82.3Confident2 Ų262.3 Ų62.31%0.00932%0.32CS..Hα-helixtrans-67.3-34.8-179.4-176.9-101.4000112.8Q22 Y23 C26 P30 L38 T76 L77 W78 G82Q22-F80 HydrophobicContact CB-CD1 4.22Å; Q22-F80 HydrophobicContact CB-CD2 4.46Å; Q22-F80 HydrophobicContact CB-CE1 3.62Å; Q22-F80 HydrophobicContact CB-CE2 3.88Å; Q22-F80 HydrophobicContact CB-CZ 3.42Å; Q22-F80 VanDerWaalsContact CB-CZ 3.42Å; Q22-F80 WeakPolarHBondContact CB-O 3.42Å; Q22-F80 HydrophobicContact CG-CE1 4.35Å; Q22-F80 PolarHBondContact OE1-O 3.29Å; Y23-F80 AromaticContact CD1-CE2 3.38Å; Y23-F80 HydrophobicContact CD1-CE2 3.38Å; Y23-F80 AromaticContact CD1-CZ 3.3Å; Y23-F80 HydrophobicContact CD1-CZ 3.3Å; Y23-F80 HydrophobicContact CE1-CE1 4.22Å; Y23-F80 AromaticContact CE1-CE2 3.63Å; Y23-F80 HydrophobicContact CE1-CE2 3.63Å; Y23-F80 AromaticContact CE1-CZ 3.26Å; Y23-F80 HydrophobicContact CE1-CZ 3.26Å; Y23-F80 HydrophobicContact CG-CE2 4.3Å; Y23-F80 HydrophobicContact CG-CZ 4.04Å; C26-F80 HydrophobicContact CB-CD2 4.16Å; C26-F80 HydrophobicContact CB-CE2 4.44Å; P30-F80 HydrophobicContact CG-CB 4.34Å; P30-F80 HydrophobicContact CG-CD1 4.24Å; P30-F80 HydrophobicContact CG-CD2 3.36Å; P30-F80 HydrophobicContact CG-CE1 4.45Å; P30-F80 HydrophobicContact CG-CE2 3.63Å; P30-F80 HydrophobicContact CG-CG 3.7Å; P30-F80 HydrophobicContact CG-CZ 4.17Å; L38-F80 HydrophobicContact CD1-CD1 3.46Å; L38-F80 VanDerWaalsContact CD1-CD1 3.46Å; L38-F80 HydrophobicContact CD1-CE1 3.57Å; L38-F80 HydrophobicContact CD1-CG 4.45Å; L38-F80 HydrophobicContact CD2-CD1 4.48Å; T76-F80 WeakPolarHBondContact O-CB 3.16Å; T76-F80 PolarHBondContact O-N 3.14Å; L77-F80 PolarHBondContact O-N 3.16Å; W78-F80 VanDerWaalsContact C-N 3.33Å; W78-F80 PolarHBondContact O-N 3.47Å; F80-G82 VanDerWaalsContact C-N 3.27Å
81L79.8Confident82Confident23 Ų2363.3 Ų63.312%0.1233%0.326CS..Hα-helixtrans-84.7-2176.5-66.7175.8000112.9Q22 L38 L77 W78 D79 G83 E84 V85Q22-L81 PolarHBondContact NE2-O 3.35Å; L38-L81 HydrophobicContact CD2-CD1 3.81Å; L38-L81 HydrophobicContact CD2-CD2 3.86Å; L38-L81 HydrophobicContact CD2-CG 3.96Å; L77-L81 WeakPolarHBondContact O-CB 3.3Å; L77-L81 WeakPolarHBondContact O-CG 3.5Å; L77-L81 PolarHBondContact O-N 3.35Å; W78-L81 PolarHBondContact O-N 3.39Å; D79-L81 VanDerWaalsContact C-N 3.34Å; D79-L81 PolarHBondContact O-N 3.24Å; L81-G83 VanDerWaalsContact C-N 3.29Å; L81-G83 PolarHBondContact O-N 2.98Å; L81-E84 PolarHBondContact O-N 2.9Å; L81-V85 HydrophobicContact CD1-CB 4.46Å; L81-V85 HydrophobicContact CD1-CG1 4.37Å; L81-V85 HydrophobicContact CD1-CG2 4.12Å
82G76.5Confident81.8Confident42 Ų4259.3 Ų59.343%0.43331%0.308SS..THydrogen-bonded Turntrans66.330.3-179.300000113.4W78 D79 F80 E84W78-G82 PolarHBondContact O-N 3.26Å; W78-G82 VanDerWaalsContact O-N 3.08Å; D79-G82 PolarHBondContact O-N 3.4Å; F80-G82 VanDerWaalsContact C-N 3.27Å; G82-E84 VanDerWaalsContact C-N 3.34Å
83G70.5Confident81.9Confident24 Ų2455.9 Ų55.925%0.24729%0.287CS..THydrogen-bonded Turntrans86-7.9-177.700000115.7W78 L81 V85W78-G83 VanDerWaalsContact CE2-CA 3.48Å; W78-G83 WeakPolarHBondContact CH2-O 3.23Å; W78-G83 WeakPolarHBondContact CZ3-O 3.31Å; W78-G83 PolarHBondContact O-N 3.21Å; L81-G83 VanDerWaalsContact C-N 3.29Å; L81-G83 PolarHBondContact O-N 2.98Å; G83-V85 PolarHBondContact O-N 3.25Å
84E69.9Low82Confident130 Ų13059 Ų5961%0.60730%0.301SS*.  trans-92.476.6176.7-67.2-174.1176.500111.2L81 G82 F86L81-E84 PolarHBondContact O-N 2.9Å; G82-E84 VanDerWaalsContact C-N 3.34Å; E84-F86 HydrophobicContact CB-CZ 4.49Å; E84-F86 PolarHBondContact O-N 3.32Å
85V61Low82.1Confident36 Ų3656.1 Ų56.122%0.21829%0.291CS..  trans-85.8107.4174.9-172.10000109.9W78 L81 G83 A87 I92W78-V85 HydrophobicContact CB-CG2 4.48Å; W78-V85 HydrophobicContact CD2-CG2 4.18Å; W78-V85 HydrophobicContact CE3-CB 4.24Å; W78-V85 HydrophobicContact CE3-CG2 3.33Å; W78-V85 HydrophobicContact CZ3-CB 4.29Å; W78-V85 HydrophobicContact CZ3-CG2 3.83Å; L81-V85 HydrophobicContact CD1-CB 4.46Å; L81-V85 HydrophobicContact CD1-CG1 4.37Å; L81-V85 HydrophobicContact CD1-CG2 4.12Å; G83-V85 PolarHBondContact O-N 3.25Å; V85-A87 VanDerWaalsContact CG1-O 3.31Å; V85-A87 WeakPolarHBondContact CG1-O 3.37Å; V85-A87 PolarHBondContact O-N 3.39Å; V85-I92 HydrophobicContact CG1-CD1 3.39Å
86F67.5Low82.4Confident171 Ų17150.9 Ų50.975%0.7526%0.263SS*.SBendtrans-68.50.3-179.8-59-78.8000115.1E84E84-F86 HydrophobicContact CB-CZ 4.49Å; E84-F86 PolarHBondContact O-N 3.32Å
87A72Confident82.8Confident17 Ų1749.9 Ų49.914%0.1426%0.257CS..SBendtrans-127.3141.2179.600000109.9I41 V85 T91 I92I41-A87 HydrophobicContact CD1-CB 4.22Å; I41-A87 HydrophobicContact CG1-CB 4.46Å; I41-A87 HydrophobicContact CG2-CB 4.15Å; V85-A87 VanDerWaalsContact CG1-O 3.31Å; V85-A87 WeakPolarHBondContact CG1-O 3.37Å; V85-A87 PolarHBondContact O-N 3.39Å; A87-T91 HydrophobicContact CB-CG2 4.26Å; A87-I92 HydrophobicContact CB-CD1 4.37Å; A87-I92 HydrophobicContact CB-CG1 4.04Å
88N81.6Confident83.3Confident101 Ų10150.5 Ų50.554%0.5426%0.26SS..  trans-66.9159.2174.369.99.6000111E90 T91 I92N88-E90 VanDerWaalsContact C-N 3.26Å; N88-E90 PolarHBondContact O-N 3.32Å; N88-T91 PolarHBondContact O-N 3.11Å; N88-T91 VanDerWaalsContact O-N 3.15Å; N88-T91 WeakPolarHBondContact OD1-CB 3.12Å; N88-T91 PolarHBondContact OD1-N 2.95Å; N88-T91 PolarHBondContact OD1-OG1 3.22Å; N88-I92 PolarHBondContact O-N 3.13Å
89E85.4Confident83.8Confident96 Ų9645 Ų4545%0.44924%0.24SC..Hα-helixtrans-51.9-44.9-179.5172.8171.6-178.100112.9Y70 R74 T91 I92 F93Y70-E89 PolarHBondContact OH-O 3.05Å; R74-E89 IonicContact CZ-OE1 3.73Å; R74-E89 IonicContact CZ-OE2 3.92Å; R74-E89 VanDerWaalsContact NH1-CG 3.32Å; R74-E89 IonicContact NH1-OE1 3.64Å; R74-E89 PolarHBondContact NH1-OE1 2.78Å; R74-E89 IonicContact NH1-OE2 3.2Å; R74-E89 PolarHBondContact NH1-OE2 2.99Å; R74-E89 VanDerWaalsContact NH2-CD 3.34Å; R74-E89 IonicContact NH2-OE1 2.65Å; R74-E89 IonicContact NH2-OE2 2.93Å; R74-E89 PolarHBondContact NH2-OE2 3.21Å; E89-T91 PolarHBondContact O-N 2.9Å; E89-I92 PolarHBondContact O-N 3.44Å; E89-F93 PolarHBondContact O-N 3.35Å
90E89.2Confident84.4Confident77 Ų7742.9 Ų42.936%0.3623%0.227SC..Hα-helixtrans-63.6-41.4-179.2-163.962.4-154.200111.7R61 N88 I92 F93 Q94R61-E90 IonicContact NH2-OE1 3.6Å; R61-E90 PolarHBondContact NH2-OE1 3.02Å; N88-E90 VanDerWaalsContact C-N 3.26Å; N88-E90 PolarHBondContact O-N 3.32Å; E90-I92 VanDerWaalsContact C-N 3.3Å; E90-I92 PolarHBondContact O-N 3.21Å; E90-F93 WeakPolarHBondContact O-CB 3.21Å; E90-F93 PolarHBondContact O-N 3.06Å; E90-Q94 WeakPolarHBondContact O-CB 3.43Å; E90-Q94 VanDerWaalsContact O-CG 3.26Å; E90-Q94 WeakPolarHBondContact O-CG 3.23Å; E90-Q94 PolarHBondContact O-N 2.8Å
91T88.6Confident85.1Confident25 Ų2543.5 Ų43.515%0.15323%0.23CC..Hα-helixtrans-61.5-41.3176.3-630000110.9A87 N88 E89 F93 Q94 I95A87-T91 HydrophobicContact CB-CG2 4.26Å; N88-T91 PolarHBondContact O-N 3.11Å; N88-T91 VanDerWaalsContact O-N 3.15Å; N88-T91 WeakPolarHBondContact OD1-CB 3.12Å; N88-T91 PolarHBondContact OD1-N 2.95Å; N88-T91 PolarHBondContact OD1-OG1 3.22Å; E89-T91 PolarHBondContact O-N 2.9Å; T91-F93 VanDerWaalsContact C-N 3.34Å; T91-Q94 PolarHBondContact O-N 2.7Å; T91-I95 HydrophobicContact CG2-CD1 3.92Å; T91-I95 VanDerWaalsContact O-CG1 3.25Å; T91-I95 WeakPolarHBondContact O-CG1 3.41Å; T91-I95 PolarHBondContact O-N 3.08Å
92I90.3Very high85.8Confident4 Ų443.1 Ų43.12%0.02123%0.228CC..Hα-helixtrans-67-40.7178.6-62.4176.4000110.2I37 I41 Y70 L77 V85 A87 N88 E89 E90 I95 F96I37-I92 HydrophobicContact CG2-CG2 4.31Å; I41-I92 HydrophobicContact CD1-CD1 4.49Å; I41-I92 HydrophobicContact CD1-CG1 4.06Å; Y70-I92 HydrophobicContact CE2-CG2 4.14Å; L77-I92 HydrophobicContact CD1-CG2 3.87Å; V85-I92 HydrophobicContact CG1-CD1 3.39Å; A87-I92 HydrophobicContact CB-CD1 4.37Å; A87-I92 HydrophobicContact CB-CG1 4.04Å; N88-I92 PolarHBondContact O-N 3.13Å; E89-I92 PolarHBondContact O-N 3.44Å; E90-I92 VanDerWaalsContact C-N 3.3Å; E90-I92 PolarHBondContact O-N 3.21Å; I92-I95 PolarHBondContact O-N 3.34Å; I92-F96 WeakPolarHBondContact O-CB 3.31Å; I92-F96 PolarHBondContact O-N 2.77Å
93F94.1Very high86.7Confident5 Ų542 Ų422%0.02222%0.217CC..Hα-helixtrans-62.1-46.5175.8-175.6-115.2000111.7E57 I60 R61 M67 Y70 E89 E90 T91 I95 F96 C97E57-F93 HydrophobicContact CB-CE1 4.12Å; E57-F93 HydrophobicContact CG-CD1 4.37Å; E57-F93 HydrophobicContact CG-CE1 4.05Å; I60-F93 HydrophobicContact CG2-CE2 4.12Å; I60-F93 HydrophobicContact CG2-CZ 4.1Å; R61-F93 HydrophobicContact CB-CZ 4.16Å; M67-F93 HydrophobicContact CE-CE2 4.38Å; M67-F93 HydrophobicContact SD-CE2 3.54Å; M67-F93 VanDerWaalsContact SD-CE2 3.54Å; M67-F93 HydrophobicContact SD-CZ 3.98Å; Y70-F93 AromaticContact CD1-CD2 3.95Å; Y70-F93 HydrophobicContact CD1-CD2 3.95Å; Y70-F93 HydrophobicContact CD1-CE2 4.42Å; Y70-F93 AromaticContact CD2-CD2 3.83Å; Y70-F93 HydrophobicContact CD2-CD2 3.83Å; Y70-F93 AromaticContact CE1-CD2 3.9Å; Y70-F93 HydrophobicContact CE1-CD2 3.9Å; Y70-F93 HydrophobicContact CE2-CB 3.84Å; Y70-F93 AromaticContact CE2-CD2 3.77Å; Y70-F93 HydrophobicContact CE2-CD2 3.77Å; Y70-F93 HydrophobicContact CE2-CG 4.31Å; Y70-F93 AromaticContact CG-CD2 3.92Å; Y70-F93 HydrophobicContact CG-CD2 3.92Å; Y70-F93 HydrophobicContact CG-CE2 4.38Å; Y70-F93 AromaticContact CZ-CD2 3.81Å; E89-F93 PolarHBondContact O-N 3.35Å; E90-F93 WeakPolarHBondContact O-CB 3.21Å; E90-F93 PolarHBondContact O-N 3.06Å; T91-F93 VanDerWaalsContact C-N 3.34Å; F93-I95 VanDerWaalsContact C-N 3.34Å; F93-I95 PolarHBondContact O-N 3.27Å; F93-F96 HydrophobicContact CD2-CD1 4.49Å; F93-F96 WeakPolarHBondContact O-CB 3.36Å; F93-F96 PolarHBondContact O-N 3.42Å; F93-C97 WeakPolarHBondContact CZ-SG 3.17Å; F93-C97 WeakPolarHBondContact O-CB 3.28Å; F93-C97 PolarHBondContact O-N 3.14Å; F93-C97 PolarHBondContact O-SG 3.44Å
94Q93.6Very high87.7Confident67 Ų6741.6 Ų41.631%0.31321%0.208SC..Hα-helixtrans-58.3-44.4175.6-72.6178.8-13.200112.2E90 T91 C97 K98E90-Q94 WeakPolarHBondContact O-CB 3.43Å; E90-Q94 VanDerWaalsContact O-CG 3.26Å; E90-Q94 WeakPolarHBondContact O-CG 3.23Å; E90-Q94 PolarHBondContact O-N 2.8Å; T91-Q94 PolarHBondContact O-N 2.7Å; Q94-C97 PolarHBondContact O-N 3.3Å; Q94-K98 VanDerWaalsContact O-CG 3.27Å; Q94-K98 WeakPolarHBondContact O-CG 3.2Å; Q94-K98 PolarHBondContact O-N 3.49Å
95I93Very high88.5Confident11 Ų1139.3 Ų39.36%0.05620%0.198CC..Hα-helixtrans-63.8-45.5176.1-67.7165.2000110.5I37 I40 I41 T91 I92 F93 C97 K98 I99I37-I95 HydrophobicContact CG1-CG2 4.13Å; I37-I95 HydrophobicContact CG2-CG2 4.34Å; I40-I95 HydrophobicContact CB-CG2 4.23Å; I40-I95 HydrophobicContact CD1-CG2 3.88Å; I40-I95 HydrophobicContact CG2-CD1 3.91Å; I40-I95 HydrophobicContact CG2-CG1 4.1Å; I40-I95 HydrophobicContact CG2-CG2 3.93Å; I41-I95 HydrophobicContact CG1-CD1 3.7Å; T91-I95 HydrophobicContact CG2-CD1 3.92Å; T91-I95 VanDerWaalsContact O-CG1 3.25Å; T91-I95 WeakPolarHBondContact O-CG1 3.41Å; T91-I95 PolarHBondContact O-N 3.08Å; I92-I95 PolarHBondContact O-N 3.34Å; F93-I95 VanDerWaalsContact C-N 3.34Å; F93-I95 PolarHBondContact O-N 3.27Å; I95-C97 VanDerWaalsContact C-N 3.32Å; I95-C97 PolarHBondContact O-N 3.48Å; I95-K98 PolarHBondContact O-N 3.17Å; I95-I99 HydrophobicContact CG2-CD1 3.8Å; I95-I99 HydrophobicContact CG2-CG1 4.41Å; I95-I99 VanDerWaalsContact O-CG1 3.29Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 2.97Å
96F95Very high89.6Confident1 Ų139.4 Ų39.40%0.00420%0.197CC..Hα-helixtrans-56.6-48.1176.9168.4-95.6000111.2I37 I60 L66 K69 Y70 I73 I92 F93 K98 I99 Q100I37-F96 HydrophobicContact CD1-CB 4.42Å; I60-F96 HydrophobicContact CG2-CE1 4.04Å; L66-F96 WeakPolarHBondContact O-CZ 3.05Å; K69-F96 HydrophobicContact CD-CE2 4.38Å; K69-F96 HydrophobicContact CD-CZ 4.4Å; K69-F96 HydrophobicContact CG-CE2 4.28Å; K69-F96 HydrophobicContact CG-CZ 4.44Å; Y70-F96 HydrophobicContact CD2-CB 3.9Å; Y70-F96 AromaticContact CD2-CD1 3.92Å; Y70-F96 HydrophobicContact CD2-CD1 3.92Å; Y70-F96 HydrophobicContact CD2-CD2 4.34Å; Y70-F96 AromaticContact CD2-CG 3.78Å; Y70-F96 HydrophobicContact CD2-CG 3.78Å; Y70-F96 HydrophobicContact CE2-CB 4.38Å; Y70-F96 HydrophobicContact CG-CD1 4.27Å; Y70-F96 HydrophobicContact CG-CG 4.48Å; I73-F96 HydrophobicContact CD1-CD2 3.92Å; I73-F96 HydrophobicContact CD1-CE2 3.72Å; I92-F96 WeakPolarHBondContact O-CB 3.31Å; I92-F96 PolarHBondContact O-N 2.77Å; F93-F96 HydrophobicContact CD2-CD1 4.49Å; F93-F96 WeakPolarHBondContact O-CB 3.36Å; F93-F96 PolarHBondContact O-N 3.42Å; F96-K98 PolarHBondContact O-N 2.82Å; F96-I99 PolarHBondContact O-N 2.61Å; F96-Q100 HydrophobicContact CD1-CG 4.28Å; F96-Q100 HydrophobicContact CD2-CG 4.48Å; F96-Q100 HydrophobicContact CE1-CG 3.78Å; F96-Q100 HydrophobicContact CE2-CG 4Å; F96-Q100 HydrophobicContact CZ-CG 3.63Å; F96-Q100 WeakPolarHBondContact O-CG 3.44Å; F96-Q100 PolarHBondContact O-N 2.92Å
97C96.5Very high89.6Confident0 Ų032.9 Ų32.90%017%0.171CC..Hα-helixtrans-58.4-49.2178.3-70.10000111.4S55 E57 I60 F93 Q94 I95 I99 Q100 I101S55-C97 WeakPolarHBondContact O-CB 3.34Å; E57-C97 HydrophobicContact CG-CB 3.91Å; I60-C97 HydrophobicContact CD1-CB 3.74Å; F93-C97 WeakPolarHBondContact CZ-SG 3.17Å; F93-C97 WeakPolarHBondContact O-CB 3.28Å; F93-C97 PolarHBondContact O-N 3.14Å; F93-C97 PolarHBondContact O-SG 3.44Å; Q94-C97 PolarHBondContact O-N 3.3Å; I95-C97 VanDerWaalsContact C-N 3.32Å; I95-C97 PolarHBondContact O-N 3.48Å; C97-I99 VanDerWaalsContact C-N 3.31Å; C97-I99 PolarHBondContact O-N 2.97Å; C97-Q100 PolarHBondContact O-N 3.29Å; C97-I101 WeakPolarHBondContact O-CG1 3.4Å; C97-I101 PolarHBondContact O-N 3.09Å
98K95.5Very high89.2Confident16 Ų1634.2 Ų34.27%0.0718%0.176CC..Hα-helixtrans-61.5-37177.3-70.8174.5179.3-163.50113.1I50 D51 L53 Q94 I95 F96 N102I50-K98 HydrophobicContact CG2-CB 4.43Å; I50-K98 HydrophobicContact CG2-CD 3.76Å; I50-K98 WeakPolarHBondContact O-CD 3.43Å; I50-K98 PolarHBondContact O-NZ 2.87Å; D51-K98 VanDerWaalsContact C-NZ 3.33Å; D51-K98 PolarHBondContact O-NZ 3.33Å; D51-K98 IonicContact OD1-NZ 3.88Å; L53-K98 HydrophobicContact CB-CD 4.44Å; L53-K98 HydrophobicContact CB-CG 4.42Å; L53-K98 VanDerWaalsContact O-CE 3.32Å; L53-K98 WeakPolarHBondContact O-CE 3.28Å; Q94-K98 VanDerWaalsContact O-CG 3.27Å; Q94-K98 WeakPolarHBondContact O-CG 3.2Å; Q94-K98 PolarHBondContact O-N 3.49Å; I95-K98 PolarHBondContact O-N 3.17Å; F96-K98 PolarHBondContact O-N 2.82Å; K98-N102 VanDerWaalsContact O-CB 3.31Å; K98-N102 WeakPolarHBondContact O-CB 3.41Å; K98-N102 PolarHBondContact O-N 2.82Å; K98-N102 PolarHBondContact O-ND2 3.33Å
99I95.3Very high87.8Confident10 Ų1033.5 Ų33.55%0.05118%0.177CC..Hα-helixtrans-66.2-42173.4-67.4164.5000111L36 I37 I40 I95 F96 C97 I101 G103 L118L36-I99 HydrophobicContact CD2-CD1 3.91Å; L36-I99 HydrophobicContact CD2-CG1 4.03Å; L36-I99 HydrophobicContact CD2-CG2 3.86Å; L36-I99 HydrophobicContact CG-CD1 3.97Å; L36-I99 HydrophobicContact CG-CG1 4.48Å; I37-I99 HydrophobicContact CD1-CD1 4.38Å; I37-I99 HydrophobicContact CG1-CD1 3.5Å; I40-I99 HydrophobicContact CD1-CD1 3.81Å; I40-I99 HydrophobicContact CD1-CG1 4.04Å; I95-I99 HydrophobicContact CG2-CD1 3.8Å; I95-I99 HydrophobicContact CG2-CG1 4.41Å; I95-I99 VanDerWaalsContact O-CG1 3.29Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 2.97Å; F96-I99 PolarHBondContact O-N 2.61Å; C97-I99 VanDerWaalsContact C-N 3.31Å; C97-I99 PolarHBondContact O-N 2.97Å; I99-I101 VanDerWaalsContact C-N 3.32Å; I99-I101 PolarHBondContact O-N 2.98Å; I99-G103 WeakPolarHBondContact O-CA 3.35Å; I99-G103 PolarHBondContact O-N 2.96Å; I99-L118 HydrophobicContact CG1-CD1 4.04Å; I99-L118 HydrophobicContact CG1-CG 4.42Å
100Q95.2Very high86.1Confident42 Ų4231.6 Ų31.620%0.19617%0.17CC..Hα-helixtrans-62.3-42.1179.1-66-39.2-77.700111.2I60 L66 F96 C97I60-Q100 HydrophobicContact CD1-CB 4.18Å; L66-Q100 HydrophobicContact CD2-CG 4.45Å; F96-Q100 HydrophobicContact CD1-CG 4.28Å; F96-Q100 HydrophobicContact CD2-CG 4.48Å; F96-Q100 HydrophobicContact CE1-CG 3.78Å; F96-Q100 HydrophobicContact CE2-CG 4Å; F96-Q100 HydrophobicContact CZ-CG 3.63Å; F96-Q100 WeakPolarHBondContact O-CG 3.44Å; F96-Q100 PolarHBondContact O-N 2.92Å; C97-Q100 PolarHBondContact O-N 3.29Å
101I95.8Very high84.4Confident16 Ų1629.2 Ų29.28%0.08217%0.166CC..Hα-helixtrans-79.7-38.1-175.6-61.3-53.6000113.3F54 S55 H56 I60 C97 I99 N177 Y178 Y179F54-I101 HydrophobicContact CB-CG2 4.48Å; S55-I101 WeakPolarHBondContact O-CG1 3.43Å; H56-I101 HydrophobicContact CB-CD1 3.9Å; H56-I101 HydrophobicContact CB-CG1 4.01Å; I60-I101 HydrophobicContact CD1-CD1 4.26Å; I60-I101 HydrophobicContact CD1-CG1 4.21Å; C97-I101 WeakPolarHBondContact O-CG1 3.4Å; C97-I101 PolarHBondContact O-N 3.09Å; I99-I101 VanDerWaalsContact C-N 3.32Å; I99-I101 PolarHBondContact O-N 2.98Å; I101-N177 WeakPolarHBondContact CD1-O 3.04Å; I101-Y178 WeakPolarHBondContact O-CE1 3.3Å; I101-Y179 HydrophobicContact CD1-CD2 4.09Å; I101-Y179 HydrophobicContact CD1-CE2 3.85Å
102N95.8Very high83.1Confident15 Ų1531.3 Ų31.38%0.0818%0.179CC..Hα-helixtrans-115.4-0.4-168.3-53.6-95.2000113.1L53 F54 K98 F104 L118 A123L53-N102 HydrophobicContact CD1-CB 3.99Å; F54-N102 PolarHBondContact O-ND2 3.45Å; K98-N102 VanDerWaalsContact O-CB 3.31Å; K98-N102 WeakPolarHBondContact O-CB 3.41Å; K98-N102 PolarHBondContact O-N 2.82Å; K98-N102 PolarHBondContact O-ND2 3.33Å; N102-F104 WeakPolarHBondContact O-CD2 3.19Å; N102-F104 WeakPolarHBondContact O-CE2 3.41Å; N102-L118 HydrophobicContact CB-CD2 3.91Å; N102-A123 HydrophobicContact CB-CB 4.01Å
103G94.5Very high82.3Confident18 Ų1836.2 Ų36.219%0.18621%0.205CC..  trans-72142.2-177.800000111.9I99I99-G103 WeakPolarHBondContact O-CA 3.35Å; I99-G103 PolarHBondContact O-N 2.96Å
104F91.7Very high81.5Confident16 Ų1640.4 Ų40.47%0.0723%0.231CC..EExtended strand (participates in β ladder)trans-106.5133.1169.3-67.2-101.4000108.3N102 I106 P116 A117 F119 A122 A123 Y135 F137 L142 I158N102-F104 WeakPolarHBondContact O-CD2 3.19Å; N102-F104 WeakPolarHBondContact O-CE2 3.41Å; F104-I106 PolarHBondContact O-N 3.2Å; F104-P116 CarbonylContact O-C 3.59Å; F104-P116 WeakPolarHBondContact O-CA 3.36Å; F104-A117 PolarHBondContact N-O 3.42Å; F104-A117 PolarHBondContact O-N 3.19Å; F104-F119 HydrophobicContact CB-CD2 3.84Å; F104-F119 HydrophobicContact CB-CE2 4.05Å; F104-F119 HydrophobicContact CD2-CB 4.26Å; F104-F119 AromaticContact CD2-CD2 3.84Å; F104-F119 HydrophobicContact CD2-CD2 3.84Å; F104-F119 HydrophobicContact CE2-CB 4.34Å; F104-F119 AromaticContact CG-CD2 3.89Å; F104-F119 HydrophobicContact CG-CD2 3.89Å; F104-A122 HydrophobicContact CE2-CB 4.28Å; F104-A122 HydrophobicContact CZ-CB 3.89Å; F104-A123 HydrophobicContact CE2-CB 4.31Å; F104-Y135 HydrophobicContact CD1-CD2 4.41Å; F104-Y135 HydrophobicContact CD1-CE1 4.22Å; F104-Y135 AromaticContact CD1-CE2 3.91Å; F104-Y135 HydrophobicContact CD1-CE2 3.91Å; F104-Y135 AromaticContact CD1-CZ 3.8Å; F104-Y135 HydrophobicContact CE1-CD1 4.26Å; F104-Y135 AromaticContact CE1-CE1 3.93Å; F104-Y135 HydrophobicContact CE1-CE1 3.93Å; F104-Y135 HydrophobicContact CE1-CE2 4.39Å; F104-F137 HydrophobicContact CB-CE1 4.28Å; F104-F137 HydrophobicContact CB-CZ 4.11Å; F104-L142 HydrophobicContact CD1-CD1 3.62Å; F104-L142 HydrophobicContact CD2-CD1 4.44Å; F104-L142 HydrophobicContact CE1-CD1 3.7Å; F104-L142 HydrophobicContact CG-CD1 4.01Å; F104-L142 HydrophobicContact CZ-CD1 4.17Å; F104-I158 HydrophobicContact CE1-CD1 3.81Å; F104-I158 HydrophobicContact CZ-CD1 3.92Å
105M87.6Confident81.2Confident81 Ų8137.9 Ų37.940%0.39922%0.222SC..EExtended strand (participates in β ladder)trans-79.2111.2167.8-171.258.273.300108.7T107 D113 F137M105-T107 PolarHBondContact O-N 2.78Å; M105-D113 HydrophobicContact CG-CB 3.9Å; M105-D113 WeakPolarHBondContact CG-OD1 3.26Å; M105-D113 HydrophobicContact SD-CB 3.96Å; M105-F137 WeakPolarHBondContact O-CE2 3.28Å; M105-F137 VanDerWaalsContact O-CZ 3.31Å; M105-F137 WeakPolarHBondContact O-CZ 3.26Å
106I83.2Confident81.2Confident38 Ų3838.7 Ų38.720%0.19523%0.229CC..EExtended strand (participates in β ladder)trans-70.8128.3173.3-61.7173.9000107.4F104 V114 G115 A117 F119 F137F104-I106 PolarHBondContact O-N 3.2Å; I106-V114 HydrophobicContact CG2-CB 4.28Å; I106-V114 WeakPolarHBondContact O-CB 3.29Å; I106-V114 PolarHBondContact O-N 3.39Å; I106-G115 WeakPolarHBondContact CB-O 3.18Å; I106-G115 PolarHBondContact N-O 3.25Å; I106-G115 PolarHBondContact O-N 3.28Å; I106-A117 HydrophobicContact CD1-CB 3.46Å; I106-A117 VanDerWaalsContact CD1-CB 3.46Å; I106-A117 HydrophobicContact CG1-CB 3.89Å; I106-F119 HydrophobicContact CD1-CE2 4.36Å; I106-F119 HydrophobicContact CD1-CZ 4.1Å; I106-F119 HydrophobicContact CG1-CE2 4.09Å; I106-F119 HydrophobicContact CG1-CZ 4.2Å; I106-F137 HydrophobicContact CG1-CD1 4.2Å; I106-F137 HydrophobicContact CG1-CE1 4.16Å; I106-F137 HydrophobicContact CG2-CB 4.31Å; I106-F137 HydrophobicContact CG2-CD1 4.49Å; I106-F137 HydrophobicContact CG2-CD2 4.35Å; I106-F137 HydrophobicContact CG2-CG 4.12Å
107T67.4Low81Confident34 Ų3439.5 Ų39.521%0.20924%0.235CC..EExtended strand (participates in β ladder)trans-107152.9170.467.30000110.7M105 V112M105-T107 PolarHBondContact O-N 2.78Å; T107-V112 CarbonylContact C-O 3.6Å; T107-V112 WeakPolarHBondContact CA-O 3.43Å
108D63.2Low80.8Confident46 Ų4641 Ų4125%0.24624%0.243CC..  trans-72.3177.1166.677.6-3.8000110.4N110 G111 V112 V114D108-N110 PolarHBondContact O-N 3.1Å; D108-N110 VanDerWaalsContact OD1-C 3.31Å; D108-N110 WeakPolarHBondContact OD1-CA 3.29Å; D108-N110 VanDerWaalsContact OD1-CB 3.23Å; D108-N110 WeakPolarHBondContact OD1-CB 3.32Å; D108-N110 PolarHBondContact OD1-N 2.75Å; D108-G111 PolarHBondContact O-N 3.36Å; D108-G111 PolarHBondContact OD1-N 2.76Å; D108-V112 PolarHBondContact N-O 3.1Å; D108-V112 PolarHBondContact OD1-N 3.25Å; D108-V114 HydrophobicContact CB-CG2 3.84Å
109P53.8Low80.6Confident86 Ų8641.9 Ų41.956%0.55825%0.247SC*.THydrogen-bonded Turntrans-58.5-17.2175.9-25.636.3000114.2
110N48.4Very low80.4Confident56 Ų5643.6 Ų43.630%0.29926%0.256SS..THydrogen-bonded Turntrans-92-0.9-179.6-58.4-29.5000113.5D108 V112 H330 T331D108-N110 PolarHBondContact O-N 3.1Å; D108-N110 VanDerWaalsContact OD1-C 3.31Å; D108-N110 WeakPolarHBondContact OD1-CA 3.29Å; D108-N110 VanDerWaalsContact OD1-CB 3.23Å; D108-N110 WeakPolarHBondContact OD1-CB 3.32Å; D108-N110 PolarHBondContact OD1-N 2.75Å; N110-V112 VanDerWaalsContact C-N 3.27Å; N110-V112 HydrophobicContact CB-CG2 4.29Å; N110-H330 HydrophobicContact CB-CB 4.04Å; N110-H330 WeakPolarHBondContact CB-O 3.38Å; N110-H330 PolarHBondContact ND2-O 3.33Å; N110-H330 PolarHBondContact OD1-O 2.84Å; N110-T331 WeakPolarHBondContact O-CG2 3.26Å
111G53.2Low80.1Confident27 Ų2752.4 Ų52.428%0.27829%0.287SS..SBendtrans78.69.3-176.400000113.6D108D108-G111 PolarHBondContact O-N 3.36Å; D108-G111 PolarHBondContact OD1-N 2.76Å
112V61.2Low79.9Confident69 Ų6951.9 Ų51.942%0.41829%0.285SS..  trans-81132.9175.8-177.10000109.4T107 D108 N110 V114 T331T107-V112 CarbonylContact C-O 3.6Å; T107-V112 WeakPolarHBondContact CA-O 3.43Å; D108-V112 PolarHBondContact N-O 3.1Å; D108-V112 PolarHBondContact OD1-N 3.25Å; N110-V112 VanDerWaalsContact C-N 3.27Å; N110-V112 HydrophobicContact CB-CG2 4.29Å; V112-V114 PolarHBondContact O-N 3.36Å; V112-T331 HydrophobicContact CG2-CG2 3.76Å
113D74Confident79.8Confident107 Ų10751.7 Ų51.757%0.57229%0.286SS*.EExtended strand (participates in β ladder)trans-60.4122.2177.5-72.6-8.3000111.8M105M105-D113 HydrophobicContact CG-CB 3.9Å; M105-D113 WeakPolarHBondContact CG-OD1 3.26Å; M105-D113 HydrophobicContact SD-CB 3.96Å
114V78.7Confident79.6Confident93 Ų9358.7 Ų58.756%0.56431%0.307SS*.EExtended strand (participates in β ladder)trans-94.8-40174.5177.90000110.5I106 D108 V112I106-V114 HydrophobicContact CG2-CB 4.28Å; I106-V114 WeakPolarHBondContact O-CB 3.29Å; I106-V114 PolarHBondContact O-N 3.39Å; D108-V114 HydrophobicContact CB-CG2 3.84Å; V112-V114 PolarHBondContact O-N 3.36Å
115G86.3Confident79.7Confident13 Ų1359.1 Ų59.113%0.13431%0.31CS..EExtended strand (participates in β ladder)trans155.6167.417500000114.4I106I106-G115 WeakPolarHBondContact CB-O 3.18Å; I106-G115 PolarHBondContact N-O 3.25Å; I106-G115 PolarHBondContact O-N 3.28Å
116P92.3Very high80Confident29 Ų2960.3 Ų60.319%0.18832%0.318CS..EExtended strand (participates in β ladder)trans-73.1148.5-177.730.9-36000112.1P33 L36 F104P33-P116 HydrophobicContact CG-CG 4.23Å; L36-P116 HydrophobicContact CD2-CB 4.01Å; L36-P116 HydrophobicContact CD2-CG 4.11Å; F104-P116 CarbonylContact O-C 3.59Å; F104-P116 WeakPolarHBondContact O-CA 3.36Å
117A91.9Very high80.5Confident17 Ų1759.3 Ų59.314%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-148.2157.8171.200000112F104 I106 F119F104-A117 PolarHBondContact N-O 3.42Å; F104-A117 PolarHBondContact O-N 3.19Å; I106-A117 HydrophobicContact CD1-CB 3.46Å; I106-A117 VanDerWaalsContact CD1-CB 3.46Å; I106-A117 HydrophobicContact CG1-CB 3.89Å; A117-F119 HydrophobicContact CB-CD2 4.44Å; A117-F119 HydrophobicContact CB-CE2 3.81Å; A117-F119 HydrophobicContact CB-CZ 4.22Å
118L91.8Very high81.5Confident32 Ų3258.3 Ų58.317%0.16831%0.307CS..  trans-106116.4172.7-74.1173.6000110I40 I50 L53 I99 N102 L120I40-L118 HydrophobicContact CD1-CD1 3.71Å; I50-L118 HydrophobicContact CD1-CD1 4.3Å; I50-L118 HydrophobicContact CG1-CD1 4.38Å; L53-L118 HydrophobicContact CD1-CD2 4.32Å; I99-L118 HydrophobicContact CG1-CD1 4.04Å; I99-L118 HydrophobicContact CG1-CG 4.42Å; N102-L118 HydrophobicContact CB-CD2 3.91Å; L118-L120 HydrophobicContact CB-CD2 4.33Å
119F92.2Very high82.2Confident34 Ų3456.5 Ų56.515%0.14930%0.297CS..  trans-103.184.3172-64.8-83.3000109.1F104 I106 A117 R121 A122 A123 F137 L142F104-F119 HydrophobicContact CB-CD2 3.84Å; F104-F119 HydrophobicContact CB-CE2 4.05Å; F104-F119 HydrophobicContact CD2-CB 4.26Å; F104-F119 AromaticContact CD2-CD2 3.84Å; F104-F119 HydrophobicContact CD2-CD2 3.84Å; F104-F119 HydrophobicContact CE2-CB 4.34Å; F104-F119 AromaticContact CG-CD2 3.89Å; F104-F119 HydrophobicContact CG-CD2 3.89Å; I106-F119 HydrophobicContact CD1-CE2 4.36Å; I106-F119 HydrophobicContact CD1-CZ 4.1Å; I106-F119 HydrophobicContact CG1-CE2 4.09Å; I106-F119 HydrophobicContact CG1-CZ 4.2Å; A117-F119 HydrophobicContact CB-CD2 4.44Å; A117-F119 HydrophobicContact CB-CE2 3.81Å; A117-F119 HydrophobicContact CB-CZ 4.22Å; F119-R121 PolarHBondContact O-N 2.93Å; F119-A122 HydrophobicContact CB-CB 4.04Å; F119-A122 CarbonylContact O-C 3.54Å; F119-A122 WeakPolarHBondContact O-CA 3.48Å; F119-A122 PolarHBondContact O-N 3.31Å; F119-A123 WeakPolarHBondContact O-CB 3.26Å; F119-A123 PolarHBondContact O-N 2.84Å; F119-F137 HydrophobicContact CD2-CE1 4.31Å; F119-F137 HydrophobicContact CE2-CD1 4.04Å; F119-F137 AromaticContact CE2-CE1 3.54Å; F119-F137 HydrophobicContact CE2-CE1 3.54Å; F119-F137 AromaticContact CZ-CD1 3.98Å; F119-F137 HydrophobicContact CZ-CD1 3.98Å; F119-F137 AromaticContact CZ-CE1 3.98Å; F119-F137 HydrophobicContact CZ-CE1 3.98Å; F119-L142 HydrophobicContact CB-CB 4.25Å; F119-L142 HydrophobicContact CB-CD1 4Å; F119-L142 HydrophobicContact CD1-CB 3.43Å; F119-L142 VanDerWaalsContact CD1-CB 3.43Å; F119-L142 HydrophobicContact CD1-CD1 4.48Å; F119-L142 HydrophobicContact CD2-CB 4Å; F119-L142 HydrophobicContact CD2-CD1 3.64Å; F119-L142 HydrophobicContact CD2-CG 4.47Å; F119-L142 HydrophobicContact CE1-CB 3.64Å; F119-L142 HydrophobicContact CE2-CB 4.19Å; F119-L142 HydrophobicContact CE2-CD1 4.22Å; F119-L142 HydrophobicContact CG-CB 3.62Å; F119-L142 HydrophobicContact CG-CD1 3.78Å; F119-L142 HydrophobicContact CG-CG 4.35Å; F119-L142 HydrophobicContact CZ-CB 4.01Å
120L90.2Very high83.4Confident46 Ų4655.6 Ų55.624%0.24129%0.29CS..THydrogen-bonded Turntrans-51.1-31.4-165.1-58.2176.7000115.9H49 I50 L53 L118H49-L120 HydrophobicContact CB-CD1 3.65Å; I50-L120 HydrophobicContact CG1-CD2 3.73Å; L53-L120 HydrophobicContact CD1-CD2 3.96Å; L118-L120 HydrophobicContact CB-CD2 4.33Å
121R89.7Confident84.9Confident227 Ų22753.5 Ų53.586%0.85728%0.279SS*.THydrogen-bonded Turntrans-77.1-42.9175.5-66-175.6-178.6-173.6-0.2112.3F119F119-R121 PolarHBondContact O-N 2.93Å
122A91.8Very high86.1Confident5 Ų555 Ų554%0.04128%0.279CS..G310 helixtrans-73.8-2917900000112.3F104 F119 R124 L125 L142F104-A122 HydrophobicContact CE2-CB 4.28Å; F104-A122 HydrophobicContact CZ-CB 3.89Å; F119-A122 HydrophobicContact CB-CB 4.04Å; F119-A122 CarbonylContact O-C 3.54Å; F119-A122 WeakPolarHBondContact O-CA 3.48Å; F119-A122 PolarHBondContact O-N 3.31Å; A122-R124 PolarHBondContact O-N 3.46Å; A122-L125 WeakPolarHBondContact O-CB 3.5Å; A122-L125 WeakPolarHBondContact O-CG 3.49Å; A122-L125 PolarHBondContact O-N 3.31Å; A122-L142 HydrophobicContact CB-CD1 3.93Å; A122-L142 HydrophobicContact CB-CD2 3.84Å
123A92.8Very high86.8Confident11 Ų1152.6 Ų52.69%0.09126%0.264CS..G310 helixtrans-59.5-14.9174.900000114.3L53 N102 F104 F119L53-A123 HydrophobicContact CD2-CB 3.91Å; N102-A123 HydrophobicContact CB-CB 4.01Å; F104-A123 HydrophobicContact CE2-CB 4.31Å; F119-A123 WeakPolarHBondContact O-CB 3.26Å; F119-A123 PolarHBondContact O-N 2.84Å
124R91.1Very high86.6Confident166 Ų16647.8 Ų47.863%0.62624%0.238SC*.G310 helixtrans-89.3-5.7177.2-62.2176.8177.4-175.7-5.3113.4A122A122-R124 PolarHBondContact O-N 3.46Å
125L92.4Very high86.2Confident25 Ų2546.4 Ų46.413%0.13122%0.223CC..PPolyproline II helixtrans-86.5124.7-177.1-59.6174.7000109.1A122 L133 L144 P156 I158 Y160A122-L125 WeakPolarHBondContact O-CB 3.5Å; A122-L125 WeakPolarHBondContact O-CG 3.49Å; A122-L125 PolarHBondContact O-N 3.31Å; L125-L133 HydrophobicContact CD1-CD1 4.14Å; L125-L144 HydrophobicContact CD1-CD1 3.77Å; L125-L144 HydrophobicContact CD1-CD2 3.77Å; L125-L144 HydrophobicContact CD1-CG 4.47Å; L125-P156 HydrophobicContact CD2-CG 4.22Å; L125-P156 WeakPolarHBondContact CD2-O 3.46Å; L125-I158 HydrophobicContact CB-CD1 4.18Å; L125-I158 HydrophobicContact CB-CG1 3.99Å; L125-I158 HydrophobicContact CB-CG2 4.25Å; L125-I158 HydrophobicContact CD1-CG2 3.71Å; L125-Y160 WeakPolarHBondContact O-CE1 3.24Å; L125-Y160 PolarHBondContact O-OH 3.03Å
126D94.1Very high85.4Confident106 Ų10646.4 Ų46.457%0.56722%0.221SC*.PPolyproline II helixtrans-72.4163.2178.7-72.6-32.9000112.2H157 I158 Y160D126-H157 VanDerWaalsContact O-CA 3.24Å; D126-H157 WeakPolarHBondContact O-CA 3.45Å; D126-H157 WeakPolarHBondContact O-CB 3.01Å; D126-I158 PolarHBondContact O-N 3.19Å; D126-Y160 WeakPolarHBondContact CA-OH 3.18Å
127H93.2Very high84.3Confident17 Ų1746.6 Ų46.68%0.07922%0.219CC..BIsolated β-bridgetrans-80.5139.5178.5-178.657.5000113.5C129 I158 S159 Y160 L174 F180H127-C129 PolarHBondContact NE2-N 3.01Å; H127-C129 PolarHBondContact NE2-SG 3.25Å; H127-I158 CarbonylContact C-O 3.58Å; H127-I158 VanDerWaalsContact CA-O 3.24Å; H127-I158 WeakPolarHBondContact CA-O 3.46Å; H127-I158 PolarHBondContact ND1-O 2.82Å; H127-S159 PolarHBondContact CE1-OG 3.45Å; H127-Y160 HydrophobicContact CB-CD1 4.05Å; H127-Y160 HydrophobicContact CB-CD2 3.66Å; H127-Y160 HydrophobicContact CB-CE1 4.04Å; H127-Y160 HydrophobicContact CB-CE2 3.66Å; H127-Y160 HydrophobicContact CB-CG 3.85Å; H127-Y160 PolarHBondContact CE1-N 3.24Å; H127-Y160 PolarHBondContact N-OH 2.8Å; H127-Y160 AromaticContact ND1-CG 3.76Å; H127-Y160 PolarHBondContact ND1-N 2.91Å; H127-L174 VanDerWaalsContact CD2-CD1 3.44Å; H127-L174 WeakPolarHBondContact CD2-CD1 3.15Å; H127-L174 WeakPolarHBondContact NE2-CD1 3.39Å; H127-F180 HydrophobicContact CB-CE1 4.31Å; H127-F180 HydrophobicContact CB-CE2 4.16Å; H127-F180 HydrophobicContact CB-CZ 3.46Å; H127-F180 VanDerWaalsContact CB-CZ 3.46Å; H127-F180 AromaticContact CD2-CE2 3.99Å; H127-F180 AromaticContact CD2-CZ 3.74Å; H127-F180 AromaticContact CG-CZ 3.83Å
128S88.6Confident83.3Confident13 Ų1347.3 Ų47.39%0.09122%0.223CC..  trans-139.6142.9154.4178.50000109.5V130 P131 I158S128-V130 PolarHBondContact O-N 3.29Å; S128-V130 PolarHBondContact OG-N 2.9Å; S128-V130 PolarHBondContact OG-O 2.97Å; S128-P131 WeakPolarHBondContact O-CD 3.44Å; S128-I158 PolarHBondContact N-O 3.38Å
129C79.3Confident82.4Confident7 Ų753.1 Ų53.15%0.04725%0.254CS..SBendtrans-74.8-8.8167.9-48.80000112.1H127 C163 R170 C184 L186 C187H127-C129 PolarHBondContact NE2-N 3.01Å; H127-C129 PolarHBondContact NE2-SG 3.25Å; C129-C163 PolarHBondContact O-SG 3.28Å; C129-C163 VanDerWaalsContact O-SG 3.35Å; C129-R170 PolarHBondContact SG-NE 2.99Å; C129-R170 VanDerWaalsContact SG-NE 3.39Å; C129-C184 VanDerWaalsContact CB-SG 3.56Å; C129-L186 HydrophobicContact CB-CB 4.11Å; C129-L186 HydrophobicContact CB-CD2 3.56Å; C129-L186 HydrophobicContact CB-CG 4.47Å; C129-C187 PolarHBondContact SG-SG 2.72Å
130V77.4Confident81.6Confident68 Ų6858 Ų5841%0.41227%0.271SS..SBendtrans-122.271.8167.6-167.60000107.6S128 L186S128-V130 PolarHBondContact O-N 3.29Å; S128-V130 PolarHBondContact OG-N 2.9Å; S128-V130 PolarHBondContact OG-O 2.97Å; V130-L186 HydrophobicContact CG2-CB 3.62Å
131P81.2Confident81.2Confident11 Ų1162.2 Ų62.27%0.07129%0.29CS..  trans-78.4156.3-173.331-32.4000112.3S128 L133 Y147 H157S128-P131 WeakPolarHBondContact O-CD 3.44Å; P131-L133 WeakPolarHBondContact CB-O 3.37Å; P131-Y147 HydrophobicContact CB-CE2 4.42Å; P131-Y147 HydrophobicContact CG-CE2 3.89Å; P131-Y147 WeakPolarHBondContact O-CD2 3.11Å; P131-Y147 WeakPolarHBondContact O-CE2 3.49Å; P131-H157 HydrophobicContact CB-CB 4.42Å; P131-H157 WeakPolarHBondContact CB-O 3.44Å
132E78Confident81Confident58 Ų5852.6 Ų52.627%0.27126%0.255SS..SBendtrans-85-26.9171.2-61.279.4-174.600112.3R146 Y147 P156 H157E132-R146 WeakPolarHBondContact O-CG 3.19Å; E132-Y147 WeakPolarHBondContact O-CD2 3.3Å; E132-Y147 PolarHBondContact O-N 3.36Å; E132-P156 HydrophobicContact CB-CB 4.15Å; E132-H157 PolarHBondContact N-O 3.3Å; E132-H157 IonicContact OE1-ND1 3.91Å; E132-H157 WeakPolarHBondContact OE2-CB 3.41Å; E132-H157 IonicContact OE2-CG 3.05Å; E132-H157 PolarHBondContact OE2-N 3.41Å; E132-H157 IonicContact OE2-ND1 2.73Å; E132-H157 PolarHBondContact OE2-ND1 3.35Å
133L75.4Confident80.4Confident20 Ų2055 Ų5511%0.10527%0.267CS..EExtended strand (participates in β ladder)trans-116.8150178.5-64.6176.6000111.1L125 P131 L144 C145 R146 P156 H157 I158L125-L133 HydrophobicContact CD1-CD1 4.14Å; P131-L133 WeakPolarHBondContact CB-O 3.37Å; L133-L144 HydrophobicContact CD1-CD1 4.43Å; L133-L144 HydrophobicContact CD1-CD2 4.47Å; L133-C145 WeakPolarHBondContact CA-O 3.42Å; L133-R146 HydrophobicContact CD2-CB 3.92Å; L133-R146 HydrophobicContact CD2-CG 4.1Å; L133-P156 HydrophobicContact CD1-CB 3.47Å; L133-P156 VanDerWaalsContact CD1-CB 3.47Å; L133-P156 HydrophobicContact CD1-CG 3.36Å; L133-P156 HydrophobicContact CG-CB 3.62Å; L133-P156 HydrophobicContact CG-CG 4.08Å; L133-H157 WeakPolarHBondContact CB-O 3.38Å; L133-H157 PolarHBondContact N-O 3.41Å; L133-I158 HydrophobicContact CB-CG2 3.86Å; L133-I158 WeakPolarHBondContact O-CA 3.49Å
134Q69.4Low79.8Confident6 Ų657.9 Ų57.93%0.02828%0.28CS..EExtended strand (participates in β ladder)trans-124.5171.9164.953.9169.147.700109.2L144 C145 Y147 L379Q134-L144 CarbonylContact O-C 3.59Å; Q134-L144 VanDerWaalsContact O-CA 3.26Å; Q134-L144 WeakPolarHBondContact O-CA 3.09Å; Q134-C145 HydrophobicContact CG-CB 3.88Å; Q134-C145 WeakPolarHBondContact CG-O 3.35Å; Q134-C145 PolarHBondContact N-O 3.29Å; Q134-C145 PolarHBondContact O-N 3.42Å; Q134-Y147 HydrophobicContact CB-CE1 4.3Å; Q134-Y147 HydrophobicContact CB-CE2 4.23Å; Q134-Y147 WeakPolarHBondContact CB-OH 3.22Å; Q134-Y147 HydrophobicContact CG-CE1 4.21Å; Q134-L379 VanDerWaalsContact CD-CB 3.47Å; Q134-L379 VanDerWaalsContact NE2-CB 3.29Å; Q134-L379 PolarHBondContact NE2-O 3.15Å; Q134-L379 VanDerWaalsContact OE1-CB 3.25Å
135Y71.8Confident78.7Confident64 Ų6450.5 Ų50.525%0.25125%0.254SS..EExtended strand (participates in β ladder)trans-135.6153174.862.2-90.6000112.8F104 F137 L142 I143 I158F104-Y135 HydrophobicContact CD1-CD2 4.41Å; F104-Y135 HydrophobicContact CD1-CE1 4.22Å; F104-Y135 AromaticContact CD1-CE2 3.91Å; F104-Y135 HydrophobicContact CD1-CE2 3.91Å; F104-Y135 AromaticContact CD1-CZ 3.8Å; F104-Y135 HydrophobicContact CE1-CD1 4.26Å; F104-Y135 AromaticContact CE1-CE1 3.93Å; F104-Y135 HydrophobicContact CE1-CE1 3.93Å; F104-Y135 HydrophobicContact CE1-CE2 4.39Å; Y135-F137 HydrophobicContact CD2-CE1 4.27Å; Y135-F137 HydrophobicContact CD2-CE2 4.34Å; Y135-F137 AromaticContact CD2-CZ 3.93Å; Y135-F137 HydrophobicContact CD2-CZ 3.93Å; Y135-F137 HydrophobicContact CE2-CE1 4.35Å; Y135-F137 AromaticContact CE2-CE2 3.99Å; Y135-F137 HydrophobicContact CE2-CE2 3.99Å; Y135-F137 AromaticContact CE2-CZ 3.61Å; Y135-F137 HydrophobicContact CE2-CZ 3.61Å; Y135-L142 VanDerWaalsContact CB-CD2 3.44Å; Y135-L142 HydrophobicContact CD2-CD1 3.95Å; Y135-L142 HydrophobicContact CD2-CG 4.14Å; Y135-L142 HydrophobicContact CG-CD1 4.06Å; Y135-L142 HydrophobicContact CG-CD2 4.22Å; Y135-L142 HydrophobicContact CG-CG 4.15Å; Y135-I143 CarbonylContact C-O 3.58Å; Y135-I143 WeakPolarHBondContact CA-O 3.14Å; Y135-I158 HydrophobicContact CD1-CB 4.41Å; Y135-I158 HydrophobicContact CD1-CD1 4.23Å; Y135-I158 HydrophobicContact CD1-CG2 4.46Å; Y135-I158 HydrophobicContact CE1-CD1 4.14Å
136V67.8Low77.7Confident13 Ų1353.8 Ų53.88%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-134.8149.5171.6-62.20000109.2I143 L383V136-I143 HydrophobicContact CG2-CB 3.96Å; V136-I143 PolarHBondContact N-O 2.97Å; V136-I143 PolarHBondContact O-N 2.76Å; V136-L383 HydrophobicContact CB-CD2 3.92Å; V136-L383 HydrophobicContact CG1-CD2 3.69Å; V136-L383 HydrophobicContact CG2-CD2 3.7Å
137F69.8Low76Confident33 Ų3352 Ų5215%0.14525%0.25CS..EExtended strand (participates in β ladder)trans-89.5130.5174-55.7-66.5000109.9F104 M105 I106 F119 Y135 L142F104-F137 HydrophobicContact CB-CE1 4.28Å; F104-F137 HydrophobicContact CB-CZ 4.11Å; M105-F137 WeakPolarHBondContact O-CE2 3.28Å; M105-F137 VanDerWaalsContact O-CZ 3.31Å; M105-F137 WeakPolarHBondContact O-CZ 3.26Å; I106-F137 HydrophobicContact CG1-CD1 4.2Å; I106-F137 HydrophobicContact CG1-CE1 4.16Å; I106-F137 HydrophobicContact CG2-CB 4.31Å; I106-F137 HydrophobicContact CG2-CD1 4.49Å; I106-F137 HydrophobicContact CG2-CD2 4.35Å; I106-F137 HydrophobicContact CG2-CG 4.12Å; F119-F137 HydrophobicContact CD2-CE1 4.31Å; F119-F137 HydrophobicContact CE2-CD1 4.04Å; F119-F137 AromaticContact CE2-CE1 3.54Å; F119-F137 HydrophobicContact CE2-CE1 3.54Å; F119-F137 AromaticContact CZ-CD1 3.98Å; F119-F137 HydrophobicContact CZ-CD1 3.98Å; F119-F137 AromaticContact CZ-CE1 3.98Å; F119-F137 HydrophobicContact CZ-CE1 3.98Å; Y135-F137 HydrophobicContact CD2-CE1 4.27Å; Y135-F137 HydrophobicContact CD2-CE2 4.34Å; Y135-F137 AromaticContact CD2-CZ 3.93Å; Y135-F137 HydrophobicContact CD2-CZ 3.93Å; Y135-F137 HydrophobicContact CE2-CE1 4.35Å; Y135-F137 AromaticContact CE2-CE2 3.99Å; Y135-F137 HydrophobicContact CE2-CE2 3.99Å; Y135-F137 AromaticContact CE2-CZ 3.61Å; Y135-F137 HydrophobicContact CE2-CZ 3.61Å; F137-L142 HydrophobicContact CD1-CB 4.43Å; F137-L142 HydrophobicContact CE1-CB 4.43Å; F137-L142 HydrophobicContact CE1-CD1 4.01Å; F137-L142 HydrophobicContact CE1-CG 4.3Å
138S70.9Confident74.1Confident32 Ų3253.9 Ų53.922%0.22427%0.269CS..EExtended strand (participates in β ladder)trans-133.6113.2168.8-167.40000108.3R140 Q141S138-R140 PolarHBondContact O-N 2.96Å; S138-Q141 PolarHBondContact N-O 2.75Å; S138-Q141 PolarHBondContact O-N 2.95Å
139N73.2Confident72.6Confident153 Ų15359.4 Ų59.482%0.81831%0.307SS*.THydrogen-bonded Turntrans54.9-108.9-172.8-59.2-44.5000112.1
140R76Confident71.5Confident137 Ų13762.7 Ų62.752%0.51733%0.33SS..THydrogen-bonded Turntrans-108.810.4179.1-64.5177.3-66169.51.1112.7L11 S138L11-R140 VanDerWaalsContact CD1-NH1 3.25Å; S138-R140 PolarHBondContact O-N 2.96Å
141Q81.6Confident70.6Confident135 Ų13566.2 Ų66.263%0.63135%0.351SS*.EExtended strand (participates in β ladder)trans-110.9142.2-177.3-66.1-179.8-15.100110S138S138-Q141 PolarHBondContact N-O 2.75Å; S138-Q141 PolarHBondContact O-N 2.95Å
142L84.2Confident69.7Low25 Ų2568.4 Ų68.413%0.13137%0.366CS..EExtended strand (participates in β ladder)trans-95.9115.9163.4-177.4160.6000106.5F104 F119 A122 Y135 F137 L144F104-L142 HydrophobicContact CD1-CD1 3.62Å; F104-L142 HydrophobicContact CD2-CD1 4.44Å; F104-L142 HydrophobicContact CE1-CD1 3.7Å; F104-L142 HydrophobicContact CG-CD1 4.01Å; F104-L142 HydrophobicContact CZ-CD1 4.17Å; F119-L142 HydrophobicContact CB-CB 4.25Å; F119-L142 HydrophobicContact CB-CD1 4Å; F119-L142 HydrophobicContact CD1-CB 3.43Å; F119-L142 VanDerWaalsContact CD1-CB 3.43Å; F119-L142 HydrophobicContact CD1-CD1 4.48Å; F119-L142 HydrophobicContact CD2-CB 4Å; F119-L142 HydrophobicContact CD2-CD1 3.64Å; F119-L142 HydrophobicContact CD2-CG 4.47Å; F119-L142 HydrophobicContact CE1-CB 3.64Å; F119-L142 HydrophobicContact CE2-CB 4.19Å; F119-L142 HydrophobicContact CE2-CD1 4.22Å; F119-L142 HydrophobicContact CG-CB 3.62Å; F119-L142 HydrophobicContact CG-CD1 3.78Å; F119-L142 HydrophobicContact CG-CG 4.35Å; F119-L142 HydrophobicContact CZ-CB 4.01Å; A122-L142 HydrophobicContact CB-CD1 3.93Å; A122-L142 HydrophobicContact CB-CD2 3.84Å; Y135-L142 VanDerWaalsContact CB-CD2 3.44Å; Y135-L142 HydrophobicContact CD2-CD1 3.95Å; Y135-L142 HydrophobicContact CD2-CG 4.14Å; Y135-L142 HydrophobicContact CG-CD1 4.06Å; Y135-L142 HydrophobicContact CG-CD2 4.22Å; Y135-L142 HydrophobicContact CG-CG 4.15Å; F137-L142 HydrophobicContact CD1-CB 4.43Å; F137-L142 HydrophobicContact CE1-CB 4.43Å; F137-L142 HydrophobicContact CE1-CD1 4.01Å; F137-L142 HydrophobicContact CE1-CG 4.3Å; L142-L144 HydrophobicContact CD2-CD2 3.72Å; L142-L144 HydrophobicContact CD2-CG 3.73Å
143I79.7Confident69.2Low56 Ų5672 Ų7229%0.28740%0.398SS..EExtended strand (participates in β ladder)trans-97.3120.5178.4-59.8174.3000107.1Y135 V136Y135-I143 CarbonylContact C-O 3.58Å; Y135-I143 WeakPolarHBondContact CA-O 3.14Å; V136-I143 HydrophobicContact CG2-CB 3.96Å; V136-I143 PolarHBondContact N-O 2.97Å; V136-I143 PolarHBondContact O-N 2.76Å
144L80.2Confident69.5Low71 Ų7173.3 Ų73.337%0.37241%0.412SS..EExtended strand (participates in β ladder)trans-87.1127.3173.5-67.9165000109.3L125 L133 Q134 L142 I158L125-L144 HydrophobicContact CD1-CD1 3.77Å; L125-L144 HydrophobicContact CD1-CD2 3.77Å; L125-L144 HydrophobicContact CD1-CG 4.47Å; L133-L144 HydrophobicContact CD1-CD1 4.43Å; L133-L144 HydrophobicContact CD1-CD2 4.47Å; Q134-L144 CarbonylContact O-C 3.59Å; Q134-L144 VanDerWaalsContact O-CA 3.26Å; Q134-L144 WeakPolarHBondContact O-CA 3.09Å; L142-L144 HydrophobicContact CD2-CD2 3.72Å; L142-L144 HydrophobicContact CD2-CG 3.73Å; L144-I158 HydrophobicContact CD2-CG2 4.06Å
145C69.2Low70.2Confident10 Ų1078 Ų787%0.06844%0.442CS..EExtended strand (participates in β ladder)trans-119.2141.6175.5-48.90000109.5L133 Q134 L379 L450L133-C145 WeakPolarHBondContact CA-O 3.42Å; Q134-C145 HydrophobicContact CG-CB 3.88Å; Q134-C145 WeakPolarHBondContact CG-O 3.35Å; Q134-C145 PolarHBondContact N-O 3.29Å; Q134-C145 PolarHBondContact O-N 3.42Å; C145-L379 HydrophobicContact CB-CD2 3.62Å; C145-L450 HydrophobicContact CB-CD2 4.45Å
146R69.8Low71Confident94 Ų9476.7 Ų76.736%0.35544%0.442SS..EExtended strand (participates in β ladder)trans-93.6143.6178.1-160.7177.1-175.7120.111.1110.6E132 L133 A148 S150 C152E132-R146 WeakPolarHBondContact O-CG 3.19Å; L133-R146 HydrophobicContact CD2-CB 3.92Å; L133-R146 HydrophobicContact CD2-CG 4.1Å; R146-A148 WeakPolarHBondContact CD-O 3.46Å; R146-A148 VanDerWaalsContact CG-O 3.24Å; R146-A148 WeakPolarHBondContact CG-O 3.29Å; R146-A148 PolarHBondContact NE-O 2.87Å; R146-S150 PolarHBondContact NE-O 2.81Å; R146-S150 PolarHBondContact NH2-O 3.21Å; R146-C152 VanDerWaalsContact NH2-N 3.12Å
147Y58.6Low72Confident70 Ų7078.7 Ų78.728%0.27545%0.45SS..SBendtrans-73.5-36.2178.2-66.1-73.9000113.7P131 E132 Q134 L378 L379P131-Y147 HydrophobicContact CB-CE2 4.42Å; P131-Y147 HydrophobicContact CG-CE2 3.89Å; P131-Y147 WeakPolarHBondContact O-CD2 3.11Å; P131-Y147 WeakPolarHBondContact O-CE2 3.49Å; E132-Y147 WeakPolarHBondContact O-CD2 3.3Å; E132-Y147 PolarHBondContact O-N 3.36Å; Q134-Y147 HydrophobicContact CB-CE1 4.3Å; Q134-Y147 HydrophobicContact CB-CE2 4.23Å; Q134-Y147 WeakPolarHBondContact CB-OH 3.22Å; Q134-Y147 HydrophobicContact CG-CE1 4.21Å; Y147-L378 HydrophobicContact CD1-CD2 4.02Å; Y147-L378 HydrophobicContact CE1-CB 3.65Å; Y147-L378 HydrophobicContact CE1-CD2 3.32Å; Y147-L378 HydrophobicContact CE1-CG 4.05Å; Y147-L378 HydrophobicContact CE2-CD2 4.33Å; Y147-L378 VanDerWaalsContact CZ-CD2 3.48Å; Y147-L379 HydrophobicContact CD1-CB 4.21Å; Y147-L379 HydrophobicContact CE1-CB 4.37Å
148A55Low72.9Confident56 Ų5677.1 Ų77.146%0.46344%0.444SS..SBendtrans-136.2152.8-178.200000111.2R146 S150R146-A148 WeakPolarHBondContact CD-O 3.46Å; R146-A148 VanDerWaalsContact CG-O 3.24Å; R146-A148 WeakPolarHBondContact CG-O 3.29Å; R146-A148 PolarHBondContact NE-O 2.87Å; A148-S150 PolarHBondContact O-N 3.23Å
149S55.3Low73.4Confident128 Ų12876.6 Ų76.690%0.89544%0.44SS*.SBendtrans-73.6-3.1-177.952.20000114.7V151S149-V151 PolarHBondContact O-N 2.91Å
150S57.7Low74.1Confident77 Ų7771.5 Ų71.554%0.53841%0.409SS..  trans-66.8133.1-179.656.10000111.4R146 A148R146-S150 PolarHBondContact NE-O 2.81Å; R146-S150 PolarHBondContact NH2-O 3.21Å; A148-S150 PolarHBondContact O-N 3.23Å
151V58.3Low74.1Confident141 Ų14166 Ų6686%0.85539%0.392SS*.  trans-70.2129.7170.4-178.20000107.9S149S149-V151 PolarHBondContact O-N 2.91Å
152C62.7Low73.5Confident57 Ų5763.3 Ų63.339%0.38538%0.381SS..  trans-115135.4171.8-164.40000107.8R146 A154R146-C152 VanDerWaalsContact NH2-N 3.12Å; C152-A154 VanDerWaalsContact C-N 3.35Å
153S67.2Low72.7Confident134 Ų13462.7 Ų62.794%0.93738%0.379SS*.SBendtrans-78-21.817652.30000112.6
154A80.3Confident71.9Confident48 Ų4861.3 Ų61.340%0.39737%0.372SS..SBendtrans-79.7151.4178.400000111.8C152C152-A154 VanDerWaalsContact C-N 3.35Å
155P85.2Confident71.1Confident103 Ų10359.2 Ų59.267%0.66936%0.362SS*.PPolyproline II helixtrans-53.7128.6168.3-23.633.9000109.9H157P155-H157 PolarHBondContact O-CE1 3.29Å
156P88.9Confident71Confident38 Ų3859.4 Ų59.425%0.24736%0.363CS..PPolyproline II helixtrans-74.1150.5-179.928.9-33000111.3L125 E132 L133L125-P156 HydrophobicContact CD2-CG 4.22Å; L125-P156 WeakPolarHBondContact CD2-O 3.46Å; E132-P156 HydrophobicContact CB-CB 4.15Å; L133-P156 HydrophobicContact CD1-CB 3.47Å; L133-P156 VanDerWaalsContact CD1-CB 3.47Å; L133-P156 HydrophobicContact CD1-CG 3.36Å; L133-P156 HydrophobicContact CG-CB 3.62Å; L133-P156 HydrophobicContact CG-CG 4.08Å
157H89.4Confident71.4Confident54 Ų5456 Ų5625%0.2535%0.352CS..PPolyproline II helixtrans-103.6159.3177.5-53.185.5000111.2D126 P131 E132 L133 P155D126-H157 VanDerWaalsContact O-CA 3.24Å; D126-H157 WeakPolarHBondContact O-CA 3.45Å; D126-H157 WeakPolarHBondContact O-CB 3.01Å; P131-H157 HydrophobicContact CB-CB 4.42Å; P131-H157 WeakPolarHBondContact CB-O 3.44Å; E132-H157 PolarHBondContact N-O 3.3Å; E132-H157 IonicContact OE1-ND1 3.91Å; E132-H157 WeakPolarHBondContact OE2-CB 3.41Å; E132-H157 IonicContact OE2-CG 3.05Å; E132-H157 PolarHBondContact OE2-N 3.41Å; E132-H157 IonicContact OE2-ND1 2.73Å; E132-H157 PolarHBondContact OE2-ND1 3.35Å; L133-H157 WeakPolarHBondContact CB-O 3.38Å; L133-H157 PolarHBondContact N-O 3.41Å; P155-H157 PolarHBondContact O-CE1 3.29Å
158I87.5Confident72.4Confident1 Ų159.8 Ų59.81%0.00537%0.373CS..BIsolated β-bridgetrans-119.8165.3167.259.3171.7000110.2F104 L125 D126 H127 S128 L133 Y135 L144 Y160F104-I158 HydrophobicContact CE1-CD1 3.81Å; F104-I158 HydrophobicContact CZ-CD1 3.92Å; L125-I158 HydrophobicContact CB-CD1 4.18Å; L125-I158 HydrophobicContact CB-CG1 3.99Å; L125-I158 HydrophobicContact CB-CG2 4.25Å; L125-I158 HydrophobicContact CD1-CG2 3.71Å; D126-I158 PolarHBondContact O-N 3.19Å; H127-I158 CarbonylContact C-O 3.58Å; H127-I158 VanDerWaalsContact CA-O 3.24Å; H127-I158 WeakPolarHBondContact CA-O 3.46Å; H127-I158 PolarHBondContact ND1-O 2.82Å; S128-I158 PolarHBondContact N-O 3.38Å; L133-I158 HydrophobicContact CB-CG2 3.86Å; L133-I158 WeakPolarHBondContact O-CA 3.49Å; Y135-I158 HydrophobicContact CD1-CB 4.41Å; Y135-I158 HydrophobicContact CD1-CD1 4.23Å; Y135-I158 HydrophobicContact CD1-CG2 4.46Å; Y135-I158 HydrophobicContact CE1-CD1 4.14Å; L144-I158 HydrophobicContact CD2-CG2 4.06Å; I158-Y160 HydrophobicContact CD1-CD1 4.09Å; I158-Y160 HydrophobicContact CD1-CE1 3.78Å; I158-Y160 HydrophobicContact CG1-CD1 3.88Å; I158-Y160 HydrophobicContact CG1-CE1 3.55Å
159S81.4Confident73.5Confident20 Ų2060.3 Ų60.314%0.1437%0.366CS..  trans-89.2137166.7-170.40000110.9H127 C161 C163H127-S159 PolarHBondContact CE1-OG 3.45Å; S159-C161 PolarHBondContact OG-N 2.95Å; S159-C161 PolarHBondContact OG-O 3.41Å; S159-C163 PolarHBondContact OG-SG 2.84Å
160Y88.3Confident74.9Confident47 Ų4754.2 Ų54.218%0.18432%0.323CS..SBendtrans-97.6-15.9172.6-61.7-3.5000111.3L125 D126 H127 I158 L174 Y178 F180L125-Y160 WeakPolarHBondContact O-CE1 3.24Å; L125-Y160 PolarHBondContact O-OH 3.03Å; D126-Y160 WeakPolarHBondContact CA-OH 3.18Å; H127-Y160 HydrophobicContact CB-CD1 4.05Å; H127-Y160 HydrophobicContact CB-CD2 3.66Å; H127-Y160 HydrophobicContact CB-CE1 4.04Å; H127-Y160 HydrophobicContact CB-CE2 3.66Å; H127-Y160 HydrophobicContact CB-CG 3.85Å; H127-Y160 PolarHBondContact CE1-N 3.24Å; H127-Y160 PolarHBondContact N-OH 2.8Å; H127-Y160 AromaticContact ND1-CG 3.76Å; H127-Y160 PolarHBondContact ND1-N 2.91Å; I158-Y160 HydrophobicContact CD1-CD1 4.09Å; I158-Y160 HydrophobicContact CD1-CE1 3.78Å; I158-Y160 HydrophobicContact CG1-CD1 3.88Å; I158-Y160 HydrophobicContact CG1-CE1 3.55Å; Y160-L174 HydrophobicContact CD2-CD2 4.39Å; Y160-Y178 AromaticContact CD2-CD1 3.63Å; Y160-Y178 HydrophobicContact CD2-CD1 3.63Å; Y160-Y178 HydrophobicContact CD2-CD2 4.03Å; Y160-Y178 AromaticContact CD2-CE1 3.54Å; Y160-Y178 HydrophobicContact CD2-CE1 3.54Å; Y160-Y178 AromaticContact CD2-CE2 3.97Å; Y160-Y178 HydrophobicContact CD2-CE2 3.97Å; Y160-Y178 AromaticContact CD2-CG 3.88Å; Y160-Y178 HydrophobicContact CD2-CG 3.88Å; Y160-Y178 AromaticContact CD2-CZ 3.73Å; Y160-Y178 AromaticContact CE2-CD1 3.78Å; Y160-Y178 HydrophobicContact CE2-CD1 3.78Å; Y160-Y178 AromaticContact CE2-CE1 3.89Å; Y160-Y178 HydrophobicContact CE2-CE1 3.89Å; Y160-Y178 HydrophobicContact CE2-CG 4.29Å; Y160-Y178 HydrophobicContact CG-CE1 4.26Å; Y160-Y178 HydrophobicContact CG-CE2 4.43Å; Y160-F180 HydrophobicContact CD2-CE1 4.31Å; Y160-F180 HydrophobicContact CD2-CZ 4.5Å; Y160-F180 HydrophobicContact CE2-CE1 4.23Å
161C76.3Confident76.5Confident21 Ų2151.7 Ų51.714%0.14230%0.303CS..SBendtrans-132.8170.8-172.266.60000111.4S159 C163 Y173 L174S159-C161 PolarHBondContact OG-N 2.95Å; S159-C161 PolarHBondContact OG-O 3.41Å; C161-C163 PolarHBondContact O-N 3Å; C161-Y173 HydrophobicContact CB-CD1 3.49Å; C161-Y173 VanDerWaalsContact CB-CD1 3.49Å; C161-Y173 HydrophobicContact CB-CE1 3.74Å; C161-Y173 HydrophobicContact CB-CG 4.37Å; C161-L174 HydrophobicContact CB-CD2 4.47Å
162D69Low78.1Confident78 Ų7848.1 Ų48.142%0.41728%0.281SS..  trans-73.1106.8173-176.80.1000110.5M164 T165 R170D162-M164 PolarHBondContact O-N 2.86Å; D162-M164 VanDerWaalsContact O-N 3.08Å; D162-M164 WeakPolarHBondContact OD1-CB 3.41Å; D162-M164 WeakPolarHBondContact OD1-CG 3.31Å; D162-M164 PolarHBondContact OD1-N 3.31Å; D162-T165 HydrophobicContact CB-CG2 3.89Å; D162-T165 PolarHBondContact O-N 3.31Å; D162-T165 PolarHBondContact O-OG1 3.34Å; D162-R170 WeakPolarHBondContact O-CD 3.25Å
163C67.9Low79.3Confident13 Ų1349.9 Ų49.99%0.08828%0.28CS..THydrogen-bonded Turntrans-64.1-12.2179.2-56.20000113.4C129 S159 C161 L186 R192C129-C163 PolarHBondContact O-SG 3.28Å; C129-C163 VanDerWaalsContact O-SG 3.35Å; S159-C163 PolarHBondContact OG-SG 2.84Å; C161-C163 PolarHBondContact O-N 3Å; C163-L186 HydrophobicContact CB-CD2 4.26Å; C163-R192 PolarHBondContact O-NH2 3.24Å
164M61.9Low80.7Confident27 Ų2743.5 Ų43.513%0.13324%0.236CC..THydrogen-bonded Turntrans-84.2-17.8-179.8-56.9-56.9-77.600114.3D162 L317 A320 W377D162-M164 PolarHBondContact O-N 2.86Å; D162-M164 VanDerWaalsContact O-N 3.08Å; D162-M164 WeakPolarHBondContact OD1-CB 3.41Å; D162-M164 WeakPolarHBondContact OD1-CG 3.31Å; D162-M164 PolarHBondContact OD1-N 3.31Å; M164-L317 VanDerWaalsContact O-CD1 3.32Å; M164-L317 WeakPolarHBondContact O-CD1 3.2Å; M164-A320 HydrophobicContact CB-CB 3.59Å; M164-A320 HydrophobicContact CE-CB 3.83Å; M164-A320 HydrophobicContact CG-CB 4.37Å; M164-W377 HydrophobicContact CE-CE3 4.37Å; M164-W377 HydrophobicContact CE-CH2 3.07Å; M164-W377 HydrophobicContact CE-CZ2 3.64Å; M164-W377 HydrophobicContact CE-CZ3 3.51Å; M164-W377 HydrophobicContact SD-CE3 4.07Å; M164-W377 HydrophobicContact SD-CH2 3.19Å; M164-W377 WeakPolarHBondContact SD-CH2 3.31Å; M164-W377 HydrophobicContact SD-CZ2 4.29Å; M164-W377 HydrophobicContact SD-CZ3 3.04Å; M164-W377 WeakPolarHBondContact SD-CZ3 3.14Å
165T63.5Low81.5Confident26 Ų2644 Ų4416%0.1624%0.237CC..SBendtrans-69.5169.4176.757.50000111.8D162 E169 R170D162-T165 HydrophobicContact CB-CG2 3.89Å; D162-T165 PolarHBondContact O-N 3.31Å; D162-T165 PolarHBondContact O-OG1 3.34Å; T165-E169 VanDerWaalsContact CB-OE2 3.23Å; T165-E169 WeakPolarHBondContact CB-OE2 3.33Å; T165-R170 PolarHBondContact O-NH1 3.25Å; T165-R170 WeakPolarHBondContact OG1-CG 3.49Å
166T68Low81.8Confident14 Ų1443.3 Ų43.39%0.08623%0.227CC..  trans-62.4157.4175.866.60000111.2E168 E169 R170 E193 I196 T197 L317T166-E168 PolarHBondContact O-N 2.94Å; T166-E169 PolarHBondContact N-OE2 3.49Å; T166-E169 PolarHBondContact O-N 3.22Å; T166-E169 VanDerWaalsContact OG1-CB 3.32Å; T166-E169 WeakPolarHBondContact OG1-CB 3.48Å; T166-E169 WeakPolarHBondContact OG1-CG 3.25Å; T166-E169 PolarHBondContact OG1-N 3.29Å; T166-E169 PolarHBondContact OG1-OE2 2.95Å; T166-R170 VanDerWaalsContact C-NH1 3.34Å; T166-R170 WeakPolarHBondContact O-CG 3.36Å; T166-R170 PolarHBondContact O-N 3.04Å; T166-R170 PolarHBondContact O-NH1 2.91Å; T166-E193 WeakPolarHBondContact CB-OE1 3.32Å; T166-I196 HydrophobicContact CG2-CD1 4.49Å; T166-T197 HydrophobicContact CG2-CG2 3.83Å; T166-L317 HydrophobicContact CG2-CD1 4.39Å; T166-L317 HydrophobicContact CG2-CD2 3.87Å
167T77.2Confident82Confident22 Ų2244.6 Ų44.614%0.13523%0.232CC..Hα-helixtrans-60.7-37.3175-59.80000110.7R170 Q171 C187 E193T167-R170 PolarHBondContact O-N 3.07Å; T167-R170 PolarHBondContact OG1-NH2 3.48Å; T167-Q171 HydrophobicContact CG2-CG 4.05Å; T167-Q171 WeakPolarHBondContact O-CB 3.5Å; T167-Q171 WeakPolarHBondContact O-CG 3.31Å; T167-Q171 PolarHBondContact O-N 3.2Å; T167-C187 HydrophobicContact CG2-CB 4.26Å; T167-E193 WeakPolarHBondContact CA-OE2 3.42Å; T167-E193 WeakPolarHBondContact CB-OE2 3.29Å; T167-E193 PolarHBondContact N-OE1 2.91Å; T167-E193 PolarHBondContact N-OE2 3.27Å; T167-E193 PolarHBondContact OG1-OE2 3.32Å
168E80.4Confident82.3Confident150 Ų15043.6 Ų43.670%0.70123%0.226SC*.Hα-helixtrans-60.4-48173.9-174.9-179.8-178.800112.3T166 R170 Q171 T172T166-E168 PolarHBondContact O-N 2.94Å; E168-R170 PolarHBondContact O-N 3.28Å; E168-Q171 PolarHBondContact O-N 3.28Å; E168-T172 VanDerWaalsContact O-CB 3.26Å; E168-T172 WeakPolarHBondContact O-CB 3.43Å; E168-T172 PolarHBondContact O-N 3.46Å; E168-T172 PolarHBondContact O-OG1 2.84Å
169E78.2Confident82.7Confident68 Ų6846.4 Ų46.432%0.31824%0.237SC..Hα-helixtrans-59.6-47.3177.6-76.817114400110.8T165 T166 T172 Y173 R321T165-E169 VanDerWaalsContact CB-OE2 3.23Å; T165-E169 WeakPolarHBondContact CB-OE2 3.33Å; T166-E169 PolarHBondContact N-OE2 3.49Å; T166-E169 PolarHBondContact O-N 3.22Å; T166-E169 VanDerWaalsContact OG1-CB 3.32Å; T166-E169 WeakPolarHBondContact OG1-CB 3.48Å; T166-E169 WeakPolarHBondContact OG1-CG 3.25Å; T166-E169 PolarHBondContact OG1-N 3.29Å; T166-E169 PolarHBondContact OG1-OE2 2.95Å; E169-T172 PolarHBondContact O-N 3.27Å; E169-Y173 VanDerWaalsContact O-CB 3.31Å; E169-Y173 WeakPolarHBondContact O-CB 3.15Å; E169-Y173 PolarHBondContact O-N 2.87Å; E169-R321 IonicContact OE1-NH2 3.95Å; E169-R321 PolarHBondContact OE1-NH2 3.47Å
170R82.9Confident83.4Confident0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-62.1-48.3177.8-63.9-168.1-46.2-78.6-3.8112.1C129 D162 T165 T166 T167 E168 T172 Y173 L174 C187C129-R170 PolarHBondContact SG-NE 2.99Å; C129-R170 VanDerWaalsContact SG-NE 3.39Å; D162-R170 WeakPolarHBondContact O-CD 3.25Å; T165-R170 PolarHBondContact O-NH1 3.25Å; T165-R170 WeakPolarHBondContact OG1-CG 3.49Å; T166-R170 VanDerWaalsContact C-NH1 3.34Å; T166-R170 WeakPolarHBondContact O-CG 3.36Å; T166-R170 PolarHBondContact O-N 3.04Å; T166-R170 PolarHBondContact O-NH1 2.91Å; T167-R170 PolarHBondContact O-N 3.07Å; T167-R170 PolarHBondContact OG1-NH2 3.48Å; E168-R170 PolarHBondContact O-N 3.28Å; R170-T172 VanDerWaalsContact C-N 3.34Å; R170-T172 PolarHBondContact O-N 3.35Å; R170-Y173 PolarHBondContact O-N 2.81Å; R170-L174 WeakPolarHBondContact O-CB 3.39Å; R170-L174 WeakPolarHBondContact O-CG 3.38Å; R170-L174 PolarHBondContact O-N 2.65Å; R170-C187 PolarHBondContact NH2-SG 2.74Å
171Q93.1Very high83.8Confident24 Ų2453.7 Ų53.711%0.11227%0.268CS..Hα-helixtrans-65.4-40.2-178.5-65.6-64.3-11.300111.6T167 E168 L174 S175 C182 C187T167-Q171 HydrophobicContact CG2-CG 4.05Å; T167-Q171 WeakPolarHBondContact O-CB 3.5Å; T167-Q171 WeakPolarHBondContact O-CG 3.31Å; T167-Q171 PolarHBondContact O-N 3.2Å; E168-Q171 PolarHBondContact O-N 3.28Å; Q171-L174 PolarHBondContact O-N 2.83Å; Q171-S175 WeakPolarHBondContact O-CB 3.39Å; Q171-S175 PolarHBondContact O-N 2.89Å; Q171-C182 PolarHBondContact NE2-O 2.74Å; Q171-C187 PolarHBondContact NE2-SG 3.43Å
172T91Very high84.7Confident66 Ų6653.1 Ų53.141%0.40526%0.264SS..Hα-helixtrans-62.6-47175.3-58.50000110.4E168 E169 R170 S175 N176E168-T172 VanDerWaalsContact O-CB 3.26Å; E168-T172 WeakPolarHBondContact O-CB 3.43Å; E168-T172 PolarHBondContact O-N 3.46Å; E168-T172 PolarHBondContact O-OG1 2.84Å; E169-T172 PolarHBondContact O-N 3.27Å; R170-T172 VanDerWaalsContact C-N 3.34Å; R170-T172 PolarHBondContact O-N 3.35Å; T172-S175 PolarHBondContact O-N 3.35Å; T172-N176 WeakPolarHBondContact CG2-ND2 3.17Å; T172-N176 VanDerWaalsContact O-CB 3.25Å; T172-N176 WeakPolarHBondContact O-CB 3.37Å; T172-N176 PolarHBondContact O-N 2.68Å; T172-N176 PolarHBondContact O-ND2 3.38Å
173Y88.8Confident85.9Confident93 Ų9357.8 Ų57.837%0.36528%0.28SS..Hα-helixtrans-59.8-49.1177179.4-93.1000112.2C161 E169 R170 N176 N177 Y178C161-Y173 HydrophobicContact CB-CD1 3.49Å; C161-Y173 VanDerWaalsContact CB-CD1 3.49Å; C161-Y173 HydrophobicContact CB-CE1 3.74Å; C161-Y173 HydrophobicContact CB-CG 4.37Å; E169-Y173 VanDerWaalsContact O-CB 3.31Å; E169-Y173 WeakPolarHBondContact O-CB 3.15Å; E169-Y173 PolarHBondContact O-N 2.87Å; R170-Y173 PolarHBondContact O-N 2.81Å; Y173-N176 PolarHBondContact O-N 3.24Å; Y173-N177 WeakPolarHBondContact CD2-ND2 3.42Å; Y173-N177 WeakPolarHBondContact O-CB 3.27Å; Y173-N177 PolarHBondContact O-N 3.3Å; Y173-N177 PolarHBondContact O-ND2 3.32Å; Y173-Y178 HydrophobicContact CE1-CD2 4.44Å; Y173-Y178 AromaticContact CE1-CE2 3.76Å; Y173-Y178 HydrophobicContact CE1-CE2 3.76Å
174L96.2Very high86.9Confident0 Ų058.1 Ų58.10%028%0.283CS..Hα-helixtrans-66.2-40.9-179.6-66.5171.3000112.1H127 Y160 C161 R170 Q171 Y178 Y179 F180 C182H127-L174 VanDerWaalsContact CD2-CD1 3.44Å; H127-L174 WeakPolarHBondContact CD2-CD1 3.15Å; H127-L174 WeakPolarHBondContact NE2-CD1 3.39Å; Y160-L174 HydrophobicContact CD2-CD2 4.39Å; C161-L174 HydrophobicContact CB-CD2 4.47Å; R170-L174 WeakPolarHBondContact O-CB 3.39Å; R170-L174 WeakPolarHBondContact O-CG 3.38Å; R170-L174 PolarHBondContact O-N 2.65Å; Q171-L174 PolarHBondContact O-N 2.83Å; L174-Y178 HydrophobicContact CD2-CD2 4.17Å; L174-Y178 CarbonylContact O-C 3.58Å; L174-Y178 VanDerWaalsContact O-CA 3.32Å; L174-Y178 WeakPolarHBondContact O-CA 3.48Å; L174-Y178 WeakPolarHBondContact O-CB 3.21Å; L174-Y178 PolarHBondContact O-N 2.76Å; L174-Y179 PolarHBondContact O-N 3.08Å; L174-F180 CarbonylContact C-O 3.55Å; L174-F180 HydrophobicContact CB-CE1 4.45Å; L174-F180 HydrophobicContact CB-CE2 4.45Å; L174-F180 HydrophobicContact CB-CZ 4.16Å; L174-F180 HydrophobicContact CD1-CE2 4.16Å; L174-F180 HydrophobicContact CD1-CZ 4.11Å; L174-F180 HydrophobicContact CD2-CE1 4.18Å; L174-F180 HydrophobicContact CD2-CZ 3.71Å; L174-F180 HydrophobicContact CG-CZ 4.2Å; L174-C182 HydrophobicContact CD1-CB 3.69Å
175S95.9Very high88Confident60 Ų6060.8 Ų60.842%0.4230%0.304SS..Hα-helixtrans-64.9-42.4176.6-175.40000111.7Q171 T172 Y179 F180Q171-S175 WeakPolarHBondContact O-CB 3.39Å; Q171-S175 PolarHBondContact O-N 2.89Å; T172-S175 PolarHBondContact O-N 3.35Å; S175-Y179 VanDerWaalsContact O-CA 3.29Å; S175-Y179 WeakPolarHBondContact O-CA 3.29Å; S175-Y179 PolarHBondContact O-N 2.9Å; S175-F180 PolarHBondContact N-O 3.46Å
176N93.1Very high88.7Confident88 Ų8861 Ų6147%0.47130%0.304SS..Hα-helixtrans-76.2-33.4-175.7-70-6.6000113.2T172 Y173T172-N176 WeakPolarHBondContact CG2-ND2 3.17Å; T172-N176 VanDerWaalsContact O-CB 3.25Å; T172-N176 WeakPolarHBondContact O-CB 3.37Å; T172-N176 PolarHBondContact O-N 2.68Å; T172-N176 PolarHBondContact O-ND2 3.38Å; Y173-N176 PolarHBondContact O-N 3.24Å
177N92.1Very high89.4Confident64 Ų6461.1 Ų61.134%0.34231%0.305SS..Hα-helixtrans-103.3-26-173.5-63.1-82.6000113.7I101 Y173I101-N177 WeakPolarHBondContact CD1-O 3.04Å; Y173-N177 WeakPolarHBondContact CD2-ND2 3.42Å; Y173-N177 WeakPolarHBondContact O-CB 3.27Å; Y173-N177 PolarHBondContact O-N 3.3Å; Y173-N177 PolarHBondContact O-ND2 3.32Å
178Y95.4Very high89.9Confident34 Ų3464.5 Ų64.513%0.13333%0.326CS..Hα-helixtrans-129.1-0.8-174.7-58.6-89.6000113.4I101 Y160 Y173 L174 F180I101-Y178 WeakPolarHBondContact O-CE1 3.3Å; Y160-Y178 AromaticContact CD2-CD1 3.63Å; Y160-Y178 HydrophobicContact CD2-CD1 3.63Å; Y160-Y178 HydrophobicContact CD2-CD2 4.03Å; Y160-Y178 AromaticContact CD2-CE1 3.54Å; Y160-Y178 HydrophobicContact CD2-CE1 3.54Å; Y160-Y178 AromaticContact CD2-CE2 3.97Å; Y160-Y178 HydrophobicContact CD2-CE2 3.97Å; Y160-Y178 AromaticContact CD2-CG 3.88Å; Y160-Y178 HydrophobicContact CD2-CG 3.88Å; Y160-Y178 AromaticContact CD2-CZ 3.73Å; Y160-Y178 AromaticContact CE2-CD1 3.78Å; Y160-Y178 HydrophobicContact CE2-CD1 3.78Å; Y160-Y178 AromaticContact CE2-CE1 3.89Å; Y160-Y178 HydrophobicContact CE2-CE1 3.89Å; Y160-Y178 HydrophobicContact CE2-CG 4.29Å; Y160-Y178 HydrophobicContact CG-CE1 4.26Å; Y160-Y178 HydrophobicContact CG-CE2 4.43Å; Y173-Y178 HydrophobicContact CE1-CD2 4.44Å; Y173-Y178 AromaticContact CE1-CE2 3.76Å; Y173-Y178 HydrophobicContact CE1-CE2 3.76Å; L174-Y178 HydrophobicContact CD2-CD2 4.17Å; L174-Y178 CarbonylContact O-C 3.58Å; L174-Y178 VanDerWaalsContact O-CA 3.32Å; L174-Y178 WeakPolarHBondContact O-CA 3.48Å; L174-Y178 WeakPolarHBondContact O-CB 3.21Å; L174-Y178 PolarHBondContact O-N 2.76Å; Y178-F180 VanDerWaalsContact C-N 3.3Å; Y178-F180 VanDerWaalsContact CB-CE1 3.43Å; Y178-F180 HydrophobicContact CG-CE1 4.17Å; Y178-F180 PolarHBondContact O-N 3.29Å
179Y95.8Very high89.8Confident60 Ų6060.5 Ų60.524%0.23531%0.309CS..SBendtrans59.431.8172.5-48.8-69.2000115.5H56 E59 I60 I101 L174 S175H56-Y179 HydrophobicContact CB-CD2 3.63Å; H56-Y179 HydrophobicContact CB-CE2 3.77Å; H56-Y179 AromaticContact CG-CD2 3.7Å; H56-Y179 AromaticContact ND1-CD2 3.92Å; E59-Y179 HydrophobicContact CB-CD1 3.72Å; E59-Y179 HydrophobicContact CB-CD2 3.78Å; E59-Y179 HydrophobicContact CB-CE1 3.59Å; E59-Y179 HydrophobicContact CB-CE2 3.63Å; E59-Y179 HydrophobicContact CB-CG 3.8Å; E59-Y179 HydrophobicContact CG-CD1 4.04Å; E59-Y179 HydrophobicContact CG-CD2 4.19Å; E59-Y179 HydrophobicContact CG-CE1 4.41Å; E59-Y179 HydrophobicContact CG-CG 3.91Å; I60-Y179 HydrophobicContact CG1-CE2 3.98Å; I60-Y179 WeakPolarHBondContact CG1-OH 3.38Å; I101-Y179 HydrophobicContact CD1-CD2 4.09Å; I101-Y179 HydrophobicContact CD1-CE2 3.85Å; L174-Y179 PolarHBondContact O-N 3.08Å; S175-Y179 VanDerWaalsContact O-CA 3.29Å; S175-Y179 WeakPolarHBondContact O-CA 3.29Å; S175-Y179 PolarHBondContact O-N 2.9Å
180F96.2Very high89.7Confident67 Ų6762.8 Ų62.829%0.29432%0.322SS..  trans-139165.6173.377.9-89000112.4H127 Y160 L174 S175 Y178 C182H127-F180 HydrophobicContact CB-CE1 4.31Å; H127-F180 HydrophobicContact CB-CE2 4.16Å; H127-F180 HydrophobicContact CB-CZ 3.46Å; H127-F180 VanDerWaalsContact CB-CZ 3.46Å; H127-F180 AromaticContact CD2-CE2 3.99Å; H127-F180 AromaticContact CD2-CZ 3.74Å; H127-F180 AromaticContact CG-CZ 3.83Å; Y160-F180 HydrophobicContact CD2-CE1 4.31Å; Y160-F180 HydrophobicContact CD2-CZ 4.5Å; Y160-F180 HydrophobicContact CE2-CE1 4.23Å; L174-F180 CarbonylContact C-O 3.55Å; L174-F180 HydrophobicContact CB-CE1 4.45Å; L174-F180 HydrophobicContact CB-CE2 4.45Å; L174-F180 HydrophobicContact CB-CZ 4.16Å; L174-F180 HydrophobicContact CD1-CE2 4.16Å; L174-F180 HydrophobicContact CD1-CZ 4.11Å; L174-F180 HydrophobicContact CD2-CE1 4.18Å; L174-F180 HydrophobicContact CD2-CZ 3.71Å; L174-F180 HydrophobicContact CG-CZ 4.2Å; S175-F180 PolarHBondContact N-O 3.46Å; Y178-F180 VanDerWaalsContact C-N 3.3Å; Y178-F180 VanDerWaalsContact CB-CE1 3.43Å; Y178-F180 HydrophobicContact CG-CE1 4.17Å; Y178-F180 PolarHBondContact O-N 3.29Å; F180-C182 HydrophobicContact CE2-CB 4.18Å
181K96.6Very high88.9Confident153 Ų15367.8 Ų67.867%0.66535%0.349SS*.  trans-111126.8174.8-165.5-179-176.3171.90110.2
182C95.3Very high87.6Confident9 Ų968.5 Ų68.56%0.06135%0.351CS..  trans-78.9135.4178.4-174.90000111.1Q171 L174 F180 C184Q171-C182 PolarHBondContact NE2-O 2.74Å; L174-C182 HydrophobicContact CD1-CB 3.69Å; F180-C182 HydrophobicContact CE2-CB 4.18Å; C182-C184 PolarHBondContact SG-SG 3.48Å
183K94.3Very high86.2Confident176 Ų17667.2 Ų67.277%0.76534%0.34SS*.  trans-118.821.9178.2-61-178.7-177.7176.30113.1
184C89.1Confident84.7Confident20 Ų2069 Ų6914%0.13535%0.35CS..SBendtrans-66.1166.2178.474.20000111.9C129 C182 L186 C187 V188C129-C184 VanDerWaalsContact CB-SG 3.56Å; C182-C184 PolarHBondContact SG-SG 3.48Å; C184-L186 PolarHBondContact O-N 2.71Å; C184-L186 VanDerWaalsContact O-N 3.17Å; C184-C187 PolarHBondContact O-N 3.04Å; C184-V188 PolarHBondContact O-N 2.83Å
185S84.8Confident82.6Confident83 Ų8373.7 Ų73.758%0.5837%0.37SS*.Hα-helixtrans-52.8-37.1-179.951.20000113.3C187 V188 D189S185-C187 PolarHBondContact O-N 3.25Å; S185-V188 WeakPolarHBondContact O-CG2 2.84Å; S185-V188 PolarHBondContact O-N 3.22Å; S185-D189 PolarHBondContact O-N 3.41Å
186L77.5Confident80.5Confident29 Ų2971 Ų7115%0.15235%0.351CS..Hα-helixtrans-65.6-37.7177.2-160.875.5000113.1C129 V130 C163 C184 V188C129-L186 HydrophobicContact CB-CB 4.11Å; C129-L186 HydrophobicContact CB-CD2 3.56Å; C129-L186 HydrophobicContact CB-CG 4.47Å; V130-L186 HydrophobicContact CG2-CB 3.62Å; C163-L186 HydrophobicContact CB-CD2 4.26Å; C184-L186 PolarHBondContact O-N 2.71Å; C184-L186 VanDerWaalsContact O-N 3.17Å; L186-V188 VanDerWaalsContact C-N 3.34Å
187C84.5Confident78.6Confident17 Ų1770.5 Ų70.512%0.11535%0.351CS..Hα-helixtrans-80.9-15.3-176-74.90000113.5C129 T167 R170 Q171 C184 S185C129-C187 PolarHBondContact SG-SG 2.72Å; T167-C187 HydrophobicContact CG2-CB 4.26Å; R170-C187 PolarHBondContact NH2-SG 2.74Å; Q171-C187 PolarHBondContact NE2-SG 3.43Å; C184-C187 PolarHBondContact O-N 3.04Å; S185-C187 PolarHBondContact O-N 3.25Å
188V86.6Confident76.7Confident94 Ų9468.4 Ų68.457%0.5734%0.341SS*.Hα-helixtrans-99.9-6.6175.1-59.20000112.5C184 S185 L186 I190C184-V188 PolarHBondContact O-N 2.83Å; S185-V188 WeakPolarHBondContact O-CG2 2.84Å; S185-V188 PolarHBondContact O-N 3.22Å; L186-V188 VanDerWaalsContact C-N 3.34Å; V188-I190 PolarHBondContact O-N 3.46Å
189D79.5Confident74.6Confident66 Ų6667.9 Ų67.935%0.35334%0.341SS..  trans-8088179.6-170.9-9.9000111.8S185 N191 R192 E193S185-D189 PolarHBondContact O-N 3.41Å; D189-N191 PolarHBondContact O-N 3.43Å; D189-N191 WeakPolarHBondContact OD1-CA 3.33Å; D189-N191 WeakPolarHBondContact OD1-CB 3.48Å; D189-N191 PolarHBondContact OD1-N 3.34Å; D189-R192 HydrophobicContact CB-CB 4.01Å; D189-R192 VanDerWaalsContact CG-CB 3.49Å; D189-R192 PolarHBondContact O-N 3.06Å; D189-R192 PolarHBondContact OD1-N 2.92Å; D189-R192 WeakPolarHBondContact OD2-CB 3.47Å; D189-E193 PolarHBondContact O-N 3.36Å; D189-E193 VanDerWaalsContact O-N 3.16Å
190I75.3Confident72.4Confident116 Ų11666.1 Ų66.160%0.59534%0.335SS*.Hα-helixtrans-61.8-30.9175.7-62.1167.1000111.4V188 E193 K194V188-I190 PolarHBondContact O-N 3.46Å; I190-E193 PolarHBondContact O-N 3.44Å; I190-K194 HydrophobicContact CG2-CD 4.34Å; I190-K194 WeakPolarHBondContact O-CG 3.07Å; I190-K194 PolarHBondContact O-N 3.46Å
191N66.2Low70.3Confident104 Ų10462.9 Ų62.956%0.55632%0.321SS*.Hα-helixtrans-71.8-41.2-178.6-69.7-34000110.7D189 E193 K194 K195D189-N191 PolarHBondContact O-N 3.43Å; D189-N191 WeakPolarHBondContact OD1-CA 3.33Å; D189-N191 WeakPolarHBondContact OD1-CB 3.48Å; D189-N191 PolarHBondContact OD1-N 3.34Å; N191-E193 VanDerWaalsContact C-N 3.32Å; N191-K194 PolarHBondContact O-N 3.37Å; N191-K195 VanDerWaalsContact O-CG 3.22Å; N191-K195 WeakPolarHBondContact O-CG 3.32Å; N191-K195 PolarHBondContact O-N 3.16Å
192R65.1Low68.2Low40 Ų4057.2 Ų57.215%0.15130%0.3CS..Hα-helixtrans-58-47.6170.2-179.7-178.6-179-98.79.1110.8C163 D189 K194 K195 I196C163-R192 PolarHBondContact O-NH2 3.24Å; D189-R192 HydrophobicContact CB-CB 4.01Å; D189-R192 VanDerWaalsContact CG-CB 3.49Å; D189-R192 PolarHBondContact O-N 3.06Å; D189-R192 PolarHBondContact OD1-N 2.92Å; D189-R192 WeakPolarHBondContact OD2-CB 3.47Å; R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 3.35Å; R192-K195 PolarHBondContact O-N 3.33Å; R192-K195 VanDerWaalsContact O-N 3.07Å; R192-I196 HydrophobicContact CG-CG2 4.2Å; R192-I196 WeakPolarHBondContact O-CG2 3.44Å; R192-I196 PolarHBondContact O-N 3.02Å
193E61.9Low66.1Low39 Ų3962.5 Ų62.518%0.18234%0.337CS..Hα-helixtrans-57.5-45.6-178.6-168.259-146.200112.2T166 T167 D189 I190 N191 K195 I196 T197T166-E193 WeakPolarHBondContact CB-OE1 3.32Å; T167-E193 WeakPolarHBondContact CA-OE2 3.42Å; T167-E193 WeakPolarHBondContact CB-OE2 3.29Å; T167-E193 PolarHBondContact N-OE1 2.91Å; T167-E193 PolarHBondContact N-OE2 3.27Å; T167-E193 PolarHBondContact OG1-OE2 3.32Å; D189-E193 PolarHBondContact O-N 3.36Å; D189-E193 VanDerWaalsContact O-N 3.16Å; I190-E193 PolarHBondContact O-N 3.44Å; N191-E193 VanDerWaalsContact C-N 3.32Å; E193-K195 PolarHBondContact O-N 2.98Å; E193-I196 WeakPolarHBondContact O-CG1 3.43Å; E193-I196 PolarHBondContact O-N 2.92Å; E193-T197 WeakPolarHBondContact O-CG2 3.07Å; E193-T197 PolarHBondContact O-N 2.69Å; E193-T197 PolarHBondContact O-OG1 3.36Å
194K56.5Low64.1Low131 Ų13154.9 Ų54.957%0.5731%0.306SS*.Hα-helixtrans-59.5-44.8174.3-73.3176.1179.8179.40111.9I190 N191 R192 I196 T197 S198I190-K194 HydrophobicContact CG2-CD 4.34Å; I190-K194 WeakPolarHBondContact O-CG 3.07Å; I190-K194 PolarHBondContact O-N 3.46Å; N191-K194 PolarHBondContact O-N 3.37Å; R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 3.35Å; K194-I196 PolarHBondContact O-N 2.86Å; K194-T197 PolarHBondContact O-N 3.22Å; K194-T197 PolarHBondContact O-OG1 3.29Å; K194-S198 WeakPolarHBondContact O-CB 3.35Å; K194-S198 PolarHBondContact O-N 3.18Å; K194-S198 PolarHBondContact O-OG 3.42Å; K194-S198 VanDerWaalsContact O-OG 3.13Å
195K53.2Low62.4Low98 Ų9860.3 Ų60.343%0.42633%0.334SS..Hα-helixtrans-65.6-37.7-177.6-72.8171-177-175.60113.4N191 R192 E193 S198N191-K195 VanDerWaalsContact O-CG 3.22Å; N191-K195 WeakPolarHBondContact O-CG 3.32Å; N191-K195 PolarHBondContact O-N 3.16Å; R192-K195 PolarHBondContact O-N 3.33Å; R192-K195 VanDerWaalsContact O-N 3.07Å; E193-K195 PolarHBondContact O-N 2.98Å; K195-S198 PolarHBondContact O-OG 2.71Å
196I52.5Low61.1Low4 Ų459.2 Ų59.22%0.02133%0.325CS..Hα-helixtrans-79.3-24.1-177.768.1175.9000112.7T166 R192 E193 K194 D315 L317T166-I196 HydrophobicContact CG2-CD1 4.49Å; R192-I196 HydrophobicContact CG-CG2 4.2Å; R192-I196 WeakPolarHBondContact O-CG2 3.44Å; R192-I196 PolarHBondContact O-N 3.02Å; E193-I196 WeakPolarHBondContact O-CG1 3.43Å; E193-I196 PolarHBondContact O-N 2.92Å; K194-I196 PolarHBondContact O-N 2.86Å; I196-D315 VanDerWaalsContact CG2-O 3.29Å; I196-D315 WeakPolarHBondContact CG2-O 3.14Å; I196-L317 WeakPolarHBondContact O-CB 2.93Å; I196-L317 PolarHBondContact O-N 3.45Å
197T52.2Low60.2Low77 Ų7758.3 Ų58.347%0.47232%0.321SS..Hα-helixtrans-100-13.6-178.457.50000113.9T166 E193 K194T166-T197 HydrophobicContact CG2-CG2 3.83Å; E193-T197 WeakPolarHBondContact O-CG2 3.07Å; E193-T197 PolarHBondContact O-N 2.69Å; E193-T197 PolarHBondContact O-OG1 3.36Å; K194-T197 PolarHBondContact O-N 3.22Å; K194-T197 PolarHBondContact O-OG1 3.29Å
198S51.8Low59.3Low20 Ų2057.8 Ų57.814%0.1432%0.317CS..  trans-72.5132.7179.754.90000112.6K194 K195K194-S198 WeakPolarHBondContact O-CB 3.35Å; K194-S198 PolarHBondContact O-N 3.18Å; K194-S198 PolarHBondContact O-OG 3.42Å; K194-S198 VanDerWaalsContact O-OG 3.13Å; K195-S198 PolarHBondContact O-OG 2.71Å
199L52Low58.2Low23 Ų2355.7 Ų55.712%0.1232%0.315CS..BIsolated β-bridgetrans-75.9144.7158-62.8171.3000108.9C206 L207 I251 L310 F311L199-C206 CarbonylContact O-C 3.59Å; L199-C206 VanDerWaalsContact O-CA 3.32Å; L199-C206 WeakPolarHBondContact O-CA 3.39Å; L199-L207 HydrophobicContact CB-CD1 3.6Å; L199-L207 HydrophobicContact CB-CG 3.95Å; L199-L207 HydrophobicContact CD1-CD1 4.06Å; L199-L207 PolarHBondContact O-N 3.47Å; L199-I251 HydrophobicContact CD1-CB 4.41Å; L199-I251 HydrophobicContact CD1-CD1 3.62Å; L199-I251 HydrophobicContact CD1-CG1 3.68Å; L199-I251 HydrophobicContact CD1-CG2 3.86Å; L199-L310 CarbonylContact C-O 3.5Å; L199-L310 VanDerWaalsContact CA-O 3.23Å; L199-L310 WeakPolarHBondContact CA-O 3.41Å; L199-L310 HydrophobicContact CD1-CD2 4.16Å; L199-L310 HydrophobicContact CD2-CD2 4.1Å; L199-L310 WeakPolarHBondContact CD2-O 3.44Å; L199-L310 HydrophobicContact CG-CD2 4.5Å; L199-F311 HydrophobicContact CD2-CD1 3.95Å; L199-F311 HydrophobicContact CD2-CE1 3.44Å; L199-F311 VanDerWaalsContact CD2-CE1 3.44Å; L199-F311 HydrophobicContact CD2-CE2 4.48Å; L199-F311 HydrophobicContact CD2-CZ 3.75Å
200I48.4Very low57.5Low22 Ų2255.8 Ų55.811%0.11332%0.319CS..  trans-116.8175.417076.2-178.1000111.2S204 D205 K309 L310 F311 G312I200-S204 WeakPolarHBondContact CB-O 3.27Å; I200-S204 WeakPolarHBondContact CG2-O 3.32Å; I200-D205 WeakPolarHBondContact CG2-O 3.13Å; I200-K309 CarbonylContact C-O 3.49Å; I200-K309 WeakPolarHBondContact CG1-O 3.43Å; I200-K309 CarbonylContact O-C 3.53Å; I200-L310 PolarHBondContact N-O 3.43Å; I200-L310 CarbonylContact O-C 3.48Å; I200-L310 WeakPolarHBondContact O-CA 3.44Å; I200-F311 WeakPolarHBondContact CD1-O 3.41Å; I200-G312 WeakPolarHBondContact CD1-O 3.32Å; I200-G312 WeakPolarHBondContact CG2-O 3.45Å
201C53Low57.2Low0 Ų053.5 Ų53.50%031%0.307CS..  trans-156.3144.3159.81780000109.4S203 S204 L207 C239 C242 Y246 K309C201-S203 VanDerWaalsContact C-N 3.31Å; C201-S203 PolarHBondContact O-N 3.34Å; C201-S204 PolarHBondContact N-OG 3.33Å; C201-S204 VanDerWaalsContact O-CB 3.27Å; C201-S204 WeakPolarHBondContact O-CB 3.07Å; C201-S204 PolarHBondContact O-N 3.07Å; C201-S204 PolarHBondContact O-OG 2.97Å; C201-L207 HydrophobicContact CB-CD2 3.58Å; C201-C239 HydrophobicContact CB-CB 3.55Å; C201-C239 WeakPolarHBondContact CB-SG 3.29Å; C201-C239 PolarHBondContact O-SG 3.27Å; C201-C239 VanDerWaalsContact O-SG 3.32Å; C201-C242 PolarHBondContact SG-SG 3.03Å; C201-Y246 HydrophobicContact CB-CE2 4.11Å; C201-Y246 PolarHBondContact SG-OH 3.22Å; C201-K309 WeakPolarHBondContact CA-O 3.16Å; C201-K309 PolarHBondContact N-O 3.48Å
202C52.2Low57.3Low33 Ų3354.5 Ų54.522%0.22331%0.309CS..THydrogen-bonded Turntrans50.946.4174.3-710000113.9S204 V241 C242C202-S204 PolarHBondContact O-N 3.29Å; C202-V241 HydrophobicContact CB-CB 3.62Å; C202-V241 HydrophobicContact CB-CG1 3.66Å; C202-V241 HydrophobicContact CB-CG2 4.28Å; C202-C242 VanDerWaalsContact SG-CB 3.53Å; C202-C242 VanDerWaalsContact SG-SG 3.61Å
203S51Low57Low120 Ų12055.5 Ų55.584%0.83931%0.314SS*.THydrogen-bonded Turntrans64.714.6179.9-47.40000115.8C201C201-S203 VanDerWaalsContact C-N 3.31Å; C201-S203 PolarHBondContact O-N 3.34Å
204S53.6Low56.8Low17 Ų1762.8 Ų62.812%0.11935%0.348CS..  trans-65.7151.9168.368.70000111.4I200 C201 C202 C206I200-S204 WeakPolarHBondContact CB-O 3.27Å; I200-S204 WeakPolarHBondContact CG2-O 3.32Å; C201-S204 PolarHBondContact N-OG 3.33Å; C201-S204 VanDerWaalsContact O-CB 3.27Å; C201-S204 WeakPolarHBondContact O-CB 3.07Å; C201-S204 PolarHBondContact O-N 3.07Å; C201-S204 PolarHBondContact O-OG 2.97Å; C202-S204 PolarHBondContact O-N 3.29Å; S204-C206 VanDerWaalsContact C-N 3.3Å; S204-C206 PolarHBondContact O-N 3.32Å; S204-C206 PolarHBondContact OG-O 2.76Å
205D52.1Low56.7Low133 Ų13365.2 Ų65.271%0.71136%0.359SS*.SBendtrans-70.1-27170.6-69.2-29.5000113.1I200I200-D205 WeakPolarHBondContact CG2-O 3.13Å
206C57.6Low56.7Low60 Ų6063.4 Ų63.441%0.40535%0.353SS..SBendtrans-160.6157.3171.758.30000111.3L199 S204L199-C206 CarbonylContact O-C 3.59Å; L199-C206 VanDerWaalsContact O-CA 3.32Å; L199-C206 WeakPolarHBondContact O-CA 3.39Å; S204-C206 VanDerWaalsContact C-N 3.3Å; S204-C206 PolarHBondContact O-N 3.32Å; S204-C206 PolarHBondContact OG-O 2.76Å
207L58.4Low56.6Low10 Ų1064.9 Ų64.95%0.05236%0.363CS..PPolyproline II helixtrans-63.6162.4159.8-61.3-178.4000110.2L199 C201 R237 C239 Y246L199-L207 HydrophobicContact CB-CD1 3.6Å; L199-L207 HydrophobicContact CB-CG 3.95Å; L199-L207 HydrophobicContact CD1-CD1 4.06Å; L199-L207 PolarHBondContact O-N 3.47Å; C201-L207 HydrophobicContact CB-CD2 3.58Å; L207-R237 HydrophobicContact CB-CB 4Å; L207-R237 HydrophobicContact CD1-CB 3.96Å; L207-C239 HydrophobicContact CD2-CB 3.98Å; L207-Y246 HydrophobicContact CD1-CD2 3.46Å; L207-Y246 VanDerWaalsContact CD1-CD2 3.46Å; L207-Y246 HydrophobicContact CD1-CE2 4Å; L207-Y246 HydrophobicContact CD1-CG 3.93Å; L207-Y246 HydrophobicContact CD2-CD2 3.85Å; L207-Y246 HydrophobicContact CD2-CE2 3.65Å; L207-Y246 HydrophobicContact CG-CD2 4.32Å
208S65.6Low56.6Low6 Ų667.7 Ų67.74%0.04239%0.386CS..PPolyproline II helixtrans-52.1153.4169.477.20000111.1R237 Y238S208-R237 WeakPolarHBondContact O-CG 3.43Å; S208-Y238 PolarHBondContact N-O 3.4Å; S208-Y238 WeakPolarHBondContact OG-CD1 3.15Å; S208-Y238 WeakPolarHBondContact OG-CE1 3.49Å; S208-Y238 PolarHBondContact OG-N 3.02Å
209G63Low56.4Low50 Ų5071.2 Ų71.252%0.51541%0.411SS..PPolyproline II helixtrans-52.6158.916400000110.7I211G209-I211 WeakPolarHBondContact O-CG1 3.32Å; G209-I211 PolarHBondContact O-N 3.22Å; G209-I211 VanDerWaalsContact O-N 3.16Å
210P65.4Low56.1Low69 Ų6971 Ų7145%0.44841%0.412SS..PPolyproline II helixtrans-64.7119.8177.130.9-35.4000108.3M235 V236 R237P210-M235 HydrophobicContact CB-CB 4.34Å; P210-M235 HydrophobicContact CB-CE 3.54Å; P210-M235 HydrophobicContact CG-CE 4.14Å; P210-M235 VanDerWaalsContact O-CE 3.22Å; P210-M235 WeakPolarHBondContact O-CE 3.48Å; P210-V236 WeakPolarHBondContact CA-O 3.18Å; P210-R237 HydrophobicContact CB-CG 4.43Å
211I69.3Low56Low68 Ų6878.3 Ų78.335%0.34944%0.443SS..EExtended strand (participates in β ladder)trans-109.4138.9178.7-57.3177.2000108.5G209 F213 V236 Y238G209-I211 WeakPolarHBondContact O-CG1 3.32Å; G209-I211 PolarHBondContact O-N 3.22Å; G209-I211 VanDerWaalsContact O-N 3.16Å; I211-F213 HydrophobicContact CB-CD2 4.4Å; I211-F213 HydrophobicContact CB-CE2 4.03Å; I211-F213 HydrophobicContact CG2-CD2 4.16Å; I211-F213 HydrophobicContact CG2-CE2 3.85Å; I211-V236 PolarHBondContact N-O 3.21Å; I211-V236 PolarHBondContact O-N 3.36Å; I211-Y238 HydrophobicContact CD1-CD1 4.21Å; I211-Y238 HydrophobicContact CD1-CE1 3.6Å
212Q68.5Low55.5Low125 Ų12581.4 Ų81.458%0.58446%0.459SS*.EExtended strand (participates in β ladder)trans-80.2119.1176.6-161.4-175.6-39.300109.9P233 M235Q212-P233 HydrophobicContact CG-CB 3.33Å; Q212-P233 HydrophobicContact CG-CG 3.96Å; Q212-P233 VanDerWaalsContact NE2-CB 3.32Å; Q212-P233 VanDerWaalsContact NE2-CG 3.31Å; Q212-M235 HydrophobicContact CB-SD 4.11Å; Q212-M235 HydrophobicContact CG-SD 4.28Å
213F59.7Low54.9Low61 Ų6186.3 Ų86.327%0.26848%0.477SS..EExtended strand (participates in β ladder)trans-109.5133.2169.8-80.3-97.2000110.5I211 K215 P217 I234 V236I211-F213 HydrophobicContact CB-CD2 4.4Å; I211-F213 HydrophobicContact CB-CE2 4.03Å; I211-F213 HydrophobicContact CG2-CD2 4.16Å; I211-F213 HydrophobicContact CG2-CE2 3.85Å; F213-K215 WeakPolarHBondContact CD1-O 3.23Å; F213-P217 HydrophobicContact CD1-CG 4.13Å; F213-P217 HydrophobicContact CE1-CG 3.64Å; F213-P217 HydrophobicContact CZ-CG 4.04Å; F213-I234 PolarHBondContact N-O 3.29Å; F213-V236 HydrophobicContact CD2-CG2 3.23Å; F213-V236 HydrophobicContact CE2-CG2 3.44Å; F213-V236 VanDerWaalsContact CE2-CG2 3.44Å; F213-V236 HydrophobicContact CG-CG2 4.24Å
214E56.6Low54.2Low191 Ų19189.1 Ų89.189%0.89348%0.477SS*.SBendtrans-72.7-33.6168.8-67.1-175.316900111.3
215K54.9Low53.3Low183 Ų18392.5 Ų92.580%0.79650%0.499SS*.SBendtrans-142.3141.1171.2-77.6-177.7177.8176.60109.6F213F213-K215 WeakPolarHBondContact CD1-O 3.23Å
216L52.1Low52.6Low59 Ų5992.7 Ų92.731%0.30950%0.501SS..  trans-56.8139173.5-98.1129.7000110.7S218 A220 L222 I234 V245L216-S218 PolarHBondContact O-N 2.83Å; L216-A220 HydrophobicContact CD2-CB 3.58Å; L216-L222 HydrophobicContact CD1-CD1 4.02Å; L216-L222 HydrophobicContact CD2-CD1 3.27Å; L216-L222 HydrophobicContact CD2-CG 4.48Å; L216-L222 HydrophobicContact CG-CD1 4.29Å; L216-I234 HydrophobicContact CD1-CD1 3.9Å; L216-V245 HydrophobicContact CD2-CG1 4.2Å
217P51.1Low51.6Low36 Ų3696.9 Ų96.923%0.23452%0.519CS..  trans-54.4140.9173.8-21.129.9000110.6F213 S219 A220F213-P217 HydrophobicContact CD1-CG 4.13Å; F213-P217 HydrophobicContact CE1-CG 3.64Å; F213-P217 HydrophobicContact CZ-CG 4.04Å; P217-S219 PolarHBondContact O-N 2.69Å; P217-S219 VanDerWaalsContact O-N 3.13Å; P217-A220 HydrophobicContact CB-CB 4.36Å; P217-A220 WeakPolarHBondContact O-CB 3.36Å; P217-A220 PolarHBondContact O-N 2.63Å
218S52.3Low50.7Low136 Ų136104 Ų10495%0.95156%0.557SS**THydrogen-bonded Turntrans-61.4-20.1175.237.10000113.4L216 A220L216-S218 PolarHBondContact O-N 2.83Å; S218-A220 VanDerWaalsContact C-N 3.33Å
219S48.1Very low49.5Very low94 Ų94113.1 Ų113.166%0.65760%0.596SS**THydrogen-bonded Turntrans-78.5-13.8171.356.60000113.9P217 K221P217-S219 PolarHBondContact O-N 2.69Å; P217-S219 VanDerWaalsContact O-N 3.13Å; S219-K221 PolarHBondContact O-N 3.35Å
220A46Very low48.6Very low18 Ų18117 Ų11715%0.14960%0.604CS.*  trans-78.2107.3177.500000109.2L216 P217 S218 L222 V245L216-A220 HydrophobicContact CD2-CB 3.58Å; P217-A220 HydrophobicContact CB-CB 4.36Å; P217-A220 WeakPolarHBondContact O-CB 3.36Å; P217-A220 PolarHBondContact O-N 2.63Å; S218-A220 VanDerWaalsContact C-N 3.33Å; A220-L222 VanDerWaalsContact C-N 3.29Å; A220-L222 PolarHBondContact O-N 3.44Å; A220-V245 HydrophobicContact CB-CB 4.11Å; A220-V245 HydrophobicContact CB-CG2 3.87Å
221K44.7Very low47.5Very low176 Ų176118.8 Ų118.877%0.76562%0.616SS**  trans-73.586.8169.4-67-174.2-179.1-1770108.6S219S219-K221 PolarHBondContact O-N 3.35Å
222L43.2Very low46.5Very low65 Ų65124.5 Ų124.534%0.3464%0.638SS.*  trans-107.9123.8163.5-107.4143.7000107.6L216 A220 E224L216-L222 HydrophobicContact CD1-CD1 4.02Å; L216-L222 HydrophobicContact CD2-CD1 3.27Å; L216-L222 HydrophobicContact CD2-CG 4.48Å; L216-L222 HydrophobicContact CG-CD1 4.29Å; A220-L222 VanDerWaalsContact C-N 3.29Å; A220-L222 PolarHBondContact O-N 3.44Å; L222-E224 PolarHBondContact O-N 3.2Å
223K40.5Very low45.7Very low136 Ų136121.8 Ų121.859%0.59163%0.631SS**  trans-55.2122.6167.7-98.8-179.1174.9175.70107.9C225K223-C225 PolarHBondContact O-N 2.68Å
224E35.3Very low45.9Very low178 Ų178121.1 Ų121.183%0.83263%0.63SS**  trans-48.5106.8171.7-72.1179.6155.500108.8L222 N226L222-E224 PolarHBondContact O-N 3.2Å; E224-N226 VanDerWaalsContact C-N 3.34Å; E224-N226 PolarHBondContact O-N 2.83Å
225C35.2Very low46.4Very low88 Ų88115.1 Ų115.160%0.59560%0.603SS**  trans-75.298.8168.3-169.70000105.5K223 N227 K249K223-C225 PolarHBondContact O-N 2.68Å; C225-N227 VanDerWaalsContact C-N 3.29Å; C225-N227 PolarHBondContact O-N 2.95Å; C225-K249 PolarHBondContact SG-NZ 2.99Å
226N36.4Very low47.2Very low138 Ų138106.4 Ų106.474%0.73857%0.565SS**  trans-48.497164.8-81.8-24.3000108.6E224E224-N226 VanDerWaalsContact C-N 3.34Å; E224-N226 PolarHBondContact O-N 2.83Å
227N38Very low48Very low147 Ų147106.8 Ų106.879%0.78656%0.562SS**  trans-179.6110.7143.2-86.9-21.2000109C225C225-N227 VanDerWaalsContact C-N 3.29Å; C225-N227 PolarHBondContact O-N 2.95Å
228N37.8Very low48.8Very low160 Ų160108.1 Ų108.186%0.85656%0.563SS**SBendtrans-44.2139.5173-65.3-39.2000112.4
229K41.5Very low49.2Very low198 Ų198101.6 Ų101.686%0.86152%0.518SS*.  trans86.472.3179.9-53.9175.9179.1179.20114.3P231K229-P231 VanDerWaalsContact O-CD 3.31Å; K229-P231 WeakPolarHBondContact O-CD 3.34Å
230L44Very low50.1Low131 Ų131102.6 Ų102.669%0.68651%0.51SS*.  trans-82.2112.4155.8-141.283.7000108.1I234L230-I234 HydrophobicContact CD2-CD1 3.21Å; L230-I234 HydrophobicContact CD2-CG1 3.4Å; L230-I234 VanDerWaalsContact CD2-CG1 3.4Å
231P42.8Very low50.8Low106 Ų106106.2 Ų106.269%0.68853%0.53SS*.  trans-84.8134.4174.730.6-21.6000108.5K229K229-P231 VanDerWaalsContact O-CD 3.31Å; K229-P231 WeakPolarHBondContact O-CD 3.34Å
232K47.8Very low51.9Low188 Ų188100 Ų10082%0.81751%0.509SS*.SBendtrans71.6154.5163.6-72.1176-179.9179.70115.3
233P52.5Low53.3Low68 Ų68102.1 Ų102.144%0.44252%0.52SS..PPolyproline II helixtrans-56.7140.4-16821.6-37.4000113.5Q212Q212-P233 HydrophobicContact CG-CB 3.33Å; Q212-P233 HydrophobicContact CG-CG 3.96Å; Q212-P233 VanDerWaalsContact NE2-CB 3.32Å; Q212-P233 VanDerWaalsContact NE2-CG 3.31Å
234I62.9Low54.5Low47 Ų4799.6 Ų99.624%0.24151%0.51CS..EExtended strand (participates in β ladder)trans-88123.1177.6-49.2172.8000107.7F213 L216 L230 V236 D247F213-I234 PolarHBondContact N-O 3.29Å; L216-I234 HydrophobicContact CD1-CD1 3.9Å; L230-I234 HydrophobicContact CD2-CD1 3.21Å; L230-I234 HydrophobicContact CD2-CG1 3.4Å; L230-I234 VanDerWaalsContact CD2-CG1 3.4Å; I234-V236 HydrophobicContact CB-CG1 4.35Å; I234-V236 HydrophobicContact CG2-CG1 3.71Å; I234-D247 HydrophobicContact CG2-CB 3.98Å
235M68.1Low56.1Low65 Ų6591.8 Ų91.832%0.3247%0.474SS..EExtended strand (participates in β ladder)trans-77.9121.9166.7-61.8-53.9-63.800108.2P210 Q212P210-M235 HydrophobicContact CB-CB 4.34Å; P210-M235 HydrophobicContact CB-CE 3.54Å; P210-M235 HydrophobicContact CG-CE 4.14Å; P210-M235 VanDerWaalsContact O-CE 3.22Å; P210-M235 WeakPolarHBondContact O-CE 3.48Å; Q212-M235 HydrophobicContact CB-SD 4.11Å; Q212-M235 HydrophobicContact CG-SD 4.28Å
236V71.3Confident57.5Low1 Ų188.3 Ų88.31%0.00645%0.449CS..EExtended strand (participates in β ladder)trans-125.7150.1175.8-53.20000110.1P210 I211 F213 I234 V245 Y246 D247P210-V236 WeakPolarHBondContact CA-O 3.18Å; I211-V236 PolarHBondContact N-O 3.21Å; I211-V236 PolarHBondContact O-N 3.36Å; F213-V236 HydrophobicContact CD2-CG2 3.23Å; F213-V236 HydrophobicContact CE2-CG2 3.44Å; F213-V236 VanDerWaalsContact CE2-CG2 3.44Å; F213-V236 HydrophobicContact CG-CG2 4.24Å; I234-V236 HydrophobicContact CB-CG1 4.35Å; I234-V236 HydrophobicContact CG2-CG1 3.71Å; V236-V245 HydrophobicContact CB-CG1 3.54Å; V236-V245 HydrophobicContact CG1-CG1 3.95Å; V236-V245 HydrophobicContact CG2-CG1 3.71Å; V236-Y246 WeakPolarHBondContact CA-O 3.33Å; V236-D247 HydrophobicContact CG1-CB 3.99Å
237R69.2Low58.9Low66 Ų6682.6 Ų82.625%0.24942%0.418CS..EExtended strand (participates in β ladder)trans-110.3151.9168.9-61.2174.5-175.872.1-0.8107.5L207 S208 P210 V245 Y246 D248 I251L207-R237 HydrophobicContact CB-CB 4Å; L207-R237 HydrophobicContact CD1-CB 3.96Å; S208-R237 WeakPolarHBondContact O-CG 3.43Å; P210-R237 HydrophobicContact CB-CG 4.43Å; R237-V245 CarbonylContact O-C 3.56Å; R237-V245 WeakPolarHBondContact O-CA 2.95Å; R237-Y246 PolarHBondContact N-O 2.89Å; R237-Y246 PolarHBondContact O-N 3.34Å; R237-D248 IonicContact CZ-OD1 2.86Å; R237-D248 IonicContact NH1-OD1 3.77Å; R237-D248 PolarHBondContact NH1-OD1 3.4Å; R237-D248 IonicContact NH2-OD1 3.46Å; R237-I251 VanDerWaalsContact NH1-CD1 3.27Å
238Y66.5Low60.2Low64 Ų6478.6 Ų78.625%0.25140%0.397SS..EExtended strand (participates in β ladder)trans-134.6156.1173.572.9-89.2000112.3S208 I211 F240 L243 Q244S208-Y238 PolarHBondContact N-O 3.4Å; S208-Y238 WeakPolarHBondContact OG-CD1 3.15Å; S208-Y238 WeakPolarHBondContact OG-CE1 3.49Å; S208-Y238 PolarHBondContact OG-N 3.02Å; I211-Y238 HydrophobicContact CD1-CD1 4.21Å; I211-Y238 HydrophobicContact CD1-CE1 3.6Å; Y238-F240 AromaticContact CE2-CD1 3.61Å; Y238-F240 HydrophobicContact CE2-CD1 3.61Å; Y238-F240 AromaticContact CE2-CE1 3.84Å; Y238-F240 HydrophobicContact CE2-CE1 3.84Å; Y238-F240 HydrophobicContact CE2-CG 4.33Å; Y238-F240 AromaticContact CZ-CD1 3.94Å; Y238-F240 AromaticContact CZ-CE1 3.69Å; Y238-F240 WeakPolarHBondContact OH-CE1 3.36Å; Y238-L243 HydrophobicContact CD2-CD2 4.36Å; Y238-L243 HydrophobicContact CE2-CD2 4.41Å; Y238-Q244 CarbonylContact C-O 3.5Å; Y238-Q244 WeakPolarHBondContact CA-O 2.97Å; Y238-Q244 WeakPolarHBondContact CB-O 3.1Å
239C61.8Low61.3Low0 Ų076.3 Ų76.30%038%0.379CS..  trans-82.6124.3174.2179.40000110.3C201 L207 V241 C242 L243 Q244 Y246C201-C239 HydrophobicContact CB-CB 3.55Å; C201-C239 WeakPolarHBondContact CB-SG 3.29Å; C201-C239 PolarHBondContact O-SG 3.27Å; C201-C239 VanDerWaalsContact O-SG 3.32Å; L207-C239 HydrophobicContact CD2-CB 3.98Å; C239-V241 PolarHBondContact O-N 3.29Å; C239-V241 PolarHBondContact SG-N 3.04Å; C239-C242 WeakPolarHBondContact CB-SG 3.3Å; C239-C242 PolarHBondContact SG-N 3.27Å; C239-C242 VanDerWaalsContact SG-N 3.39Å; C239-C242 PolarHBondContact SG-SG 3.42Å; C239-L243 WeakPolarHBondContact O-CA 3.04Å; C239-L243 PolarHBondContact O-N 3.11Å; C239-Q244 PolarHBondContact N-O 2.85Å; C239-Y246 HydrophobicContact CB-CE2 4.29Å
240F66.5Low62.3Low115 Ų11568.6 Ų68.650%0.50435%0.348SS..THydrogen-bonded Turntrans-64.7-19.5176.3-60.2-77.8000113.8Y238Y238-F240 AromaticContact CE2-CD1 3.61Å; Y238-F240 HydrophobicContact CE2-CD1 3.61Å; Y238-F240 AromaticContact CE2-CE1 3.84Å; Y238-F240 HydrophobicContact CE2-CE1 3.84Å; Y238-F240 HydrophobicContact CE2-CG 4.33Å; Y238-F240 AromaticContact CZ-CD1 3.94Å; Y238-F240 AromaticContact CZ-CE1 3.69Å; Y238-F240 WeakPolarHBondContact OH-CE1 3.36Å
241V61.1Low62.8Low94 Ų9463.5 Ų63.557%0.5732%0.32SS*.THydrogen-bonded Turntrans-92.6-52.8-175.8-177.50000112.1C202 C239C202-V241 HydrophobicContact CB-CB 3.62Å; C202-V241 HydrophobicContact CB-CG1 3.66Å; C202-V241 HydrophobicContact CB-CG2 4.28Å; C239-V241 PolarHBondContact O-N 3.29Å; C239-V241 PolarHBondContact SG-N 3.04Å
242C68Low63.3Low46 Ų4662.8 Ų62.831%0.31131%0.311SS..THydrogen-bonded Turntrans-102.5-0.9-178.568.70000113.9C201 C202 C239 Q244C201-C242 PolarHBondContact SG-SG 3.03Å; C202-C242 VanDerWaalsContact SG-CB 3.53Å; C202-C242 VanDerWaalsContact SG-SG 3.61Å; C239-C242 WeakPolarHBondContact CB-SG 3.3Å; C239-C242 PolarHBondContact SG-N 3.27Å; C239-C242 VanDerWaalsContact SG-N 3.39Å; C239-C242 PolarHBondContact SG-SG 3.42Å; C242-Q244 HydrophobicContact CB-CG 4.31Å; C242-Q244 PolarHBondContact O-N 3.2Å; C242-Q244 VanDerWaalsContact SG-CB 3.55Å; C242-Q244 WeakPolarHBondContact SG-CG 3.41Å
243L71Confident63.5Low109 Ų10959.4 Ų59.457%0.57129%0.293SS*.  trans57.714.8-179.5-54.2176.7000114.4Y238 C239Y238-L243 HydrophobicContact CD2-CD2 4.36Å; Y238-L243 HydrophobicContact CE2-CD2 4.41Å; C239-L243 WeakPolarHBondContact O-CA 3.04Å; C239-L243 PolarHBondContact O-N 3.11Å
244Q66.1Low63.3Low82 Ų8256.7 Ų56.738%0.38328%0.275SS..  trans-64.4138173.7-73-65.8-17.100110.4Y238 C239 C242 Y246Y238-Q244 CarbonylContact C-O 3.5Å; Y238-Q244 WeakPolarHBondContact CA-O 2.97Å; Y238-Q244 WeakPolarHBondContact CB-O 3.1Å; C239-Q244 PolarHBondContact N-O 2.85Å; C242-Q244 HydrophobicContact CB-CG 4.31Å; C242-Q244 PolarHBondContact O-N 3.2Å; C242-Q244 VanDerWaalsContact SG-CB 3.55Å; C242-Q244 WeakPolarHBondContact SG-CG 3.41Å; Q244-Y246 HydrophobicContact CB-CE2 3.94Å; Q244-Y246 WeakPolarHBondContact O-CE2 3.36Å
245V68.7Low62.6Low14 Ų1455.1 Ų55.19%0.08527%0.269CS..EExtended strand (participates in β ladder)trans-106134.2-176.5-177.10000109.3L216 A220 V236 R237L216-V245 HydrophobicContact CD2-CG1 4.2Å; A220-V245 HydrophobicContact CB-CB 4.11Å; A220-V245 HydrophobicContact CB-CG2 3.87Å; V236-V245 HydrophobicContact CB-CG1 3.54Å; V236-V245 HydrophobicContact CG1-CG1 3.95Å; V236-V245 HydrophobicContact CG2-CG1 3.71Å; R237-V245 CarbonylContact O-C 3.56Å; R237-V245 WeakPolarHBondContact O-CA 2.95Å
246Y65.2Low61.6Low15 Ų1557 Ų576%0.05928%0.28CS..EExtended strand (participates in β ladder)trans-122.3104.8-177.2-57.7-81.3000108.5C201 L207 V236 R237 C239 Q244 L250 L310C201-Y246 HydrophobicContact CB-CE2 4.11Å; C201-Y246 PolarHBondContact SG-OH 3.22Å; L207-Y246 HydrophobicContact CD1-CD2 3.46Å; L207-Y246 VanDerWaalsContact CD1-CD2 3.46Å; L207-Y246 HydrophobicContact CD1-CE2 4Å; L207-Y246 HydrophobicContact CD1-CG 3.93Å; L207-Y246 HydrophobicContact CD2-CD2 3.85Å; L207-Y246 HydrophobicContact CD2-CE2 3.65Å; L207-Y246 HydrophobicContact CG-CD2 4.32Å; V236-Y246 WeakPolarHBondContact CA-O 3.33Å; R237-Y246 PolarHBondContact N-O 2.89Å; R237-Y246 PolarHBondContact O-N 3.34Å; C239-Y246 HydrophobicContact CB-CE2 4.29Å; Q244-Y246 HydrophobicContact CB-CE2 3.94Å; Q244-Y246 WeakPolarHBondContact O-CE2 3.36Å; Y246-L250 HydrophobicContact CD1-CD2 3.87Å; Y246-L250 HydrophobicContact CE1-CD2 4.5Å; Y246-L310 HydrophobicContact CD1-CD1 3.95Å; Y246-L310 HydrophobicContact CD1-CD2 3.71Å; Y246-L310 HydrophobicContact CD1-CG 4.13Å; Y246-L310 HydrophobicContact CE1-CD1 3.37Å; Y246-L310 HydrophobicContact CE1-CD2 3.84Å; Y246-L310 HydrophobicContact CE1-CG 3.71Å; Y246-L310 HydrophobicContact CG-CD2 4.28Å
247D66.6Low60.3Low18 Ų1861.9 Ų61.910%0.09631%0.306CS..EExtended strand (participates in β ladder)trans-79.5161.8170.369.110.6000111I234 V236 K249 L250 I251I234-D247 HydrophobicContact CG2-CB 3.98Å; V236-D247 HydrophobicContact CG1-CB 3.99Å; D247-K249 PolarHBondContact O-N 2.99Å; D247-K249 PolarHBondContact OD1-N 3.44Å; D247-L250 PolarHBondContact O-N 3.19Å; D247-L250 WeakPolarHBondContact OD1-CB 3.48Å; D247-L250 PolarHBondContact OD1-N 3.26Å; D247-I251 VanDerWaalsContact O-CG1 3.31Å; D247-I251 WeakPolarHBondContact O-CG1 3.43Å; D247-I251 PolarHBondContact O-N 3.45Å
248D64.4Low58.9Low64 Ų6459.7 Ų59.734%0.34230%0.3SS..Hα-helixtrans-60.4-26.8179.2-73.5-24.1000112.2R237 N252R237-D248 IonicContact CZ-OD1 2.86Å; R237-D248 IonicContact NH1-OD1 3.77Å; R237-D248 PolarHBondContact NH1-OD1 3.4Å; R237-D248 IonicContact NH2-OD1 3.46Å; D248-N252 WeakPolarHBondContact O-CB 3.34Å; D248-N252 PolarHBondContact O-N 2.88Å; D248-N252 PolarHBondContact O-ND2 3.46Å
249K62.1Low57.6Low111 Ų11160.2 Ų60.248%0.48330%0.302SS..Hα-helixtrans-69.7-42.9177.8-173-179.2-179.1179.70111.8C225 D247 R253C225-K249 PolarHBondContact SG-NZ 2.99Å; D247-K249 PolarHBondContact O-N 2.99Å; D247-K249 PolarHBondContact OD1-N 3.44Å; K249-R253 VanDerWaalsContact O-CB 3.3Å; K249-R253 WeakPolarHBondContact O-CB 3.08Å; K249-R253 PolarHBondContact O-N 3.41Å
250L60.8Low56.2Low37 Ų3761.1 Ų61.119%0.19431%0.311CS..Hα-helixtrans-67.9-44.4175.4178.659.6000109.8Y246 D247 N252 R253 I254Y246-L250 HydrophobicContact CD1-CD2 3.87Å; Y246-L250 HydrophobicContact CE1-CD2 4.5Å; D247-L250 PolarHBondContact O-N 3.19Å; D247-L250 WeakPolarHBondContact OD1-CB 3.48Å; D247-L250 PolarHBondContact OD1-N 3.26Å; L250-N252 PolarHBondContact O-N 2.91Å; L250-R253 PolarHBondContact O-N 2.75Å; L250-I254 HydrophobicContact CD1-CD1 3.91Å; L250-I254 HydrophobicContact CD1-CG1 4.2Å; L250-I254 HydrophobicContact CG-CD1 3.75Å; L250-I254 HydrophobicContact CG-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CB 3.24Å; L250-I254 WeakPolarHBondContact O-CD1 3.45Å; L250-I254 WeakPolarHBondContact O-CG1 3.49Å; L250-I254 PolarHBondContact O-N 3.35Å
251I54.7Low54.5Low23 Ų2366.1 Ų66.112%0.11833%0.333CS..Hα-helixtrans-58.6-48.9175.3-67.4167.6000110.3L199 R237 D247 R253 I254 A255L199-I251 HydrophobicContact CD1-CB 4.41Å; L199-I251 HydrophobicContact CD1-CD1 3.62Å; L199-I251 HydrophobicContact CD1-CG1 3.68Å; L199-I251 HydrophobicContact CD1-CG2 3.86Å; R237-I251 VanDerWaalsContact NH1-CD1 3.27Å; D247-I251 VanDerWaalsContact O-CG1 3.31Å; D247-I251 WeakPolarHBondContact O-CG1 3.43Å; D247-I251 PolarHBondContact O-N 3.45Å; I251-R253 VanDerWaalsContact C-N 3.34Å; I251-R253 PolarHBondContact O-N 3.3Å; I251-I254 PolarHBondContact O-N 3.15Å; I251-A255 WeakPolarHBondContact O-CB 3.26Å; I251-A255 PolarHBondContact O-N 2.96Å
252N53.1Low53.2Low92 Ų9266.9 Ų66.949%0.49234%0.338SS..Hα-helixtrans-64.2-38177.6-74-22.1000111.8D248 L250 A255 D256D248-N252 WeakPolarHBondContact O-CB 3.34Å; D248-N252 PolarHBondContact O-N 2.88Å; D248-N252 PolarHBondContact O-ND2 3.46Å; L250-N252 PolarHBondContact O-N 2.91Å; N252-A255 CarbonylContact O-C 3.55Å; N252-A255 PolarHBondContact O-N 2.79Å; N252-D256 VanDerWaalsContact O-CB 3.22Å; N252-D256 WeakPolarHBondContact O-CB 3.42Å; N252-D256 PolarHBondContact O-N 3.38Å
253R51.9Low51.4Low116 Ų11673.3 Ų73.344%0.43836%0.363SS..Hα-helixtrans-66.1-41.4176-167.7-173.9-48.1159.713.8112.2K249 L250 I251 D256 N257K249-R253 VanDerWaalsContact O-CB 3.3Å; K249-R253 WeakPolarHBondContact O-CB 3.08Å; K249-R253 PolarHBondContact O-N 3.41Å; L250-R253 PolarHBondContact O-N 2.75Å; I251-R253 VanDerWaalsContact C-N 3.34Å; I251-R253 PolarHBondContact O-N 3.3Å; R253-D256 PolarHBondContact O-N 3.25Å; R253-N257 WeakPolarHBondContact O-CB 3.49Å; R253-N257 PolarHBondContact O-N 3.49Å
254I49.5Very low49.4Very low11 Ų1173.6 Ų73.66%0.05637%0.369CS..Hα-helixtrans-63.9-48.4174.3-68.8159.7000109L250 I251 D256 N257 L258 Y307 L310 F311L250-I254 HydrophobicContact CD1-CD1 3.91Å; L250-I254 HydrophobicContact CD1-CG1 4.2Å; L250-I254 HydrophobicContact CG-CD1 3.75Å; L250-I254 HydrophobicContact CG-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CB 3.24Å; L250-I254 WeakPolarHBondContact O-CD1 3.45Å; L250-I254 WeakPolarHBondContact O-CG1 3.49Å; L250-I254 PolarHBondContact O-N 3.35Å; I251-I254 PolarHBondContact O-N 3.15Å; I254-D256 VanDerWaalsContact C-N 3.33Å; I254-D256 PolarHBondContact O-N 3.05Å; I254-N257 PolarHBondContact O-N 3.28Å; I254-L258 HydrophobicContact CG2-CD1 3.57Å; I254-L258 HydrophobicContact CG2-CG 4.35Å; I254-L258 VanDerWaalsContact O-CB 3.28Å; I254-L258 WeakPolarHBondContact O-CB 3.31Å; I254-L258 WeakPolarHBondContact O-CD1 3.39Å; I254-L258 WeakPolarHBondContact O-CG 3.13Å; I254-L258 PolarHBondContact O-N 3.43Å; I254-Y307 HydrophobicContact CG1-CE1 4.29Å; I254-Y307 HydrophobicContact CG2-CD1 4.11Å; I254-Y307 HydrophobicContact CG2-CE1 4.33Å; I254-L310 HydrophobicContact CD1-CD1 3.47Å; I254-L310 VanDerWaalsContact CD1-CD1 3.47Å; I254-L310 HydrophobicContact CD1-CD2 3.96Å; I254-L310 HydrophobicContact CD1-CG 4.27Å; I254-F311 HydrophobicContact CG2-CE2 3.49Å; I254-F311 VanDerWaalsContact CG2-CE2 3.49Å; I254-F311 HydrophobicContact CG2-CZ 3.84Å
255A47.8Very low47.6Very low15 Ų1577 Ų7712%0.12439%0.385CS..Hα-helixtrans-57.9-43.1175.700000111.3I251 N252 L258 Y259I251-A255 WeakPolarHBondContact O-CB 3.26Å; I251-A255 PolarHBondContact O-N 2.96Å; N252-A255 CarbonylContact O-C 3.55Å; N252-A255 PolarHBondContact O-N 2.79Å; A255-L258 CarbonylContact O-C 3.53Å; A255-L258 PolarHBondContact O-N 2.98Å; A255-Y259 HydrophobicContact CB-CD2 3.6Å; A255-Y259 HydrophobicContact CB-CE2 3.62Å; A255-Y259 WeakPolarHBondContact O-CA 3.46Å; A255-Y259 WeakPolarHBondContact O-CB 3.35Å; A255-Y259 WeakPolarHBondContact O-CD2 3.32Å; A255-Y259 PolarHBondContact O-N 2.77Å
256D46.7Very low46Very low104 Ų10480.3 Ų80.356%0.55641%0.409SS*.Hα-helixtrans-71.2-36.3177.7-73.7-24.6000111.6N252 R253 I254 L258 G260N252-D256 VanDerWaalsContact O-CB 3.22Å; N252-D256 WeakPolarHBondContact O-CB 3.42Å; N252-D256 PolarHBondContact O-N 3.38Å; R253-D256 PolarHBondContact O-N 3.25Å; I254-D256 VanDerWaalsContact C-N 3.33Å; I254-D256 PolarHBondContact O-N 3.05Å; D256-L258 PolarHBondContact O-N 2.92Å; D256-G260 WeakPolarHBondContact O-CA 3.49Å; D256-G260 PolarHBondContact O-N 2.79Å
257N43.9Very low44.5Very low103 Ų10384.4 Ų84.455%0.55143%0.432SS*.Hα-helixtrans-65-30.4171.6-73.3-10.2000111.3R253 I254 Y307R253-N257 WeakPolarHBondContact O-CB 3.49Å; R253-N257 PolarHBondContact O-N 3.49Å; I254-N257 PolarHBondContact O-N 3.28Å; N257-Y307 PolarHBondContact ND2-OH 2.88Å
258L40.6Very low42.8Very low21 Ų2184.5 Ų84.511%0.1143%0.433CS..Hα-helixtrans-90.6-34.5-178.2-69.5172.7000113.9I254 A255 D256 F311 Y318 R325I254-L258 HydrophobicContact CG2-CD1 3.57Å; I254-L258 HydrophobicContact CG2-CG 4.35Å; I254-L258 VanDerWaalsContact O-CB 3.28Å; I254-L258 WeakPolarHBondContact O-CB 3.31Å; I254-L258 WeakPolarHBondContact O-CD1 3.39Å; I254-L258 WeakPolarHBondContact O-CG 3.13Å; I254-L258 PolarHBondContact O-N 3.43Å; A255-L258 CarbonylContact O-C 3.53Å; A255-L258 PolarHBondContact O-N 2.98Å; D256-L258 PolarHBondContact O-N 2.92Å; L258-F311 HydrophobicContact CD1-CD2 3.79Å; L258-F311 HydrophobicContact CD1-CE1 4.36Å; L258-F311 HydrophobicContact CD1-CE2 3.05Å; L258-F311 HydrophobicContact CD1-CZ 3.39Å; L258-Y318 HydrophobicContact CB-CD2 4.18Å; L258-Y318 HydrophobicContact CB-CE2 3.65Å; L258-Y318 HydrophobicContact CD1-CD2 4.34Å; L258-Y318 HydrophobicContact CD1-CE2 4.18Å; L258-Y318 HydrophobicContact CD2-CD2 4.44Å; L258-Y318 HydrophobicContact CD2-CE1 4.42Å; L258-Y318 HydrophobicContact CD2-CE2 3.54Å; L258-Y318 VanDerWaalsContact CD2-CZ 3.49Å; L258-Y318 VanDerWaalsContact CD2-OH 3.26Å; L258-Y318 WeakPolarHBondContact CD2-OH 3.45Å; L258-Y318 HydrophobicContact CG-CE2 3.96Å; L258-R325 PolarHBondContact O-NH1 2.8Å; L258-R325 PolarHBondContact O-NH2 3.44Å
259Y38.5Very low41.4Very low74 Ų7486.4 Ų86.429%0.2944%0.443SS..Hα-helixtrans-110.4-26-174.1-55.5-50.7000112.2A255 Y318 R325A255-Y259 HydrophobicContact CB-CD2 3.6Å; A255-Y259 HydrophobicContact CB-CE2 3.62Å; A255-Y259 WeakPolarHBondContact O-CA 3.46Å; A255-Y259 WeakPolarHBondContact O-CB 3.35Å; A255-Y259 WeakPolarHBondContact O-CD2 3.32Å; A255-Y259 PolarHBondContact O-N 2.77Å; Y259-Y318 HydrophobicContact CE1-CD2 4.12Å; Y259-R325 PolarHBondContact O-NH2 3.42Å
260G33.5Very low40.2Very low20 Ų2084.5 Ų84.521%0.20644%0.441CS..SBendtrans-66.4159.8-165.300000114.5D256 T262D256-G260 WeakPolarHBondContact O-CA 3.49Å; D256-G260 PolarHBondContact O-N 2.79Å; G260-T262 PolarHBondContact O-N 3.18Å
261K30Very low39Very low219 Ų21984.4 Ų84.495%0.95245%0.446SS*.  trans-65.786.2-168.4-65.4173.9176.6177.10111.4
262T33.6Very low38.1Very low111 Ų11184.8 Ų84.868%0.68145%0.448SS*.  trans-110.1110.2169.245.10000109.5G260 V264G260-T262 PolarHBondContact O-N 3.18Å; T262-V264 VanDerWaalsContact C-N 3.33Å; T262-V264 PolarHBondContact O-N 2.73Å
263E30.5Very low37.4Very low181 Ų18182.7 Ų82.785%0.84644%0.436SS*.SBendtrans-36.7103147.9-65.7172.1161.600108.4H265E263-H265 PolarHBondContact O-N 2.83Å
264V29Very low36.8Very low114 Ų11477.7 Ų77.769%0.69142%0.42SS*.SBendtrans7.473.2169.5-164.40000114.7T262T262-V264 VanDerWaalsContact C-N 3.33Å; T262-V264 PolarHBondContact O-N 2.73Å
265H29.1Very low36.2Very low153 Ų15378.2 Ų78.271%0.70842%0.423SS*.  trans-107.1102.8160.3-96.8-86.9000108E263 D267E263-H265 PolarHBondContact O-N 2.83Å; H265-D267 PolarHBondContact O-N 3.16Å
266S34.3Very low35.7Very low85 Ų8579.4 Ų79.459%0.59443%0.427SS*.  trans-73.253.4-177.256.10000112.2V268S266-V268 PolarHBondContact O-N 2.8Å
267D33.2Very low35.2Very low100 Ų10075.5 Ų75.554%0.53541%0.405SS..  trans-73119.4-179.4-89.1-23.7000111.3H265 D269 T270H265-D267 PolarHBondContact O-N 3.16Å; D267-D269 PolarHBondContact O-N 2.9Å; D267-T270 WeakPolarHBondContact O-CB 3.4Å; D267-T270 PolarHBondContact O-N 2.94Å; D267-T270 PolarHBondContact O-OG1 3.29Å
268V32.8Very low34.8Very low21 Ų2170.8 Ų70.813%0.12738%0.38CS..Hα-helixtrans-56.4-33.9-172.2175.30000111.2S266 T270 A271 L272 S358S266-V268 PolarHBondContact O-N 2.8Å; V268-T270 VanDerWaalsContact C-N 3.29Å; V268-T270 PolarHBondContact O-N 3.28Å; V268-A271 WeakPolarHBondContact O-CB 3.13Å; V268-A271 PolarHBondContact O-N 3.31Å; V268-L272 WeakPolarHBondContact O-CB 3.1Å; V268-L272 PolarHBondContact O-N 3.39Å; V268-S358 VanDerWaalsContact CG1-CB 3.49Å; V268-S358 VanDerWaalsContact CG1-OG 3.29Å; V268-S358 WeakPolarHBondContact CG1-OG 3.09Å; V268-S358 VanDerWaalsContact CG2-CB 3.44Å; V268-S358 WeakPolarHBondContact CG2-OG 3.35Å
269D35.1Very low34.5Very low103 Ų10370.6 Ų70.655%0.55138%0.379SS*.Hα-helixtrans-63.9-36179.3-60.8-32.2000111D267 A271 L272 D273D267-D269 PolarHBondContact O-N 2.9Å; D269-A271 VanDerWaalsContact C-N 3.3Å; D269-A271 PolarHBondContact O-N 3.47Å; D269-L272 PolarHBondContact O-N 3.21Å; D269-D273 WeakPolarHBondContact O-CA 3.32Å; D269-D273 WeakPolarHBondContact O-CB 3.45Å; D269-D273 PolarHBondContact O-N 2.84Å
270T36.5Very low34.3Very low71 Ų7175.4 Ų75.444%0.43640%0.396SS..Hα-helixtrans-65-37.8176.7-46.40000111.5D267 V268 A274D267-T270 WeakPolarHBondContact O-CB 3.4Å; D267-T270 PolarHBondContact O-N 2.94Å; D267-T270 PolarHBondContact O-OG1 3.29Å; V268-T270 VanDerWaalsContact C-N 3.29Å; V268-T270 PolarHBondContact O-N 3.28Å; T270-A274 WeakPolarHBondContact O-CB 3.35Å; T270-A274 PolarHBondContact O-N 2.98Å; T270-A274 VanDerWaalsContact O-N 3.1Å
271A35.7Very low34.3Very low36 Ų3675.5 Ų75.530%0.29839%0.394SS..Hα-helixtrans-69.2-53.2174.600000110.1V268 D269 D273 A274 L275V268-A271 WeakPolarHBondContact O-CB 3.13Å; V268-A271 PolarHBondContact O-N 3.31Å; D269-A271 VanDerWaalsContact C-N 3.3Å; D269-A271 PolarHBondContact O-N 3.47Å; A271-D273 PolarHBondContact O-N 3.26Å; A271-A274 WeakPolarHBondContact O-CB 3.33Å; A271-A274 PolarHBondContact O-N 2.73Å; A271-A274 VanDerWaalsContact O-N 3.1Å; A271-L275 WeakPolarHBondContact O-CB 3.33Å; A271-L275 WeakPolarHBondContact O-CD1 3.32Å; A271-L275 WeakPolarHBondContact O-CG 3.4Å; A271-L275 PolarHBondContact O-N 3.38Å
272L35.6Very low34.5Very low30 Ų3065.7 Ų65.716%0.15735%0.353CS..Hα-helixtrans-56.7-36.1-179.8-142.696.8000112.1V268 D269 L275 I276 L293 N361V268-L272 WeakPolarHBondContact O-CB 3.1Å; V268-L272 PolarHBondContact O-N 3.39Å; D269-L272 PolarHBondContact O-N 3.21Å; L272-L275 VanDerWaalsContact O-CB 3.26Å; L272-L275 WeakPolarHBondContact O-CB 3.18Å; L272-L275 PolarHBondContact O-N 2.74Å; L272-I276 HydrophobicContact CD2-CD1 4Å; L272-I276 HydrophobicContact CG-CD1 4.41Å; L272-I276 WeakPolarHBondContact O-CB 3.36Å; L272-I276 VanDerWaalsContact O-CG1 3.27Å; L272-I276 WeakPolarHBondContact O-CG1 3.12Å; L272-I276 PolarHBondContact O-N 3.35Å; L272-L293 HydrophobicContact CD2-CD1 4.28Å; L272-N361 HydrophobicContact CD1-CB 3.53Å
273D38.4Very low34.4Very low48 Ų4867.3 Ų67.326%0.25735%0.353SS..Hα-helixtrans-72.5-44177.2-69.9-1.5000111.8D269 A271 L275 I276 M277 Y308D269-D273 WeakPolarHBondContact O-CA 3.32Å; D269-D273 WeakPolarHBondContact O-CB 3.45Å; D269-D273 PolarHBondContact O-N 2.84Å; A271-D273 PolarHBondContact O-N 3.26Å; D273-L275 PolarHBondContact O-N 3.26Å; D273-I276 PolarHBondContact O-N 3.49Å; D273-M277 WeakPolarHBondContact O-CB 3.26Å; D273-M277 PolarHBondContact O-N 2.81Å; D273-Y308 WeakPolarHBondContact CA-OH 2.99Å; D273-Y308 HydrophobicContact CB-CE1 3.83Å; D273-Y308 HydrophobicContact CB-CE2 4.27Å; D273-Y308 WeakPolarHBondContact CB-OH 3.49Å; D273-Y308 VanDerWaalsContact O-CE1 3.3Å; D273-Y308 WeakPolarHBondContact O-CE1 3.46Å; D273-Y308 PolarHBondContact OD1-OH 3.49Å
274A38Very low34.5Very low12 Ų1262.1 Ų62.110%0.09933%0.33CS..Hα-helixtrans-57-33.3171.600000111.6T270 A271 Y278 C322T270-A274 WeakPolarHBondContact O-CB 3.35Å; T270-A274 PolarHBondContact O-N 2.98Å; T270-A274 VanDerWaalsContact O-N 3.1Å; A271-A274 WeakPolarHBondContact O-CB 3.33Å; A271-A274 PolarHBondContact O-N 2.73Å; A271-A274 VanDerWaalsContact O-N 3.1Å; A274-Y278 VanDerWaalsContact O-CB 3.26Å; A274-Y278 WeakPolarHBondContact O-CB 3.41Å; A274-Y278 PolarHBondContact O-N 3.26Å; A274-C322 HydrophobicContact CB-CB 3.87Å
275L37.2Very low34.6Very low21 Ų2164.2 Ų64.211%0.1134%0.337CS..Hα-helixtrans-76.5-49.8179.6-86.9148.3000115.6A271 L272 D273 M277 Y278 L279 A365A271-L275 WeakPolarHBondContact O-CB 3.33Å; A271-L275 WeakPolarHBondContact O-CD1 3.32Å; A271-L275 WeakPolarHBondContact O-CG 3.4Å; A271-L275 PolarHBondContact O-N 3.38Å; L272-L275 VanDerWaalsContact O-CB 3.26Å; L272-L275 WeakPolarHBondContact O-CB 3.18Å; L272-L275 PolarHBondContact O-N 2.74Å; D273-L275 PolarHBondContact O-N 3.26Å; L275-M277 PolarHBondContact O-N 3.04Å; L275-Y278 WeakPolarHBondContact O-CB 3.31Å; L275-Y278 PolarHBondContact O-N 3.22Å; L275-Y278 VanDerWaalsContact O-N 3.16Å; L275-L279 WeakPolarHBondContact O-CG 3.42Å; L275-L279 PolarHBondContact O-N 3.39Å; L275-A365 HydrophobicContact CD1-CB 2.9Å; L275-A365 HydrophobicContact CD2-CB 3.02Å; L275-A365 WeakPolarHBondContact CD2-O 3.27Å; L275-A365 HydrophobicContact CG-CB 3.37Å
276I38.5Very low34.6Very low41 Ų4164.6 Ų64.621%0.2134%0.339CS..Hα-helixtrans-59.4-38.8175.2-72166.3000108.5L272 D273 R280 I288 Y308L272-I276 HydrophobicContact CD2-CD1 4Å; L272-I276 HydrophobicContact CG-CD1 4.41Å; L272-I276 WeakPolarHBondContact O-CB 3.36Å; L272-I276 VanDerWaalsContact O-CG1 3.27Å; L272-I276 WeakPolarHBondContact O-CG1 3.12Å; L272-I276 PolarHBondContact O-N 3.35Å; D273-I276 PolarHBondContact O-N 3.49Å; I276-R280 WeakPolarHBondContact O-CG 3.42Å; I276-R280 PolarHBondContact O-N 3.41Å; I276-I288 HydrophobicContact CG1-CD1 4.16Å; I276-Y308 HydrophobicContact CB-CE1 4.04Å; I276-Y308 WeakPolarHBondContact CD1-OH 3.49Å; I276-Y308 HydrophobicContact CG2-CE1 3.95Å
277M35.6Very low34.2Very low21 Ų2165.3 Ų65.310%0.10334%0.342CS..Hα-helixtrans-67.6-44.4175.3-160.9157.868.900111.6D273 L275 L279 R280 C281 Y308 F311 Y318D273-M277 WeakPolarHBondContact O-CB 3.26Å; D273-M277 PolarHBondContact O-N 2.81Å; L275-M277 PolarHBondContact O-N 3.04Å; M277-L279 PolarHBondContact O-N 3.48Å; M277-R280 PolarHBondContact O-N 3.41Å; M277-C281 WeakPolarHBondContact O-CB 3.34Å; M277-C281 PolarHBondContact O-N 2.96Å; M277-C281 PolarHBondContact O-SG 3.17Å; M277-Y308 HydrophobicContact CB-CD1 4.17Å; M277-Y308 HydrophobicContact CB-CE1 4.29Å; M277-Y308 HydrophobicContact SD-CD1 4.34Å; M277-F311 HydrophobicContact CE-CB 4.34Å; M277-F311 HydrophobicContact SD-CB 4.28Å; M277-Y318 HydrophobicContact CE-CD1 3.26Å; M277-Y318 HydrophobicContact CE-CE1 3.61Å; M277-Y318 HydrophobicContact CE-CG 4.4Å
278Y34.5Very low34.1Very low4 Ų465.2 Ų65.22%0.01634%0.34CS..Hα-helixtrans-56.5-49.9174.2-179.9-95.9000112.7A274 L275 R280 C281 C282 L319 S369 Y372 W373A274-Y278 VanDerWaalsContact O-CB 3.26Å; A274-Y278 WeakPolarHBondContact O-CB 3.41Å; A274-Y278 PolarHBondContact O-N 3.26Å; L275-Y278 WeakPolarHBondContact O-CB 3.31Å; L275-Y278 PolarHBondContact O-N 3.22Å; L275-Y278 VanDerWaalsContact O-N 3.16Å; Y278-R280 VanDerWaalsContact C-N 3.32Å; Y278-R280 PolarHBondContact O-N 2.78Å; Y278-C281 VanDerWaalsContact O-CB 3.26Å; Y278-C281 WeakPolarHBondContact O-CB 3.43Å; Y278-C281 PolarHBondContact O-N 3.24Å; Y278-C281 VanDerWaalsContact O-N 3.12Å; Y278-C282 PolarHBondContact O-N 2.66Å; Y278-C282 PolarHBondContact O-SG 2.93Å; Y278-L319 HydrophobicContact CD2-CD1 3.55Å; Y278-L319 HydrophobicContact CD2-CD2 3.88Å; Y278-L319 HydrophobicContact CD2-CG 4.24Å; Y278-L319 HydrophobicContact CE2-CD2 4.32Å; Y278-L319 HydrophobicContact CG-CD1 4.25Å; Y278-S369 PolarHBondContact OH-O 2.83Å; Y278-Y372 HydrophobicContact CE1-CD1 4.21Å; Y278-Y372 HydrophobicContact CE1-CG 4.29Å; Y278-Y372 HydrophobicContact CE2-CD1 4.16Å; Y278-Y372 AromaticContact CZ-CD1 3.59Å; Y278-Y372 VanDerWaalsContact OH-CB 3.28Å; Y278-Y372 WeakPolarHBondContact OH-CB 3.49Å; Y278-Y372 WeakPolarHBondContact OH-CD1 3.21Å; Y278-W373 VanDerWaalsContact OH-CD1 3.24Å; Y278-W373 PolarHBondContact OH-N 3.04Å
279L34.6Very low33.7Very low17 Ų1768.2 Ų68.29%0.08935%0.353CS..Hα-helixtrans-59.8-40.7-178.8-74.1166.4000112.7L275 M277 C282 I284 I288 L368L275-L279 WeakPolarHBondContact O-CG 3.42Å; L275-L279 PolarHBondContact O-N 3.39Å; M277-L279 PolarHBondContact O-N 3.48Å; L279-C282 WeakPolarHBondContact O-CB 3.37Å; L279-C282 PolarHBondContact O-N 3.19Å; L279-I284 HydrophobicContact CD2-CD1 4.12Å; L279-I288 HydrophobicContact CD1-CD1 3.32Å; L279-I288 HydrophobicContact CD1-CG1 3.83Å; L279-L368 HydrophobicContact CD1-CD1 3.98Å; L279-L368 HydrophobicContact CD2-CB 4Å; L279-L368 HydrophobicContact CD2-CD1 3.98Å; L279-L368 HydrophobicContact CD2-CD2 4.07Å; L279-L368 HydrophobicContact CD2-CG 4.23Å
280R35.5Very low33.1Very low175 Ų17570.2 Ų70.266%0.6636%0.364SS*.Hα-helixtrans-68.1-37.5176.1-71.5176.1178178.72.4112.5I276 M277 Y278 C282 Q283I276-R280 WeakPolarHBondContact O-CG 3.42Å; I276-R280 PolarHBondContact O-N 3.41Å; M277-R280 PolarHBondContact O-N 3.41Å; Y278-R280 VanDerWaalsContact C-N 3.32Å; Y278-R280 PolarHBondContact O-N 2.78Å; R280-C282 PolarHBondContact O-N 3.39Å; R280-Q283 PolarHBondContact O-N 3.2Å; R280-Q283 VanDerWaalsContact O-N 3.17Å
281C33Very low32.5Very low22 Ų2270.7 Ų70.715%0.14936%0.363CS..Hα-helixtrans-61.4-26.1175.8-74.10000112.9M277 Y278 Q283 K314M277-C281 WeakPolarHBondContact O-CB 3.34Å; M277-C281 PolarHBondContact O-N 2.96Å; M277-C281 PolarHBondContact O-SG 3.17Å; Y278-C281 VanDerWaalsContact O-CB 3.26Å; Y278-C281 WeakPolarHBondContact O-CB 3.43Å; Y278-C281 PolarHBondContact O-N 3.24Å; Y278-C281 VanDerWaalsContact O-N 3.12Å; C281-Q283 VanDerWaalsContact C-N 3.29Å; C281-Q283 PolarHBondContact O-N 3.4Å; C281-K314 HydrophobicContact CB-CB 3.42Å; C281-K314 VanDerWaalsContact CB-CB 3.42Å; C281-K314 WeakPolarHBondContact O-CB 3.4Å; C281-K314 WeakPolarHBondContact O-CD 3.4Å; C281-K314 WeakPolarHBondContact SG-CA 3.24Å
282C33.4Very low31.9Very low14 Ų1477 Ų7710%0.09539%0.386CS..THydrogen-bonded Turntrans-83.30.8179.5-59.50000114.4Y278 L279 R280 I284 Y372Y278-C282 PolarHBondContact O-N 2.66Å; Y278-C282 PolarHBondContact O-SG 2.93Å; L279-C282 WeakPolarHBondContact O-CB 3.37Å; L279-C282 PolarHBondContact O-N 3.19Å; R280-C282 PolarHBondContact O-N 3.39Å; C282-I284 HydrophobicContact CB-CD1 4.04Å; C282-I284 HydrophobicContact CB-CG1 3.93Å; C282-I284 PolarHBondContact O-N 3.24Å; C282-Y372 HydrophobicContact CB-CD1 4.33Å; C282-Y372 HydrophobicContact CB-CD2 3.37Å; C282-Y372 HydrophobicContact CB-CE1 4.21Å; C282-Y372 HydrophobicContact CB-CE2 3.23Å; C282-Y372 HydrophobicContact CB-CG 3.91Å; C282-Y372 WeakPolarHBondContact SG-CD1 3.41Å; C282-Y372 WeakPolarHBondContact SG-CD2 3.37Å; C282-Y372 WeakPolarHBondContact SG-CE1 3.04Å; C282-Y372 WeakPolarHBondContact SG-CE2 2.98Å
283Q32.6Very low31.3Very low144 Ų14480.8 Ų80.867%0.67341%0.406SS*.THydrogen-bonded Turntrans53.534.6-173.1-59.3-177.2-6.700112.8R280 C281 D285R280-Q283 PolarHBondContact O-N 3.2Å; R280-Q283 VanDerWaalsContact O-N 3.17Å; C281-Q283 VanDerWaalsContact C-N 3.29Å; C281-Q283 PolarHBondContact O-N 3.4Å; Q283-D285 PolarHBondContact O-N 3.19Å
284I31.1Very low30.6Very low72 Ų7287.3 Ų87.337%0.36943%0.432SS..  trans-81.6102.3168.4-58.4174.5000106.2L279 C282 E286L279-I284 HydrophobicContact CD2-CD1 4.12Å; C282-I284 HydrophobicContact CB-CD1 4.04Å; C282-I284 HydrophobicContact CB-CG1 3.93Å; C282-I284 PolarHBondContact O-N 3.24Å; I284-E286 HydrophobicContact CG2-CB 4.17Å; I284-E286 PolarHBondContact O-N 3.41Å
285D31.7Very low29.9Very low158 Ų15891.9 Ų91.985%0.84546%0.464SS*.  trans-75.5-3.6179-71.5-32.2000112.9Q283 P287Q283-D285 PolarHBondContact O-N 3.19Å; D285-P287 WeakPolarHBondContact O-CD 3.4Å
286E28.7Very low29.2Very low161 Ų16197 Ų9775%0.75250%0.495SS*.SBendtrans-77.9123175-68.6-160.4179.900111.3I284 I288I284-E286 HydrophobicContact CG2-CB 4.17Å; I284-E286 PolarHBondContact O-N 3.41Å; E286-I288 PolarHBondContact O-N 2.78Å
287P27.3Very low28.5Very low100 Ų100103.6 Ų103.665%0.64953%0.525SS*.  trans-65.9135.6176.725.6-31.2000109.8D285 Q289D285-P287 WeakPolarHBondContact O-CD 3.4Å; P287-Q289 VanDerWaalsContact C-N 3.31Å; P287-Q289 PolarHBondContact O-N 3.33Å
288I30.1Very low28Very low98 Ų98109.3 Ų109.350%0.50356%0.556SS.*  trans-55.3107.5153.9-60.4168.7000104.6I276 L279 E286 N290I276-I288 HydrophobicContact CG1-CD1 4.16Å; L279-I288 HydrophobicContact CD1-CD1 3.32Å; L279-I288 HydrophobicContact CD1-CG1 3.83Å; E286-I288 PolarHBondContact O-N 2.78Å; I288-N290 PolarHBondContact O-N 3.38Å
289Q24.6Very low27.6Very low84 Ų84115.1 Ų115.139%0.39359%0.592SS.*  trans-58.3107.6-172.6-74157.8-4.800109.5P287 I291 N428P287-Q289 VanDerWaalsContact C-N 3.31Å; P287-Q289 PolarHBondContact O-N 3.33Å; Q289-I291 VanDerWaalsContact C-N 3.34Å; Q289-I291 PolarHBondContact O-N 2.89Å; Q289-N428 PolarHBondContact NE2-ND2 3Å
290N22.7Very low27.1Very low146 Ų146123 Ų12378%0.78163%0.628SS**  trans18.867.4158.1-73.2-24.2000115.1I288 Q292I288-N290 PolarHBondContact O-N 3.38Å; N290-Q292 PolarHBondContact O-N 3.49Å; N290-Q292 VanDerWaalsContact O-N 3.07Å
291I23.9Very low26.6Very low80 Ų80122.3 Ų122.341%0.4163%0.63SS.*  trans-77.194.1150.9-55.6-179.3000104.3Q289 L293 F429Q289-I291 VanDerWaalsContact C-N 3.34Å; Q289-I291 PolarHBondContact O-N 2.89Å; I291-L293 HydrophobicContact CG2-CD2 4Å; I291-L293 HydrophobicContact CG2-CG 3.9Å; I291-L293 PolarHBondContact O-N 3.34Å; I291-F429 HydrophobicContact CD1-CE1 4.38Å; I291-F429 HydrophobicContact CD1-CZ 4.49Å; I291-F429 HydrophobicContact CG1-CZ 4.23Å
292Q22.5Very low26.3Very low168 Ų168129.2 Ų129.279%0.78566%0.66SS**  trans-61.382.4165.9-76.4-176.9-19.900108.1N290 K294N290-Q292 PolarHBondContact O-N 3.49Å; N290-Q292 VanDerWaalsContact O-N 3.07Å; Q292-K294 VanDerWaalsContact C-N 3.3Å; Q292-K294 PolarHBondContact O-N 2.68Å
293L24.3Very low26.1Very low111 Ų111132.9 Ų132.958%0.58168%0.676SS**  trans-69.596.3167.9-72.3168.3000106.2L272 I291 S295L272-L293 HydrophobicContact CD2-CD1 4.28Å; I291-L293 HydrophobicContact CG2-CD2 4Å; I291-L293 HydrophobicContact CG2-CG 3.9Å; I291-L293 PolarHBondContact O-N 3.34Å; L293-S295 PolarHBondContact O-N 2.78Å
294K22.8Very low26Very low184 Ų184131.7 Ų131.780%0.868%0.684SS**  trans-52115.9170.5-71.9-179.4175-177.30107.5Q292 V296Q292-K294 VanDerWaalsContact C-N 3.3Å; Q292-K294 PolarHBondContact O-N 2.68Å; K294-V296 PolarHBondContact O-N 3.43Å
295S22.8Very low25.8Very low109 Ų109131.4 Ų131.476%0.76269%0.687SS**  trans-19.2103168.654.10000112.5L293L293-S295 PolarHBondContact O-N 2.78Å
296V23.4Very low25.9Very low127 Ų127125.6 Ų125.677%0.7766%0.659SS**  trans-73.1125.1149177.60000103.8K294 D298K294-V296 PolarHBondContact O-N 3.43Å; V296-D298 PolarHBondContact O-N 3.33Å
297E23.2Very low26Very low181 Ų181122.7 Ų122.785%0.84664%0.642SS**  trans-47.8110.8-177.3-69.5175.9160.100109.4V299E297-V299 PolarHBondContact O-N 3.31Å
298D25.3Very low26.2Very low141 Ų141120.8 Ų120.875%0.75462%0.622SS**  trans-47.9118172.9-83.2-44.9000107V296 Q300V296-D298 PolarHBondContact O-N 3.33Å; D298-Q300 PolarHBondContact O-N 2.9Å
299V25.8Very low26.5Very low126 Ų126120.6 Ų120.676%0.76462%0.618SS**  trans-48.6113.8165.31750000105.3E297 F301E297-V299 PolarHBondContact O-N 3.31Å; V299-F301 PolarHBondContact O-N 3.25Å
300Q24Very low26.9Very low183 Ų183117 Ų11786%0.85560%0.601SS**SBendtrans-48.563.3-159.4-67.4-179.1-30.500116.6D298 Q302D298-Q300 PolarHBondContact O-N 2.9Å; Q300-Q302 PolarHBondContact O-N 3.36Å
301F25Very low27.6Very low159 Ų159111 Ų11170%0.69757%0.568SS**  trans-89.697.9155.6-75.9-81000105V299 E303V299-F301 PolarHBondContact O-N 3.25Å; F301-E303 PolarHBondContact O-N 2.91Å
302Q27.3Very low28Very low168 Ų168107.5 Ų107.579%0.78555%0.552SS**  trans-57.814.2174-86.5-177.8-34.900114.9Q300Q300-Q302 PolarHBondContact O-N 3.36Å
303E29.9Very low28.6Very low90 Ų90101.7 Ų101.742%0.42153%0.525SS..  trans-117.5105.3174.8-80.2175.4-162.400106.5F301 C305F301-E303 PolarHBondContact O-N 2.91Å; E303-C305 HydrophobicContact CB-CB 4.13Å; E303-C305 PolarHBondContact O-N 3.28Å
304S28.7Very low29.1Very low119 Ų119100.2 Ų100.283%0.83251%0.513SS*.  trans-6138.1161.751.20000112S306S304-S306 PolarHBondContact O-N 3.35Å
305C28.7Very low29.9Very low66 Ų6694.1 Ų94.145%0.44649%0.49SS..  trans-71.280.3177.9-84.10000107E303 Y307E303-C305 HydrophobicContact CB-CB 4.13Å; E303-C305 PolarHBondContact O-N 3.28Å; C305-Y307 VanDerWaalsContact C-N 3.34Å; C305-Y307 PolarHBondContact O-N 3.47Å
306S32.6Very low30.5Very low36 Ų3689.2 Ų89.225%0.25246%0.455SS..  trans-35.896.7159.653.30000109.7S304 Y308 K309S304-S306 PolarHBondContact O-N 3.35Å; S306-Y308 PolarHBondContact O-N 2.84Å; S306-Y308 VanDerWaalsContact O-N 3.1Å; S306-K309 WeakPolarHBondContact O-CB 3.4Å; S306-K309 PolarHBondContact O-N 3.39Å; S306-K309 WeakPolarHBondContact OG-CB 3.46Å; S306-K309 WeakPolarHBondContact OG-CD 3.2Å; S306-K309 VanDerWaalsContact OG-CE 3.3Å; S306-K309 WeakPolarHBondContact OG-CE 3.4Å; S306-K309 WeakPolarHBondContact OG-CG 3.5Å
307Y30.6Very low31.2Very low101 Ų10184 Ų8440%0.39642%0.423SS..Hα-helixtrans-51.2-32.5172.7-78-88.9000110.8I254 N257 C305 K309 L310I254-Y307 HydrophobicContact CG1-CE1 4.29Å; I254-Y307 HydrophobicContact CG2-CD1 4.11Å; I254-Y307 HydrophobicContact CG2-CE1 4.33Å; N257-Y307 PolarHBondContact ND2-OH 2.88Å; C305-Y307 VanDerWaalsContact C-N 3.34Å; C305-Y307 PolarHBondContact O-N 3.47Å; Y307-K309 VanDerWaalsContact C-N 3.26Å; Y307-K309 PolarHBondContact O-N 2.9Å; Y307-L310 PolarHBondContact O-N 2.77Å
308Y32Very low32Very low60 Ų6075.9 Ų75.924%0.23539%0.385CS..Hα-helixtrans-56.3-27.4171.3-61.3-81.9000116.4D273 I276 M277 S306 L310D273-Y308 WeakPolarHBondContact CA-OH 2.99Å; D273-Y308 HydrophobicContact CB-CE1 3.83Å; D273-Y308 HydrophobicContact CB-CE2 4.27Å; D273-Y308 WeakPolarHBondContact CB-OH 3.49Å; D273-Y308 VanDerWaalsContact O-CE1 3.3Å; D273-Y308 WeakPolarHBondContact O-CE1 3.46Å; D273-Y308 PolarHBondContact OD1-OH 3.49Å; I276-Y308 HydrophobicContact CB-CE1 4.04Å; I276-Y308 WeakPolarHBondContact CD1-OH 3.49Å; I276-Y308 HydrophobicContact CG2-CE1 3.95Å; M277-Y308 HydrophobicContact CB-CD1 4.17Å; M277-Y308 HydrophobicContact CB-CE1 4.29Å; M277-Y308 HydrophobicContact SD-CD1 4.34Å; S306-Y308 PolarHBondContact O-N 2.84Å; S306-Y308 VanDerWaalsContact O-N 3.1Å; Y308-L310 PolarHBondContact O-N 2.85Å
309K36.3Very low32.6Very low94 Ų9469.9 Ų69.941%0.40935%0.353SS..Hα-helixtrans-68.8-31175.8-81-179.7-164.8169.80109.8I200 C201 S306 Y307I200-K309 CarbonylContact C-O 3.49Å; I200-K309 WeakPolarHBondContact CG1-O 3.43Å; I200-K309 CarbonylContact O-C 3.53Å; C201-K309 WeakPolarHBondContact CA-O 3.16Å; C201-K309 PolarHBondContact N-O 3.48Å; S306-K309 WeakPolarHBondContact O-CB 3.4Å; S306-K309 PolarHBondContact O-N 3.39Å; S306-K309 WeakPolarHBondContact OG-CB 3.46Å; S306-K309 WeakPolarHBondContact OG-CD 3.2Å; S306-K309 VanDerWaalsContact OG-CE 3.3Å; S306-K309 WeakPolarHBondContact OG-CE 3.4Å; S306-K309 WeakPolarHBondContact OG-CG 3.5Å; Y307-K309 VanDerWaalsContact C-N 3.26Å; Y307-K309 PolarHBondContact O-N 2.9Å
310L34.1Very low33Very low8 Ų864.2 Ų64.24%0.04232%0.319CS..Hα-helixtrans-81.2-24.1-168.8-97.5124.6000116.1L199 I200 Y246 I254 Y307 Y308L199-L310 CarbonylContact C-O 3.5Å; L199-L310 VanDerWaalsContact CA-O 3.23Å; L199-L310 WeakPolarHBondContact CA-O 3.41Å; L199-L310 HydrophobicContact CD1-CD2 4.16Å; L199-L310 HydrophobicContact CD2-CD2 4.1Å; L199-L310 WeakPolarHBondContact CD2-O 3.44Å; L199-L310 HydrophobicContact CG-CD2 4.5Å; I200-L310 PolarHBondContact N-O 3.43Å; I200-L310 CarbonylContact O-C 3.48Å; I200-L310 WeakPolarHBondContact O-CA 3.44Å; Y246-L310 HydrophobicContact CD1-CD1 3.95Å; Y246-L310 HydrophobicContact CD1-CD2 3.71Å; Y246-L310 HydrophobicContact CD1-CG 4.13Å; Y246-L310 HydrophobicContact CE1-CD1 3.37Å; Y246-L310 HydrophobicContact CE1-CD2 3.84Å; Y246-L310 HydrophobicContact CE1-CG 3.71Å; Y246-L310 HydrophobicContact CG-CD2 4.28Å; I254-L310 HydrophobicContact CD1-CD1 3.47Å; I254-L310 VanDerWaalsContact CD1-CD1 3.47Å; I254-L310 HydrophobicContact CD1-CD2 3.96Å; I254-L310 HydrophobicContact CD1-CG 4.27Å; Y307-L310 PolarHBondContact O-N 2.77Å; Y308-L310 PolarHBondContact O-N 2.85Å
311F35.5Very low33.5Very low20 Ų2059.2 Ų59.29%0.08829%0.292CS..BIsolated β-bridgetrans-111.9135.1-173.6-66.5-82.9000113.5L199 I200 I254 L258 M277L199-F311 HydrophobicContact CD2-CD1 3.95Å; L199-F311 HydrophobicContact CD2-CE1 3.44Å; L199-F311 VanDerWaalsContact CD2-CE1 3.44Å; L199-F311 HydrophobicContact CD2-CE2 4.48Å; L199-F311 HydrophobicContact CD2-CZ 3.75Å; I200-F311 WeakPolarHBondContact CD1-O 3.41Å; I254-F311 HydrophobicContact CG2-CE2 3.49Å; I254-F311 VanDerWaalsContact CG2-CE2 3.49Å; I254-F311 HydrophobicContact CG2-CZ 3.84Å; L258-F311 HydrophobicContact CD1-CD2 3.79Å; L258-F311 HydrophobicContact CD1-CE1 4.36Å; L258-F311 HydrophobicContact CD1-CE2 3.05Å; L258-F311 HydrophobicContact CD1-CZ 3.39Å; M277-F311 HydrophobicContact CE-CB 4.34Å; M277-F311 HydrophobicContact SD-CB 4.28Å
312G34Very low34Very low7 Ų752.1 Ų52.17%0.07226%0.262CS..  -94.5-29.4-125.600000119.2I200I200-G312 WeakPolarHBondContact CD1-O 3.32Å; I200-G312 WeakPolarHBondContact CG2-O 3.45Å
313H33.7Very low34.4Very low46 Ų4645.5 Ų45.521%0.21323%0.234CC..  trans-165.9156.9-159.3-155.4-94.6000109.3D315 S316H313-D315 IonicContact CE1-OD2 2.93Å; H313-D315 IonicContact ND1-OD2 3.73Å; H313-D315 PolarHBondContact ND1-OD2 2.83Å; H313-D315 PolarHBondContact O-N 2.92Å; H313-S316 WeakPolarHBondContact O-CB 3.3Å; H313-S316 PolarHBondContact O-N 3.49Å
314K36.3Very low34.6Very low79 Ų7944 Ų4434%0.34323%0.233SC..THydrogen-bonded Turntrans-57.9-12.2-178.259.7-179.4179.3179.90117.7C281 L319C281-K314 HydrophobicContact CB-CB 3.42Å; C281-K314 VanDerWaalsContact CB-CB 3.42Å; C281-K314 WeakPolarHBondContact O-CB 3.4Å; C281-K314 WeakPolarHBondContact O-CD 3.4Å; C281-K314 WeakPolarHBondContact SG-CA 3.24Å; K314-L319 VanDerWaalsContact O-CD2 3.24Å; K314-L319 WeakPolarHBondContact O-CD2 3.2Å
315D37.8Very low34.8Very low57 Ų5743.1 Ų43.131%0.30521%0.212SC..THydrogen-bonded Turntrans-120.213.9-178.3-48-57000111.7I196 H313I196-D315 VanDerWaalsContact CG2-O 3.29Å; I196-D315 WeakPolarHBondContact CG2-O 3.14Å; H313-D315 IonicContact CE1-OD2 2.93Å; H313-D315 IonicContact ND1-OD2 3.73Å; H313-D315 PolarHBondContact ND1-OD2 2.83Å; H313-D315 PolarHBondContact O-N 2.92Å
316S37.2Very low35.3Very low5 Ų542 Ų424%0.03520%0.203CC..  trans-58.3146.3-169.5-166.50000112.7H313 Y318 L319 A320H313-S316 WeakPolarHBondContact O-CB 3.3Å; H313-S316 PolarHBondContact O-N 3.49Å; S316-Y318 PolarHBondContact O-N 3.33Å; S316-Y318 VanDerWaalsContact O-N 3.09Å; S316-L319 WeakPolarHBondContact O-CA 3.04Å; S316-L319 VanDerWaalsContact O-CB 3.32Å; S316-L319 WeakPolarHBondContact O-CB 3.42Å; S316-L319 PolarHBondContact O-N 3.23Å; S316-A320 PolarHBondContact O-N 2.93Å
317L38.1Very low35.3Very low18 Ų1845 Ų459%0.09421%0.209CC..Hα-helixtrans-56.9-26.3176.3-171.571.5000112.1M164 T166 I196 A320 R321M164-L317 VanDerWaalsContact O-CD1 3.32Å; M164-L317 WeakPolarHBondContact O-CD1 3.2Å; T166-L317 HydrophobicContact CG2-CD1 4.39Å; T166-L317 HydrophobicContact CG2-CD2 3.87Å; I196-L317 WeakPolarHBondContact O-CB 2.93Å; I196-L317 PolarHBondContact O-N 3.45Å; L317-A320 WeakPolarHBondContact O-CB 3.2Å; L317-A320 PolarHBondContact O-N 3.48Å; L317-R321 WeakPolarHBondContact O-CB 3.43Å; L317-R321 WeakPolarHBondContact O-CG 3.31Å; L317-R321 PolarHBondContact O-N 2.65Å
318Y39.7Very low35.4Very low11 Ų1145.6 Ų45.64%0.04321%0.214CC..Hα-helixtrans-69.5-39.2171.6-174-98.8000111.9L258 Y259 M277 S316 R321 C322L258-Y318 HydrophobicContact CB-CD2 4.18Å; L258-Y318 HydrophobicContact CB-CE2 3.65Å; L258-Y318 HydrophobicContact CD1-CD2 4.34Å; L258-Y318 HydrophobicContact CD1-CE2 4.18Å; L258-Y318 HydrophobicContact CD2-CD2 4.44Å; L258-Y318 HydrophobicContact CD2-CE1 4.42Å; L258-Y318 HydrophobicContact CD2-CE2 3.54Å; L258-Y318 VanDerWaalsContact CD2-CZ 3.49Å; L258-Y318 VanDerWaalsContact CD2-OH 3.26Å; L258-Y318 WeakPolarHBondContact CD2-OH 3.45Å; L258-Y318 HydrophobicContact CG-CE2 3.96Å; Y259-Y318 HydrophobicContact CE1-CD2 4.12Å; M277-Y318 HydrophobicContact CE-CD1 3.26Å; M277-Y318 HydrophobicContact CE-CE1 3.61Å; M277-Y318 HydrophobicContact CE-CG 4.4Å; S316-Y318 PolarHBondContact O-N 3.33Å; S316-Y318 VanDerWaalsContact O-N 3.09Å; Y318-R321 CarbonylContact O-C 3.55Å; Y318-R321 PolarHBondContact O-N 2.93Å; Y318-C322 VanDerWaalsContact CD1-SG 3.59Å; Y318-C322 WeakPolarHBondContact CE1-SG 3.49Å; Y318-C322 WeakPolarHBondContact O-CA 3.26Å; Y318-C322 WeakPolarHBondContact O-CB 3.48Å; Y318-C322 PolarHBondContact O-N 3.15Å; Y318-C322 PolarHBondContact O-SG 3.1Å
319L36.5Very low35.7Very low15 Ų1544.8 Ų44.88%0.07921%0.213CC..Hα-helixtrans-64-44.2171.3-174.571000110.8Y278 K314 S316 R321 C322 C323Y278-L319 HydrophobicContact CD2-CD1 3.55Å; Y278-L319 HydrophobicContact CD2-CD2 3.88Å; Y278-L319 HydrophobicContact CD2-CG 4.24Å; Y278-L319 HydrophobicContact CE2-CD2 4.32Å; Y278-L319 HydrophobicContact CG-CD1 4.25Å; K314-L319 VanDerWaalsContact O-CD2 3.24Å; K314-L319 WeakPolarHBondContact O-CD2 3.2Å; S316-L319 WeakPolarHBondContact O-CA 3.04Å; S316-L319 VanDerWaalsContact O-CB 3.32Å; S316-L319 WeakPolarHBondContact O-CB 3.42Å; S316-L319 PolarHBondContact O-N 3.23Å; L319-R321 VanDerWaalsContact C-N 3.34Å; L319-R321 PolarHBondContact O-N 2.71Å; L319-C322 CarbonylContact O-C 3.45Å; L319-C322 PolarHBondContact O-N 3.46Å; L319-C323 WeakPolarHBondContact O-CB 3.14Å; L319-C323 PolarHBondContact O-N 3.23Å; L319-C323 PolarHBondContact O-SG 3.18Å
320A35Very low35.5Very low7 Ų740.8 Ų40.86%0.05820%0.196CC..Hα-helixtrans-53.7-49.5173.100000112.2M164 S316 L317 C323 S324M164-A320 HydrophobicContact CB-CB 3.59Å; M164-A320 HydrophobicContact CE-CB 3.83Å; M164-A320 HydrophobicContact CG-CB 4.37Å; S316-A320 PolarHBondContact O-N 2.93Å; L317-A320 WeakPolarHBondContact O-CB 3.2Å; L317-A320 PolarHBondContact O-N 3.48Å; A320-C323 PolarHBondContact O-N 3.35Å; A320-S324 WeakPolarHBondContact O-CB 3.25Å; A320-S324 PolarHBondContact O-N 3.12Å
321R33.6Very low35.5Very low78 Ų7842.3 Ų42.329%0.29421%0.205SC..Hα-helixtrans-71.9-31.4178.4-74.8-179.8175.3-179.90.8112.6E169 L317 Y318 L319 S324 R325E169-R321 IonicContact OE1-NH2 3.95Å; E169-R321 PolarHBondContact OE1-NH2 3.47Å; L317-R321 WeakPolarHBondContact O-CB 3.43Å; L317-R321 WeakPolarHBondContact O-CG 3.31Å; L317-R321 PolarHBondContact O-N 2.65Å; Y318-R321 CarbonylContact O-C 3.55Å; Y318-R321 PolarHBondContact O-N 2.93Å; L319-R321 VanDerWaalsContact C-N 3.34Å; L319-R321 PolarHBondContact O-N 2.71Å; R321-S324 CarbonylContact O-C 3.36Å; R321-S324 WeakPolarHBondContact O-CB 3.29Å; R321-S324 PolarHBondContact O-N 3.1Å; R321-S324 PolarHBondContact O-OG 2.83Å; R321-R325 WeakPolarHBondContact O-CB 2.96Å; R321-R325 WeakPolarHBondContact O-CG 3.13Å; R321-R325 PolarHBondContact O-N 2.88Å
322C36Very low35.6Very low9 Ų943.6 Ų43.66%0.06121%0.214CC..Hα-helixtrans-70.4-41.1173.1-82.40000111.3A274 Y318 L319 S324 R325 V326A274-C322 HydrophobicContact CB-CB 3.87Å; Y318-C322 VanDerWaalsContact CD1-SG 3.59Å; Y318-C322 WeakPolarHBondContact CE1-SG 3.49Å; Y318-C322 WeakPolarHBondContact O-CA 3.26Å; Y318-C322 WeakPolarHBondContact O-CB 3.48Å; Y318-C322 PolarHBondContact O-N 3.15Å; Y318-C322 PolarHBondContact O-SG 3.1Å; L319-C322 CarbonylContact O-C 3.45Å; L319-C322 PolarHBondContact O-N 3.46Å; C322-S324 VanDerWaalsContact C-N 3.3Å; C322-R325 CarbonylContact O-C 3.53Å; C322-R325 WeakPolarHBondContact O-CA 3.5Å; C322-R325 WeakPolarHBondContact O-CB 3.02Å; C322-R325 PolarHBondContact O-N 3.48Å; C322-V326 WeakPolarHBondContact O-CG2 3.3Å; C322-V326 PolarHBondContact O-N 3.14Å
323C36Very low35.9Very low29 Ų2946.3 Ų46.320%0.19623%0.231CC..Hα-helixtrans-63.2-39.2168.8-68.80000110.5L319 A320 R325 V326 R327 W373L319-C323 WeakPolarHBondContact O-CB 3.14Å; L319-C323 PolarHBondContact O-N 3.23Å; L319-C323 PolarHBondContact O-SG 3.18Å; A320-C323 PolarHBondContact O-N 3.35Å; C323-R325 PolarHBondContact O-N 3.09Å; C323-V326 WeakPolarHBondContact O-CB 3.48Å; C323-V326 PolarHBondContact O-N 3.14Å; C323-R327 PolarHBondContact O-N 3.46Å; C323-W373 HydrophobicContact CB-CZ2 4.2Å
324S34.2Very low36.1Very low58 Ų5847.7 Ų47.741%0.40624%0.24SC..Hα-helixtrans-63.2-27.9170.3121.10000112.5A320 R321 C322 R327 F328A320-S324 WeakPolarHBondContact O-CB 3.25Å; A320-S324 PolarHBondContact O-N 3.12Å; R321-S324 CarbonylContact O-C 3.36Å; R321-S324 WeakPolarHBondContact O-CB 3.29Å; R321-S324 PolarHBondContact O-N 3.1Å; R321-S324 PolarHBondContact O-OG 2.83Å; C322-S324 VanDerWaalsContact C-N 3.3Å; S324-R327 WeakPolarHBondContact O-CA 3.09Å; S324-R327 WeakPolarHBondContact O-CB 3.47Å; S324-R327 PolarHBondContact O-N 2.87Å; S324-F328 PolarHBondContact O-N 2.85Å
325R34Very low36.3Very low101 Ų10147 Ų4738%0.38125%0.245SC..Hα-helixtrans-84.5-28.3173.3-78.5179.4161.6128.3-7.5113.5L258 Y259 R321 C322 C323 R327 F328 I329L258-R325 PolarHBondContact O-NH1 2.8Å; L258-R325 PolarHBondContact O-NH2 3.44Å; Y259-R325 PolarHBondContact O-NH2 3.42Å; R321-R325 WeakPolarHBondContact O-CB 2.96Å; R321-R325 WeakPolarHBondContact O-CG 3.13Å; R321-R325 PolarHBondContact O-N 2.88Å; C322-R325 CarbonylContact O-C 3.53Å; C322-R325 WeakPolarHBondContact O-CA 3.5Å; C322-R325 WeakPolarHBondContact O-CB 3.02Å; C322-R325 PolarHBondContact O-N 3.48Å; C323-R325 PolarHBondContact O-N 3.09Å; R325-R327 PolarHBondContact O-N 2.73Å; R325-F328 VanDerWaalsContact O-CA 3.25Å; R325-F328 WeakPolarHBondContact O-CA 3.06Å; R325-F328 WeakPolarHBondContact O-CB 3.24Å; R325-F328 PolarHBondContact O-N 2.73Å; R325-I329 PolarHBondContact O-N 2.79Å
326V37.2Very low36.5Very low42 Ų4246.6 Ų46.626%0.25525%0.246SC..Hα-helixtrans-61.5-30.2161.3173.70000108.6C322 C323 F328 I329C322-V326 WeakPolarHBondContact O-CG2 3.3Å; C322-V326 PolarHBondContact O-N 3.14Å; C323-V326 WeakPolarHBondContact O-CB 3.48Å; C323-V326 PolarHBondContact O-N 3.14Å; V326-F328 PolarHBondContact O-N 3.39Å; V326-I329 HydrophobicContact CG1-CD1 4.31Å; V326-I329 WeakPolarHBondContact O-CA 3.19Å; V326-I329 WeakPolarHBondContact O-CB 3.46Å; V326-I329 PolarHBondContact O-N 3.48Å
327R33.1Very low36.5Very low100 Ų10048.5 Ų48.538%0.37726%0.256SS..Hα-helixtrans-59.6-32.5167.3-127.5-178.6-170.7172.413.7112.8C323 S324 R325 I329 H330 T331 D381 Q384C323-R327 PolarHBondContact O-N 3.46Å; S324-R327 WeakPolarHBondContact O-CA 3.09Å; S324-R327 WeakPolarHBondContact O-CB 3.47Å; S324-R327 PolarHBondContact O-N 2.87Å; R325-R327 PolarHBondContact O-N 2.73Å; R327-I329 VanDerWaalsContact C-N 3.26Å; R327-I329 PolarHBondContact O-N 3.11Å; R327-H330 WeakPolarHBondContact O-CA 3.17Å; R327-H330 VanDerWaalsContact O-CB 3.24Å; R327-H330 WeakPolarHBondContact O-CB 3.26Å; R327-H330 PolarHBondContact O-CD2 3.28Å; R327-H330 PolarHBondContact O-N 3.04Å; R327-T331 PolarHBondContact O-N 2.76Å; R327-D381 IonicContact CZ-OD1 3.22Å; R327-D381 IonicContact NH2-OD1 3.93Å; R327-D381 PolarHBondContact NH2-OD1 2.94Å; R327-Q384 VanDerWaalsContact NH2-OE1 3.14Å
328F33.7Very low36.6Very low114 Ų11449 Ų4950%0.526%0.259SS..Hα-helixtrans-64.5-27.5171.4-146.8-88.2000112.6S324 R325 V326 H330 T331 V332S324-F328 PolarHBondContact O-N 2.85Å; R325-F328 VanDerWaalsContact O-CA 3.25Å; R325-F328 WeakPolarHBondContact O-CA 3.06Å; R325-F328 WeakPolarHBondContact O-CB 3.24Å; R325-F328 PolarHBondContact O-N 2.73Å; V326-F328 PolarHBondContact O-N 3.39Å; F328-H330 PolarHBondContact O-N 3.07Å; F328-T331 WeakPolarHBondContact CA-OG1 3.48Å; F328-T331 VanDerWaalsContact CD1-OG1 3.22Å; F328-T331 WeakPolarHBondContact CD1-OG1 3.06Å; F328-T331 WeakPolarHBondContact CE1-OG1 3.15Å; F328-T331 VanDerWaalsContact CG-OG1 3.28Å; F328-T331 WeakPolarHBondContact CG-OG1 3.26Å; F328-T331 CarbonylContact O-C 3.59Å; F328-T331 WeakPolarHBondContact O-CA 3.32Å; F328-T331 WeakPolarHBondContact O-CB 3.42Å; F328-T331 PolarHBondContact O-N 3.03Å; F328-T331 PolarHBondContact O-OG1 3.43Å; F328-V332 HydrophobicContact CD1-CG2 4.48Å; F328-V332 PolarHBondContact O-N 3.33Å
329I37.2Very low36.7Very low42 Ų4252.2 Ų52.222%0.21528%0.276CS..Hα-helixtrans-60-33.7169.6-60.4178.5000110.2R325 V326 R327 T331 V332 L337 I362 L388R325-I329 PolarHBondContact O-N 2.79Å; V326-I329 HydrophobicContact CG1-CD1 4.31Å; V326-I329 WeakPolarHBondContact O-CA 3.19Å; V326-I329 WeakPolarHBondContact O-CB 3.46Å; V326-I329 PolarHBondContact O-N 3.48Å; R327-I329 VanDerWaalsContact C-N 3.26Å; R327-I329 PolarHBondContact O-N 3.11Å; I329-T331 VanDerWaalsContact C-N 3.33Å; I329-V332 PolarHBondContact O-N 3.04Å; I329-L337 HydrophobicContact CG2-CD1 4.32Å; I329-I362 HydrophobicContact CD1-CG2 4.06Å; I329-L388 HydrophobicContact CG2-CD2 4.43Å
330H32.9Very low36.7Very low11 Ų1157.3 Ų57.35%0.05130%0.304CS..Hα-helixtrans-66-37.2170.7-52.2-82.8000111.9N110 R327 F328 V332 Q384 L388N110-H330 HydrophobicContact CB-CB 4.04Å; N110-H330 WeakPolarHBondContact CB-O 3.38Å; N110-H330 PolarHBondContact ND2-O 3.33Å; N110-H330 PolarHBondContact OD1-O 2.84Å; R327-H330 WeakPolarHBondContact O-CA 3.17Å; R327-H330 VanDerWaalsContact O-CB 3.24Å; R327-H330 WeakPolarHBondContact O-CB 3.26Å; R327-H330 PolarHBondContact O-CD2 3.28Å; R327-H330 PolarHBondContact O-N 3.04Å; F328-H330 PolarHBondContact O-N 3.07Å; H330-V332 PolarHBondContact O-N 3.5Å; H330-Q384 PolarHBondContact CE1-O 2.93Å; H330-L388 WeakPolarHBondContact CE1-CB 3.4Å; H330-L388 WeakPolarHBondContact CE1-CD2 3.18Å; H330-L388 VanDerWaalsContact ND1-CB 3.33Å; H330-L388 WeakPolarHBondContact ND1-CB 3.25Å; H330-L388 VanDerWaalsContact ND1-CD2 3.3Å; H330-L388 WeakPolarHBondContact ND1-CD2 3.47Å
331T33.8Very low36.7Very low40 Ų4060.1 Ų60.125%0.24532%0.317CS..Hα-helixtrans-69.8-18.9178.570.70000113.8N110 V112 R327 F328 I329 P333N110-T331 WeakPolarHBondContact O-CG2 3.26Å; V112-T331 HydrophobicContact CG2-CG2 3.76Å; R327-T331 PolarHBondContact O-N 2.76Å; F328-T331 WeakPolarHBondContact CA-OG1 3.48Å; F328-T331 VanDerWaalsContact CD1-OG1 3.22Å; F328-T331 WeakPolarHBondContact CD1-OG1 3.06Å; F328-T331 WeakPolarHBondContact CE1-OG1 3.15Å; F328-T331 VanDerWaalsContact CG-OG1 3.28Å; F328-T331 WeakPolarHBondContact CG-OG1 3.26Å; F328-T331 CarbonylContact O-C 3.59Å; F328-T331 WeakPolarHBondContact O-CA 3.32Å; F328-T331 WeakPolarHBondContact O-CB 3.42Å; F328-T331 PolarHBondContact O-N 3.03Å; F328-T331 PolarHBondContact O-OG1 3.43Å; I329-T331 VanDerWaalsContact C-N 3.33Å; T331-P333 VanDerWaalsContact O-CD 3.25Å; T331-P333 WeakPolarHBondContact O-CD 3.27Å
332V37.8Very low36.9Very low46 Ų4663.5 Ų63.528%0.27933%0.334SS..SBendtrans-72.4116.2172.2-179.30000107.8F328 I329 H330 L334 L337F328-V332 HydrophobicContact CD1-CG2 4.48Å; F328-V332 PolarHBondContact O-N 3.33Å; I329-V332 PolarHBondContact O-N 3.04Å; H330-V332 PolarHBondContact O-N 3.5Å; V332-L334 PolarHBondContact O-N 2.97Å; V332-L337 HydrophobicContact CB-CD1 4.32Å; V332-L337 HydrophobicContact CG1-CB 4.45Å; V332-L337 HydrophobicContact CG1-CD1 4.08Å; V332-L337 HydrophobicContact CG1-CG 3.92Å
333P39.4Very low36.9Very low65 Ų6564.2 Ų64.242%0.42234%0.343SS..  trans-53.3133.9174-23.333.8000108.8T331 S335 S336 L337T331-P333 VanDerWaalsContact O-CD 3.25Å; T331-P333 WeakPolarHBondContact O-CD 3.27Å; P333-S335 WeakPolarHBondContact CB-OG 3.02Å; P333-S335 PolarHBondContact O-N 3.35Å; P333-S336 WeakPolarHBondContact O-CA 3.46Å; P333-S336 WeakPolarHBondContact O-CB 3.46Å; P333-S336 PolarHBondContact O-N 2.93Å; P333-L337 PolarHBondContact O-N 2.9Å
334L39.4Very low36.9Very low75 Ų7573.1 Ų73.139%0.39337%0.372SS..Hα-helixtrans-51.5-34.6176.8-17369.4000110.3V332 S336 L337 L338 F395V332-L334 PolarHBondContact O-N 2.97Å; L334-S336 PolarHBondContact O-N 3.39Å; L334-L337 WeakPolarHBondContact O-CB 3.24Å; L334-L337 PolarHBondContact O-N 3.5Å; L334-L338 HydrophobicContact CD2-CD1 4.22Å; L334-L338 HydrophobicContact CG-CD1 3.8Å; L334-L338 HydrophobicContact CG-CG 4.28Å; L334-L338 VanDerWaalsContact O-CB 3.25Å; L334-L338 WeakPolarHBondContact O-CB 3.13Å; L334-L338 WeakPolarHBondContact O-CD1 3.3Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 2.96Å; L334-F395 HydrophobicContact CD2-CD2 4.1Å; L334-F395 HydrophobicContact CD2-CG 4.4Å
335S40.5Very low37Very low65 Ų6577 Ų7746%0.45539%0.389SS..Hα-helixtrans-59.1-37.2172.258.10000114P333 L338 D339P333-S335 WeakPolarHBondContact CB-OG 3.02Å; P333-S335 PolarHBondContact O-N 3.35Å; S335-L338 CarbonylContact O-C 3.53Å; S335-L338 PolarHBondContact O-N 2.67Å; S335-D339 WeakPolarHBondContact O-CA 3.24Å; S335-D339 WeakPolarHBondContact O-CB 3.37Å; S335-D339 PolarHBondContact O-N 2.87Å
336S40.7Very low37.1Very low48 Ų4881 Ų8134%0.33641%0.411SS..Hα-helixtrans-73-40.5177.2-60.20000111.7P333 L334 L338 D339 N340P333-S336 WeakPolarHBondContact O-CA 3.46Å; P333-S336 WeakPolarHBondContact O-CB 3.46Å; P333-S336 PolarHBondContact O-N 2.93Å; L334-S336 PolarHBondContact O-N 3.39Å; S336-L338 PolarHBondContact O-N 2.97Å; S336-D339 PolarHBondContact O-N 2.78Å; S336-N340 WeakPolarHBondContact O-CB 3.36Å; S336-N340 PolarHBondContact O-N 2.89Å; S336-N340 VanDerWaalsContact O-N 3.16Å; S336-N340 PolarHBondContact O-ND2 3.4Å; S336-N340 VanDerWaalsContact O-ND2 3.13Å
337L38.6Very low37Very low44 Ų4489 Ų8923%0.2344%0.438CS..Hα-helixtrans-56.2-40.4167.1-100.2155.2000110.7I329 V332 P333 L334 L341 L359I329-L337 HydrophobicContact CG2-CD1 4.32Å; V332-L337 HydrophobicContact CB-CD1 4.32Å; V332-L337 HydrophobicContact CG1-CB 4.45Å; V332-L337 HydrophobicContact CG1-CD1 4.08Å; V332-L337 HydrophobicContact CG1-CG 3.92Å; P333-L337 PolarHBondContact O-N 2.9Å; L334-L337 WeakPolarHBondContact O-CB 3.24Å; L334-L337 PolarHBondContact O-N 3.5Å; L337-L341 WeakPolarHBondContact O-CG 3.33Å; L337-L341 PolarHBondContact O-N 2.92Å; L337-L359 HydrophobicContact CD2-CD1 3.95Å
338L40.4Very low37.3Very low30 Ų3089.1 Ų89.116%0.15745%0.447CS..Hα-helixtrans-80.6-31.2-179.8-70.1169.8000114.9L334 S335 S336 N340 L341 K342 F395L334-L338 HydrophobicContact CD2-CD1 4.22Å; L334-L338 HydrophobicContact CG-CD1 3.8Å; L334-L338 HydrophobicContact CG-CG 4.28Å; L334-L338 VanDerWaalsContact O-CB 3.25Å; L334-L338 WeakPolarHBondContact O-CB 3.13Å; L334-L338 WeakPolarHBondContact O-CD1 3.3Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 2.96Å; S335-L338 CarbonylContact O-C 3.53Å; S335-L338 PolarHBondContact O-N 2.67Å; S336-L338 PolarHBondContact O-N 2.97Å; L338-N340 VanDerWaalsContact C-N 3.28Å; L338-L341 HydrophobicContact CD2-CD1 3.8Å; L338-L341 CarbonylContact O-C 3.42Å; L338-L341 VanDerWaalsContact O-CA 3.3Å; L338-L341 WeakPolarHBondContact O-CA 3.44Å; L338-L341 VanDerWaalsContact O-CB 3.27Å; L338-L341 WeakPolarHBondContact O-CB 3.25Å; L338-L341 PolarHBondContact O-N 3.23Å; L338-K342 WeakPolarHBondContact O-CB 3.49Å; L338-K342 WeakPolarHBondContact O-CG 3.38Å; L338-K342 PolarHBondContact O-N 3.38Å; L338-F395 HydrophobicContact CD1-CE1 4.42Å; L338-F395 HydrophobicContact CD1-CE2 3.77Å; L338-F395 HydrophobicContact CD1-CZ 3.63Å; L338-F395 HydrophobicContact CD2-CE1 3.41Å; L338-F395 VanDerWaalsContact CD2-CE1 3.41Å; L338-F395 HydrophobicContact CD2-CE2 4.17Å; L338-F395 HydrophobicContact CD2-CZ 3.17Å; L338-F395 HydrophobicContact CG-CE1 4.43Å; L338-F395 HydrophobicContact CG-CZ 4Å
339D40.1Very low37.2Very low78 Ų7893.5 Ų93.542%0.41747%0.466SS..Hα-helixtrans-72.6-33.8179.7-78.6-22.2000109S335 S336 L341 K342 G343S335-D339 WeakPolarHBondContact O-CA 3.24Å; S335-D339 WeakPolarHBondContact O-CB 3.37Å; S335-D339 PolarHBondContact O-N 2.87Å; S336-D339 PolarHBondContact O-N 2.78Å; D339-L341 VanDerWaalsContact C-N 3.28Å; D339-L341 PolarHBondContact O-N 3.24Å; D339-K342 PolarHBondContact O-N 3.29Å; D339-G343 PolarHBondContact O-N 3.42Å
340N37.6Very low37.1Very low121 Ų12196.5 Ų96.565%0.64749%0.486SS*.Hα-helixtrans-62-34.7164.4-72.8-31.2000111.9S336 L338S336-N340 WeakPolarHBondContact O-CB 3.36Å; S336-N340 PolarHBondContact O-N 2.89Å; S336-N340 VanDerWaalsContact O-N 3.16Å; S336-N340 PolarHBondContact O-ND2 3.4Å; S336-N340 VanDerWaalsContact O-ND2 3.13Å; L338-N340 VanDerWaalsContact C-N 3.28Å
341L35.6Very low37.1Very low66 Ų66100 Ų10035%0.34651%0.505SS..Hα-helixtrans-74.1-30.2171.3-68.9163.8000113.5L337 L338 D339 G343 L359L337-L341 WeakPolarHBondContact O-CG 3.33Å; L337-L341 PolarHBondContact O-N 2.92Å; L338-L341 HydrophobicContact CD2-CD1 3.8Å; L338-L341 CarbonylContact O-C 3.42Å; L338-L341 VanDerWaalsContact O-CA 3.3Å; L338-L341 WeakPolarHBondContact O-CA 3.44Å; L338-L341 VanDerWaalsContact O-CB 3.27Å; L338-L341 WeakPolarHBondContact O-CB 3.25Å; L338-L341 PolarHBondContact O-N 3.23Å; D339-L341 VanDerWaalsContact C-N 3.28Å; D339-L341 PolarHBondContact O-N 3.24Å; L341-G343 VanDerWaalsContact C-N 3.28Å; L341-G343 PolarHBondContact O-N 3.18Å; L341-L359 HydrophobicContact CD1-CD1 4.11Å; L341-L359 HydrophobicContact CD1-CD2 3.97Å; L341-L359 HydrophobicContact CD2-CD1 4.48Å; L341-L359 HydrophobicContact CD2-CD2 3.97Å
342K36.5Very low36.9Very low150 Ų150100.2 Ų100.265%0.65250%0.503SS*.Hα-helixtrans-80.2-6.5-177.9-76.8178.4179.9176.50113.4L338 D339 R344L338-K342 WeakPolarHBondContact O-CB 3.49Å; L338-K342 WeakPolarHBondContact O-CG 3.38Å; L338-K342 PolarHBondContact O-N 3.38Å; D339-K342 PolarHBondContact O-N 3.29Å; K342-R344 VanDerWaalsContact C-N 3.29Å; K342-R344 PolarHBondContact O-N 2.91Å
343G37.2Very low36.7Very low23 Ų23105.5 Ų105.524%0.23752%0.522CS..THydrogen-bonded Turntrans59.236.1166.900000114.1D339 L341 N345D339-G343 PolarHBondContact O-N 3.42Å; L341-G343 VanDerWaalsContact C-N 3.28Å; L341-G343 PolarHBondContact O-N 3.18Å; G343-N345 PolarHBondContact O-N 2.79Å; G343-N345 VanDerWaalsContact O-N 3.15Å
344R35.1Very low36.5Very low217 Ų217106.4 Ų106.482%0.81953%0.526SS*.  trans-60.8-20.6174.6-86.8-168.1179.2-174.11.8112.8K342 Q346K342-R344 VanDerWaalsContact C-N 3.29Å; K342-R344 PolarHBondContact O-N 2.91Å; R344-Q346 PolarHBondContact O-N 3.25Å
345N36.5Very low36.3Very low140 Ų140108 Ų10875%0.74953%0.53SS*.  trans-93.890.8170.7-65-13000108.9G343 Y347G343-N345 PolarHBondContact O-N 2.79Å; G343-N345 VanDerWaalsContact O-N 3.15Å; N345-Y347 PolarHBondContact O-N 3.2Å
346Q37Very low36Very low184 Ų184107.2 Ų107.286%0.8652%0.519SS*.  trans-63.91.9177.4-76.7-177.3-18.500114.5R344 N348R344-Q346 PolarHBondContact O-N 3.25Å; Q346-N348 PolarHBondContact O-N 3.05Å
347Y35.2Very low35.9Very low209 Ų209109 Ų10982%0.8252%0.524SS*.SBendtrans-88.4109.4-178.7-71.4-86.5000110N345N345-Y347 PolarHBondContact O-N 3.2Å
348N37.4Very low36Very low104 Ų104107.1 Ų107.156%0.55652%0.515SS*.  trans91.291.8169.5-58.7-19.3000117.8Q346 T350 N351Q346-N348 PolarHBondContact O-N 3.05Å; N348-T350 PolarHBondContact O-N 2.88Å; N348-N351 HydrophobicContact CB-CB 4.48Å; N348-N351 PolarHBondContact O-N 3.39Å
349K33.4Very low36.1Very low205 Ų205107.5 Ų107.589%0.89152%0.517SS*.Hα-helixtrans-55.6-27.9169.1-82.1178.2175.9172.60114.2
350T35.1Very low36.1Very low105 Ų105106 Ų10664%0.64451%0.511SS*.Hα-helixtrans-68.3-45.3179.134.40000111.8N348 F352 K353N348-T350 PolarHBondContact O-N 2.88Å; T350-F352 PolarHBondContact O-N 2.9Å; T350-K353 PolarHBondContact O-N 3.31Å
351N31.9Very low36.3Very low85 Ų85101.8 Ų101.846%0.45549%0.488SS..Hα-helixtrans-62.2-34177-75.12.5000111.9N348 K353 V354 F355N348-N351 HydrophobicContact CB-CB 4.48Å; N348-N351 PolarHBondContact O-N 3.39Å; N351-K353 VanDerWaalsContact C-N 3.32Å; N351-K353 PolarHBondContact O-N 2.97Å; N351-V354 PolarHBondContact O-N 3.38Å; N351-F355 HydrophobicContact CB-CD2 4.18Å; N351-F355 HydrophobicContact CB-CE2 3.96Å; N351-F355 WeakPolarHBondContact O-CD2 3.02Å; N351-F355 PolarHBondContact O-N 3.05Å
352F29.8Very low36.6Very low45 Ų45100.5 Ų100.520%0.19748%0.481CS..Hα-helixtrans-63.1-36.3-177.8-148.7-63.7000113.1T350 F355 K356 R411T350-F352 PolarHBondContact O-N 2.9Å; F352-F355 PolarHBondContact O-N 3.37Å; F352-K356 PolarHBondContact O-N 3.33Å; F352-K356 VanDerWaalsContact O-N 3.07Å; F352-R411 VanDerWaalsContact CE1-NE 3.33Å; F352-R411 VanDerWaalsContact CG-NH2 3.33Å
353K33.4Very low36.9Very low157 Ų15794 Ų9468%0.68345%0.454SS*.Hα-helixtrans-67.3-41.9-179.2-150.2179.6-176-172.70110.6T350 N351 K356 D357T350-K353 PolarHBondContact O-N 3.31Å; N351-K353 VanDerWaalsContact C-N 3.32Å; N351-K353 PolarHBondContact O-N 2.97Å; K353-K356 PolarHBondContact O-N 3.35Å; K353-D357 PolarHBondContact O-N 2.99Å
354V34.6Very low37.1Very low84 Ų8495.4 Ų95.451%0.50946%0.455SS..Hα-helixtrans-57.2-53.3173.3-177.70000109.8N351 K356 D357 S358N351-V354 PolarHBondContact O-N 3.38Å; V354-K356 VanDerWaalsContact C-N 3.3Å; V354-K356 PolarHBondContact O-N 2.67Å; V354-D357 PolarHBondContact O-N 3.48Å; V354-S358 PolarHBondContact O-N 3.27Å; V354-S358 PolarHBondContact O-OG 3.37Å
355F36.3Very low37.3Very low109 Ų10985.3 Ų85.348%0.47842%0.418SS..Hα-helixtrans-62.1-28.5-179.2-75-63.5000115.2N351 F352 S358 L359N351-F355 HydrophobicContact CB-CD2 4.18Å; N351-F355 HydrophobicContact CB-CE2 3.96Å; N351-F355 WeakPolarHBondContact O-CD2 3.02Å; N351-F355 PolarHBondContact O-N 3.05Å; F352-F355 PolarHBondContact O-N 3.37Å; F355-S358 WeakPolarHBondContact CA-OG 3.33Å; F355-S358 VanDerWaalsContact O-CB 3.3Å; F355-S358 WeakPolarHBondContact O-CB 3.23Å; F355-L359 PolarHBondContact O-N 2.71Å; F355-L359 VanDerWaalsContact O-N 3.16Å
356K34.8Very low37.6Very low48 Ų4879.5 Ų79.521%0.20939%0.388CS..Hα-helixtrans-73.4-43.5-179.6-170.5-173.1174.6-162.10111.7F352 K353 V354 L359 V360F352-K356 PolarHBondContact O-N 3.33Å; F352-K356 VanDerWaalsContact O-N 3.07Å; K353-K356 PolarHBondContact O-N 3.35Å; V354-K356 VanDerWaalsContact C-N 3.3Å; V354-K356 PolarHBondContact O-N 2.67Å; K356-L359 PolarHBondContact O-N 3.18Å; K356-V360 PolarHBondContact O-N 2.91Å
357D37.3Very low37.7Very low85 Ų8570.7 Ų70.746%0.45535%0.348SS..Hα-helixtrans-67.4-33.9174.5-65.8-18000109.5K353 V354 L359 V360 N361K353-D357 PolarHBondContact O-N 2.99Å; V354-D357 PolarHBondContact O-N 3.48Å; D357-L359 PolarHBondContact O-N 3.44Å; D357-V360 PolarHBondContact O-N 3.45Å; D357-N361 VanDerWaalsContact O-CB 3.24Å; D357-N361 WeakPolarHBondContact O-CB 3.24Å; D357-N361 PolarHBondContact O-N 3.02Å; D357-N361 PolarHBondContact O-ND2 2.82Å
358S41.3Very low37.8Very low5 Ų563.3 Ų63.34%0.03532%0.322CS..Hα-helixtrans-56.7-46.5171.8-43.30000113.4V268 V354 F355 N361 I362V268-S358 VanDerWaalsContact CG1-CB 3.49Å; V268-S358 VanDerWaalsContact CG1-OG 3.29Å; V268-S358 WeakPolarHBondContact CG1-OG 3.09Å; V268-S358 VanDerWaalsContact CG2-CB 3.44Å; V268-S358 WeakPolarHBondContact CG2-OG 3.35Å; V354-S358 PolarHBondContact O-N 3.27Å; V354-S358 PolarHBondContact O-OG 3.37Å; F355-S358 WeakPolarHBondContact CA-OG 3.33Å; F355-S358 VanDerWaalsContact O-CB 3.3Å; F355-S358 WeakPolarHBondContact O-CB 3.23Å; S358-N361 PolarHBondContact O-N 2.82Å; S358-I362 VanDerWaalsContact O-CB 3.27Å; S358-I362 WeakPolarHBondContact O-CB 3.29Å; S358-I362 VanDerWaalsContact O-CD1 3.32Å; S358-I362 WeakPolarHBondContact O-CD1 3.48Å; S358-I362 WeakPolarHBondContact O-CG1 3.38Å; S358-I362 PolarHBondContact O-N 3.47Å
359L41.4Very low37.9Very low38 Ų3859 Ų5920%0.19930%0.3CS..Hα-helixtrans-64.6-47.2-177.3-17091.4000111.2L337 L341 F355 K356 D357 N361 I362 V363L337-L359 HydrophobicContact CD2-CD1 3.95Å; L341-L359 HydrophobicContact CD1-CD1 4.11Å; L341-L359 HydrophobicContact CD1-CD2 3.97Å; L341-L359 HydrophobicContact CD2-CD1 4.48Å; L341-L359 HydrophobicContact CD2-CD2 3.97Å; F355-L359 PolarHBondContact O-N 2.71Å; F355-L359 VanDerWaalsContact O-N 3.16Å; K356-L359 PolarHBondContact O-N 3.18Å; D357-L359 PolarHBondContact O-N 3.44Å; L359-N361 VanDerWaalsContact C-N 3.27Å; L359-N361 PolarHBondContact O-N 3.42Å; L359-I362 PolarHBondContact O-N 3.13Å; L359-V363 HydrophobicContact CG-CG2 4.5Å; L359-V363 WeakPolarHBondContact O-CB 3.32Å; L359-V363 VanDerWaalsContact O-CG2 3.24Å; L359-V363 WeakPolarHBondContact O-CG2 3.46Å; L359-V363 PolarHBondContact O-N 3.16Å
360V40.4Very low38.2Very low47 Ų4749.5 Ų49.529%0.28526%0.259SS..Hα-helixtrans-60.4-43.9177.8173.80000109.9K356 D357 V363 I364 L432K356-V360 PolarHBondContact O-N 2.91Å; D357-V360 PolarHBondContact O-N 3.45Å; V360-V363 PolarHBondContact O-N 3.24Å; V360-I364 HydrophobicContact CG1-CD1 3.65Å; V360-I364 HydrophobicContact CG1-CG1 4.34Å; V360-I364 WeakPolarHBondContact O-CB 3.5Å; V360-I364 VanDerWaalsContact O-CG1 3.29Å; V360-I364 WeakPolarHBondContact O-CG1 3.41Å; V360-I364 PolarHBondContact O-N 3.01Å; V360-L432 HydrophobicContact CG1-CD1 4.31Å; V360-L432 HydrophobicContact CG1-CD2 4.09Å; V360-L432 HydrophobicContact CG2-CD2 3.99Å
361N42Very low38.2Very low31 Ų3150.2 Ų50.217%0.16625%0.253CS..Hα-helixtrans-62.8-45.3176.3-69.7-17.1000111.7L272 D357 S358 L359 V363 I364 A365L272-N361 HydrophobicContact CD1-CB 3.53Å; D357-N361 VanDerWaalsContact O-CB 3.24Å; D357-N361 WeakPolarHBondContact O-CB 3.24Å; D357-N361 PolarHBondContact O-N 3.02Å; D357-N361 PolarHBondContact O-ND2 2.82Å; S358-N361 PolarHBondContact O-N 2.82Å; L359-N361 VanDerWaalsContact C-N 3.27Å; L359-N361 PolarHBondContact O-N 3.42Å; N361-V363 VanDerWaalsContact C-N 3.29Å; N361-V363 PolarHBondContact O-N 2.91Å; N361-I364 PolarHBondContact O-N 3.42Å; N361-A365 WeakPolarHBondContact O-CA 3.41Å; N361-A365 WeakPolarHBondContact O-CB 3.43Å; N361-A365 PolarHBondContact O-N 3.17Å
362I42.8Very low38.5Very low40 Ų4048.5 Ų48.521%0.20524%0.24CC..Hα-helixtrans-61.8-34.7176.7-71.6161.5000111.4I329 S358 L359 A365 S366I329-I362 HydrophobicContact CD1-CG2 4.06Å; S358-I362 VanDerWaalsContact O-CB 3.27Å; S358-I362 WeakPolarHBondContact O-CB 3.29Å; S358-I362 VanDerWaalsContact O-CD1 3.32Å; S358-I362 WeakPolarHBondContact O-CD1 3.48Å; S358-I362 WeakPolarHBondContact O-CG1 3.38Å; S358-I362 PolarHBondContact O-N 3.47Å; L359-I362 PolarHBondContact O-N 3.13Å; I362-A365 WeakPolarHBondContact O-CB 3.4Å; I362-S366 VanDerWaalsContact O-CB 3.29Å; I362-S366 WeakPolarHBondContact O-CB 3.3Å; I362-S366 PolarHBondContact O-N 3.05Å; I362-S366 PolarHBondContact O-OG 3.18Å
363V43.3Very low38.8Very low14 Ų1447.3 Ų47.39%0.08524%0.235CC..Hα-helixtrans-76.1-49.3178.7171.90000111.3L359 V360 N361 A365 S366 G367 V392 L396 L436L359-V363 HydrophobicContact CG-CG2 4.5Å; L359-V363 WeakPolarHBondContact O-CB 3.32Å; L359-V363 VanDerWaalsContact O-CG2 3.24Å; L359-V363 WeakPolarHBondContact O-CG2 3.46Å; L359-V363 PolarHBondContact O-N 3.16Å; V360-V363 PolarHBondContact O-N 3.24Å; N361-V363 VanDerWaalsContact C-N 3.29Å; N361-V363 PolarHBondContact O-N 2.91Å; V363-A365 PolarHBondContact O-N 3.34Å; V363-S366 PolarHBondContact O-N 2.93Å; V363-G367 PolarHBondContact O-N 3.22Å; V363-V392 HydrophobicContact CG2-CG1 4.02Å; V363-L396 HydrophobicContact CG1-CD1 4.24Å; V363-L396 HydrophobicContact CG2-CD1 4.26Å; V363-L436 HydrophobicContact CG1-CD2 3.61Å
364I39.5Very low38.9Very low52 Ų5243.4 Ų43.427%0.26722%0.216SC..Hα-helixtrans-54.8-42.8174.1-72.4168.9000109.5V360 N361 G367 L368 L432V360-I364 HydrophobicContact CG1-CD1 3.65Å; V360-I364 HydrophobicContact CG1-CG1 4.34Å; V360-I364 WeakPolarHBondContact O-CB 3.5Å; V360-I364 VanDerWaalsContact O-CG1 3.29Å; V360-I364 WeakPolarHBondContact O-CG1 3.41Å; V360-I364 PolarHBondContact O-N 3.01Å; N361-I364 PolarHBondContact O-N 3.42Å; I364-G367 CarbonylContact O-C 3.5Å; I364-G367 PolarHBondContact O-N 3.01Å; I364-L368 HydrophobicContact CG2-CD1 3.59Å; I364-L368 HydrophobicContact CG2-CG 4.26Å; I364-L368 WeakPolarHBondContact O-CB 3.25Å; I364-L368 WeakPolarHBondContact O-CG 3.38Å; I364-L368 PolarHBondContact O-N 2.98Å; I364-L432 HydrophobicContact CG1-CD1 4.2Å
365A41.1Very low38.9Very low5 Ų544.1 Ų44.14%0.04122%0.221CC..Hα-helixtrans-62.2-49.917700000116.5L275 N361 I362 V363 G367 L368 S369L275-A365 HydrophobicContact CD1-CB 2.9Å; L275-A365 HydrophobicContact CD2-CB 3.02Å; L275-A365 WeakPolarHBondContact CD2-O 3.27Å; L275-A365 HydrophobicContact CG-CB 3.37Å; N361-A365 WeakPolarHBondContact O-CA 3.41Å; N361-A365 WeakPolarHBondContact O-CB 3.43Å; N361-A365 PolarHBondContact O-N 3.17Å; I362-A365 WeakPolarHBondContact O-CB 3.4Å; V363-A365 PolarHBondContact O-N 3.34Å; A365-G367 PolarHBondContact O-N 2.85Å; A365-L368 PolarHBondContact O-N 2.89Å; A365-S369 WeakPolarHBondContact O-CB 3.39Å; A365-S369 PolarHBondContact O-N 2.9Å; A365-S369 PolarHBondContact O-OG 2.6Å
366S41.1Very low38.9Very low17 Ų1742.6 Ų42.612%0.11922%0.22CC..Hα-helixtrans-58-38.6177.1-62.40000109.2I362 V363 E370I362-S366 VanDerWaalsContact O-CB 3.29Å; I362-S366 WeakPolarHBondContact O-CB 3.3Å; I362-S366 PolarHBondContact O-N 3.05Å; I362-S366 PolarHBondContact O-OG 3.18Å; V363-S366 PolarHBondContact O-N 2.93Å; S366-E370 WeakPolarHBondContact O-CB 3.22Å; S366-E370 PolarHBondContact O-N 3.03Å
367G38.8Very low38.9Very low0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-81.3-29.4179.300000115.9V363 I364 A365 E370 F371 F439V363-G367 PolarHBondContact O-N 3.22Å; I364-G367 CarbonylContact O-C 3.5Å; I364-G367 PolarHBondContact O-N 3.01Å; A365-G367 PolarHBondContact O-N 2.85Å; G367-E370 PolarHBondContact O-N 3.07Å; G367-F371 WeakPolarHBondContact O-CB 3.46Å; G367-F371 PolarHBondContact O-N 3.38Å; G367-F439 VanDerWaalsContact O-CE1 3.25Å; G367-F439 WeakPolarHBondContact O-CE1 3.42Å
368L38.2Very low39.1Very low54 Ų5441 Ų4128%0.28321%0.21SC..Hα-helixtrans-70.9-39.9169.4-80.4168.5000111.1L279 I364 A365 E370 F371 Y372L279-L368 HydrophobicContact CD1-CD1 3.98Å; L279-L368 HydrophobicContact CD2-CB 4Å; L279-L368 HydrophobicContact CD2-CD1 3.98Å; L279-L368 HydrophobicContact CD2-CD2 4.07Å; L279-L368 HydrophobicContact CD2-CG 4.23Å; I364-L368 HydrophobicContact CG2-CD1 3.59Å; I364-L368 HydrophobicContact CG2-CG 4.26Å; I364-L368 WeakPolarHBondContact O-CB 3.25Å; I364-L368 WeakPolarHBondContact O-CG 3.38Å; I364-L368 PolarHBondContact O-N 2.98Å; A365-L368 PolarHBondContact O-N 2.89Å; L368-E370 VanDerWaalsContact C-N 3.31Å; L368-F371 PolarHBondContact O-N 2.88Å; L368-Y372 PolarHBondContact O-N 3.44Å
369S39.3Very low39Very low14 Ų1442.2 Ų42.210%0.09822%0.216CC..Hα-helixtrans-54.6-51165.2-57.50000109.3Y278 A365 F371 Y372 W373Y278-S369 PolarHBondContact OH-O 2.83Å; A365-S369 WeakPolarHBondContact O-CB 3.39Å; A365-S369 PolarHBondContact O-N 2.9Å; A365-S369 PolarHBondContact O-OG 2.6Å; S369-F371 PolarHBondContact O-N 2.73Å; S369-Y372 PolarHBondContact O-N 3.04Å; S369-W373 VanDerWaalsContact O-CB 3.3Å; S369-W373 WeakPolarHBondContact O-CB 3.5Å; S369-W373 PolarHBondContact O-N 2.94Å
370E40.6Very low39.1Very low4 Ų441.5 Ų41.52%0.01921%0.214CC..Hα-helixtrans-62.5-43.5179.8-164.8-165-175.200114.1S366 G367 L368 Y372 W373 R374 L385 V389S366-E370 WeakPolarHBondContact O-CB 3.22Å; S366-E370 PolarHBondContact O-N 3.03Å; G367-E370 PolarHBondContact O-N 3.07Å; L368-E370 VanDerWaalsContact C-N 3.31Å; E370-Y372 PolarHBondContact O-N 3.05Å; E370-W373 CarbonylContact O-C 3.55Å; E370-W373 WeakPolarHBondContact O-CA 3.1Å; E370-W373 WeakPolarHBondContact O-CB 3.35Å; E370-W373 PolarHBondContact O-N 3.48Å; E370-W373 VanDerWaalsContact O-N 3.08Å; E370-R374 PolarHBondContact O-N 2.83Å; E370-L385 HydrophobicContact CB-CD2 3.81Å; E370-L385 HydrophobicContact CB-CG 4.37Å; E370-L385 HydrophobicContact CG-CD2 3.81Å; E370-L385 HydrophobicContact CG-CG 4.14Å; E370-V389 VanDerWaalsContact OE2-CG1 3.31Å; E370-V389 WeakPolarHBondContact OE2-CG1 3.28Å; E370-V389 WeakPolarHBondContact OE2-CG2 3.48Å
371F34.9Very low39.2Very low121 Ų12141 Ų4153%0.53121%0.209SC..Hα-helixtrans-58-38.4-177.3-176.8-98.6000111.9G367 L368 S369 I442G367-F371 WeakPolarHBondContact O-CB 3.46Å; G367-F371 PolarHBondContact O-N 3.38Å; L368-F371 PolarHBondContact O-N 2.88Å; S369-F371 PolarHBondContact O-N 2.73Å; F371-I442 HydrophobicContact CD2-CD1 4.3Å
372Y38Very low39.4Very low48 Ų4843 Ų4319%0.18821%0.214CC..Hα-helixtrans-87.6-24.1175.3-178.1-85.7000113.3Y278 C282 L368 S369 E370 R374 T375 T376Y278-Y372 HydrophobicContact CE1-CD1 4.21Å; Y278-Y372 HydrophobicContact CE1-CG 4.29Å; Y278-Y372 HydrophobicContact CE2-CD1 4.16Å; Y278-Y372 AromaticContact CZ-CD1 3.59Å; Y278-Y372 VanDerWaalsContact OH-CB 3.28Å; Y278-Y372 WeakPolarHBondContact OH-CB 3.49Å; Y278-Y372 WeakPolarHBondContact OH-CD1 3.21Å; C282-Y372 HydrophobicContact CB-CD1 4.33Å; C282-Y372 HydrophobicContact CB-CD2 3.37Å; C282-Y372 HydrophobicContact CB-CE1 4.21Å; C282-Y372 HydrophobicContact CB-CE2 3.23Å; C282-Y372 HydrophobicContact CB-CG 3.91Å; C282-Y372 WeakPolarHBondContact SG-CD1 3.41Å; C282-Y372 WeakPolarHBondContact SG-CD2 3.37Å; C282-Y372 WeakPolarHBondContact SG-CE1 3.04Å; C282-Y372 WeakPolarHBondContact SG-CE2 2.98Å; L368-Y372 PolarHBondContact O-N 3.44Å; S369-Y372 PolarHBondContact O-N 3.04Å; E370-Y372 PolarHBondContact O-N 3.05Å; Y372-R374 VanDerWaalsContact C-N 3.32Å; Y372-T375 PolarHBondContact O-N 3.35Å; Y372-T375 PolarHBondContact O-OG1 3.42Å; Y372-T376 PolarHBondContact O-N 2.74Å; Y372-T376 PolarHBondContact O-OG1 2.62Å
373W35.4Very low39.6Very low21 Ų2141.2 Ų41.28%0.0821%0.206CC..Hα-helixtrans-61.6-39.4167.4-97.386.4000112.2Y278 C323 S369 E370 T375 T376 W377 D381Y278-W373 VanDerWaalsContact OH-CD1 3.24Å; Y278-W373 PolarHBondContact OH-N 3.04Å; C323-W373 HydrophobicContact CB-CZ2 4.2Å; S369-W373 VanDerWaalsContact O-CB 3.3Å; S369-W373 WeakPolarHBondContact O-CB 3.5Å; S369-W373 PolarHBondContact O-N 2.94Å; E370-W373 CarbonylContact O-C 3.55Å; E370-W373 WeakPolarHBondContact O-CA 3.1Å; E370-W373 WeakPolarHBondContact O-CB 3.35Å; E370-W373 PolarHBondContact O-N 3.48Å; E370-W373 VanDerWaalsContact O-N 3.08Å; W373-T375 PolarHBondContact O-N 3.18Å; W373-T376 PolarHBondContact O-N 3.02Å; W373-W377 HydrophobicContact CD2-CB 3.89Å; W373-W377 HydrophobicContact CD2-CG 4.18Å; W373-W377 HydrophobicContact CE3-CB 3.19Å; W373-W377 AromaticContact CE3-CG 3.88Å; W373-W377 HydrophobicContact CE3-CG 3.88Å; W373-W377 HydrophobicContact CH2-CB 4.15Å; W373-W377 HydrophobicContact CH2-CD2 4.35Å; W373-W377 HydrophobicContact CH2-CE3 4.4Å; W373-W377 HydrophobicContact CH2-CG 4.26Å; W373-W377 HydrophobicContact CZ3-CB 3.33Å; W373-W377 HydrophobicContact CZ3-CD2 4.36Å; W373-W377 AromaticContact CZ3-CG 3.9Å; W373-W377 HydrophobicContact CZ3-CG 3.9Å; W373-W377 PolarHBondContact O-N 3.44Å; W373-W377 VanDerWaalsContact O-N 3.11Å; W373-D381 HydrophobicContact CE3-CB 4.06Å; W373-D381 HydrophobicContact CH2-CB 3.74Å; W373-D381 WeakPolarHBondContact CH2-OD2 3.21Å; W373-D381 HydrophobicContact CZ3-CB 3.34Å
374R35.3Very low39.9Very low74 Ų7442.1 Ų42.128%0.27921%0.209SC..Hα-helixtrans-55.2-35.9175.5-89-168.7140.1-152.9-1.2112.8E370 Y372 R382 I442 D445 V446E370-R374 PolarHBondContact O-N 2.83Å; Y372-R374 VanDerWaalsContact C-N 3.32Å; R374-R382 PolarHBondContact O-NH2 2.88Å; R374-I442 HydrophobicContact CG-CG2 4.43Å; R374-I442 PolarHBondContact NH2-O 3.25Å; R374-D445 IonicContact NH2-OD2 3.77Å; R374-V446 HydrophobicContact CG-CG2 4.48Å
375T34.9Very low40.3Very low100 Ų10040.3 Ų40.361%0.61320%0.2SC*.Hα-helixtrans-88.8-15.3-174.450.90000113.2Y372 W373Y372-T375 PolarHBondContact O-N 3.35Å; Y372-T375 PolarHBondContact O-OG1 3.42Å; W373-T375 PolarHBondContact O-N 3.18Å
376T37Very low40.8Very low76 Ų7640.1 Ų40.147%0.46620%0.198SC..Hα-helixtrans-134.2-18.7-164-24.60000116.2Y372 W373Y372-T376 PolarHBondContact O-N 2.74Å; Y372-T376 PolarHBondContact O-OG1 2.62Å; W373-T376 PolarHBondContact O-N 3.02Å
377W34.7Very low41.2Very low55 Ų5543 Ų4321%0.20821%0.206CC..SBendtrans-128.7175.2-163.8-78.295000117.3M164 W373 R382M164-W377 HydrophobicContact CE-CE3 4.37Å; M164-W377 HydrophobicContact CE-CH2 3.07Å; M164-W377 HydrophobicContact CE-CZ2 3.64Å; M164-W377 HydrophobicContact CE-CZ3 3.51Å; M164-W377 HydrophobicContact SD-CE3 4.07Å; M164-W377 HydrophobicContact SD-CH2 3.19Å; M164-W377 WeakPolarHBondContact SD-CH2 3.31Å; M164-W377 HydrophobicContact SD-CZ2 4.29Å; M164-W377 HydrophobicContact SD-CZ3 3.04Å; M164-W377 WeakPolarHBondContact SD-CZ3 3.14Å; W373-W377 HydrophobicContact CD2-CB 3.89Å; W373-W377 HydrophobicContact CD2-CG 4.18Å; W373-W377 HydrophobicContact CE3-CB 3.19Å; W373-W377 AromaticContact CE3-CG 3.88Å; W373-W377 HydrophobicContact CE3-CG 3.88Å; W373-W377 HydrophobicContact CH2-CB 4.15Å; W373-W377 HydrophobicContact CH2-CD2 4.35Å; W373-W377 HydrophobicContact CH2-CE3 4.4Å; W373-W377 HydrophobicContact CH2-CG 4.26Å; W373-W377 HydrophobicContact CZ3-CB 3.33Å; W373-W377 HydrophobicContact CZ3-CD2 4.36Å; W373-W377 AromaticContact CZ3-CG 3.9Å; W373-W377 HydrophobicContact CZ3-CG 3.9Å; W373-W377 PolarHBondContact O-N 3.44Å; W373-W377 VanDerWaalsContact O-N 3.11Å; W377-R382 PolarHBondContact O-NE 3.05Å; W377-R382 PolarHBondContact O-NH2 3.39Å
378L41.4Very low41.7Very low46 Ų4644.3 Ų44.324%0.24121%0.213CC..  trans-63.5140.9-172.4-58.2170.2000114Y147 S380 R382Y147-L378 HydrophobicContact CD1-CD2 4.02Å; Y147-L378 HydrophobicContact CE1-CB 3.65Å; Y147-L378 HydrophobicContact CE1-CD2 3.32Å; Y147-L378 HydrophobicContact CE1-CG 4.05Å; Y147-L378 HydrophobicContact CE2-CD2 4.33Å; Y147-L378 VanDerWaalsContact CZ-CD2 3.48Å; L378-S380 PolarHBondContact O-N 2.86Å; L378-R382 WeakPolarHBondContact O-CG 3.43Å; L378-R382 PolarHBondContact O-N 3.22Å
379L39.4Very low42.4Very low30 Ų3042 Ų4216%0.15720%0.201CC..Hα-helixtrans-70.8-16.8-167.8-167.5106.3000114.7Q134 C145 Y147 R382 L383 L450Q134-L379 VanDerWaalsContact CD-CB 3.47Å; Q134-L379 VanDerWaalsContact NE2-CB 3.29Å; Q134-L379 PolarHBondContact NE2-O 3.15Å; Q134-L379 VanDerWaalsContact OE1-CB 3.25Å; C145-L379 HydrophobicContact CB-CD2 3.62Å; Y147-L379 HydrophobicContact CD1-CB 4.21Å; Y147-L379 HydrophobicContact CE1-CB 4.37Å; L379-R382 WeakPolarHBondContact O-CB 3.22Å; L379-R382 PolarHBondContact O-N 3.37Å; L379-L383 PolarHBondContact O-N 3.05Å; L379-L450 HydrophobicContact CD2-CD1 3.87Å; L379-L450 HydrophobicContact CD2-CD2 4.18Å; L379-L450 HydrophobicContact CG-CD1 4.25Å
380S42.2Very low43Very low22 Ų2242.3 Ų42.315%0.15420%0.2CC..Hα-helixtrans-76.4-42.5-177.154.60000110.3L378 R382 L383 Q384L378-S380 PolarHBondContact O-N 2.86Å; S380-R382 VanDerWaalsContact C-N 3.33Å; S380-L383 PolarHBondContact O-N 2.84Å; S380-Q384 PolarHBondContact O-N 2.88Å
381D43.9Very low43.5Very low36 Ų3645.2 Ų45.219%0.19322%0.221CC..Hα-helixtrans-72-34.5173.3-61-22.9000109.1R327 W373 L383 L385R327-D381 IonicContact CZ-OD1 3.22Å; R327-D381 IonicContact NH2-OD1 3.93Å; R327-D381 PolarHBondContact NH2-OD1 2.94Å; W373-D381 HydrophobicContact CE3-CB 4.06Å; W373-D381 HydrophobicContact CH2-CB 3.74Å; W373-D381 WeakPolarHBondContact CH2-OD2 3.21Å; W373-D381 HydrophobicContact CZ3-CB 3.34Å; D381-L383 VanDerWaalsContact C-N 3.31Å; D381-L383 PolarHBondContact O-N 2.74Å; D381-L385 WeakPolarHBondContact O-CA 3.23Å; D381-L385 WeakPolarHBondContact O-CB 3.11Å; D381-L385 PolarHBondContact O-N 2.94Å
382R46.2Very low44.2Very low73 Ų7340.9 Ų40.928%0.27521%0.205SC..Hα-helixtrans-57-42.3166.9-62.3-177.9-164.7-170.2-3.2112.3R374 W377 L378 L379 S380 G386 V446R374-R382 PolarHBondContact O-NH2 2.88Å; W377-R382 PolarHBondContact O-NE 3.05Å; W377-R382 PolarHBondContact O-NH2 3.39Å; L378-R382 WeakPolarHBondContact O-CG 3.43Å; L378-R382 PolarHBondContact O-N 3.22Å; L379-R382 WeakPolarHBondContact O-CB 3.22Å; L379-R382 PolarHBondContact O-N 3.37Å; S380-R382 VanDerWaalsContact C-N 3.33Å; R382-G386 WeakPolarHBondContact O-CA 3.37Å; R382-G386 PolarHBondContact O-N 2.94Å; R382-V446 HydrophobicContact CB-CG1 4.05Å
383L47.1Very low45Very low4 Ų438.7 Ų38.72%0.02120%0.196CC..Hα-helixtrans-72.1-48.2-178.5-170.584.3000111.9V136 L379 S380 D381 R387 L447 L450V136-L383 HydrophobicContact CB-CD2 3.92Å; V136-L383 HydrophobicContact CG1-CD2 3.69Å; V136-L383 HydrophobicContact CG2-CD2 3.7Å; L379-L383 PolarHBondContact O-N 3.05Å; S380-L383 PolarHBondContact O-N 2.84Å; D381-L383 VanDerWaalsContact C-N 3.31Å; D381-L383 PolarHBondContact O-N 2.74Å; L383-R387 WeakPolarHBondContact O-CB 3.25Å; L383-R387 VanDerWaalsContact O-CG 3.26Å; L383-R387 WeakPolarHBondContact O-CG 3.43Å; L383-R387 PolarHBondContact O-N 3.38Å; L383-L447 HydrophobicContact CD1-CD2 3.44Å; L383-L447 VanDerWaalsContact CD1-CD2 3.44Å; L383-L447 HydrophobicContact CG-CD2 4.07Å; L383-L450 HydrophobicContact CD1-CB 3.66Å; L383-L450 HydrophobicContact CD1-CD1 3.43Å; L383-L450 VanDerWaalsContact CD1-CD1 3.43Å; L383-L450 HydrophobicContact CD1-CG 4.18Å
384Q48.6Very low45.7Very low33 Ų3338.6 Ų38.615%0.15420%0.198CC..Hα-helixtrans-62.7-45.1177.9-76.3-178.6-900111.1R327 H330 S380 R387 L388R327-Q384 VanDerWaalsContact NH2-OE1 3.14Å; H330-Q384 PolarHBondContact CE1-O 2.93Å; S380-Q384 PolarHBondContact O-N 2.88Å; Q384-R387 PolarHBondContact O-N 2.77Å; Q384-L388 PolarHBondContact O-N 2.91Å
385L48.3Very low46.5Very low14 Ų1437.6 Ų37.67%0.07320%0.196CC..Hα-helixtrans-67.6-47177-172.960.6000111.3E370 D381 R387 L388 V389E370-L385 HydrophobicContact CB-CD2 3.81Å; E370-L385 HydrophobicContact CB-CG 4.37Å; E370-L385 HydrophobicContact CG-CD2 3.81Å; E370-L385 HydrophobicContact CG-CG 4.14Å; D381-L385 WeakPolarHBondContact O-CA 3.23Å; D381-L385 WeakPolarHBondContact O-CB 3.11Å; D381-L385 PolarHBondContact O-N 2.94Å; L385-R387 PolarHBondContact O-N 2.83Å; L385-L388 HydrophobicContact CD1-CD2 4.38Å; L385-L388 CarbonylContact O-C 3.47Å; L385-L388 WeakPolarHBondContact O-CA 3.06Å; L385-L388 PolarHBondContact O-N 2.86Å; L385-V389 HydrophobicContact CD1-CG2 3.97Å; L385-V389 HydrophobicContact CG-CG2 4.06Å; L385-V389 WeakPolarHBondContact O-CB 3.49Å; L385-V389 WeakPolarHBondContact O-CG2 3.18Å; L385-V389 PolarHBondContact O-N 3.37Å
386G51.2Low47.4Very low0 Ų034.2 Ų34.20%017%0.174CC..Hα-helixtrans-56.1-39.8175.100000111.6R382 Y390 A443R382-G386 WeakPolarHBondContact O-CA 3.37Å; R382-G386 PolarHBondContact O-N 2.94Å; G386-Y390 WeakPolarHBondContact O-CB 3.44Å; G386-Y390 PolarHBondContact O-N 2.9Å; G386-A443 WeakPolarHBondContact O-CB 3.29Å
387R50.6Low48.2Very low77 Ų7730.8 Ų30.829%0.29115%0.153SC..Hα-helixtrans-64.1-43.5172.3-76.6178.3-179.3-1710.9112.7L383 Q384 L385 S391 L447L383-R387 WeakPolarHBondContact O-CB 3.25Å; L383-R387 VanDerWaalsContact O-CG 3.26Å; L383-R387 WeakPolarHBondContact O-CG 3.43Å; L383-R387 PolarHBondContact O-N 3.38Å; Q384-R387 PolarHBondContact O-N 2.77Å; L385-R387 PolarHBondContact O-N 2.83Å; R387-S391 VanDerWaalsContact O-CB 3.3Å; R387-S391 WeakPolarHBondContact O-CB 3.48Å; R387-S391 PolarHBondContact O-N 3.33Å; R387-S391 PolarHBondContact O-OG 3.28Å; R387-L447 HydrophobicContact CG-CD1 4.08Å; R387-L447 HydrophobicContact CG-CD2 3.64Å
388L48.7Very low48.9Very low28 Ų2832.5 Ų32.515%0.14717%0.166CC..Hα-helixtrans-66.4-52.3178176.372.2000111.3I329 H330 Q384 L385 Y390 S391 V392I329-L388 HydrophobicContact CG2-CD2 4.43Å; H330-L388 WeakPolarHBondContact CE1-CB 3.4Å; H330-L388 WeakPolarHBondContact CE1-CD2 3.18Å; H330-L388 VanDerWaalsContact ND1-CB 3.33Å; H330-L388 WeakPolarHBondContact ND1-CB 3.25Å; H330-L388 VanDerWaalsContact ND1-CD2 3.3Å; H330-L388 WeakPolarHBondContact ND1-CD2 3.47Å; Q384-L388 PolarHBondContact O-N 2.91Å; L385-L388 HydrophobicContact CD1-CD2 4.38Å; L385-L388 CarbonylContact O-C 3.47Å; L385-L388 WeakPolarHBondContact O-CA 3.06Å; L385-L388 PolarHBondContact O-N 2.86Å; L388-Y390 VanDerWaalsContact C-N 3.27Å; L388-Y390 PolarHBondContact O-N 3.46Å; L388-S391 CarbonylContact O-C 3.52Å; L388-S391 WeakPolarHBondContact O-CA 3.44Å; L388-S391 WeakPolarHBondContact O-CB 3.49Å; L388-S391 PolarHBondContact O-N 3.06Å; L388-V392 HydrophobicContact CD1-CG2 4.02Å; L388-V392 HydrophobicContact CG-CG2 4.21Å; L388-V392 WeakPolarHBondContact O-CB 3.31Å; L388-V392 WeakPolarHBondContact O-CG2 3.35Å; L388-V392 PolarHBondContact O-N 2.89Å
389V52.2Low49.2Very low6 Ų633 Ų334%0.03617%0.167CC..Hα-helixtrans-55.6-49178.5172.10000108.7E370 L385 S391 V392 T393 F439E370-V389 VanDerWaalsContact OE2-CG1 3.31Å; E370-V389 WeakPolarHBondContact OE2-CG1 3.28Å; E370-V389 WeakPolarHBondContact OE2-CG2 3.48Å; L385-V389 HydrophobicContact CD1-CG2 3.97Å; L385-V389 HydrophobicContact CG-CG2 4.06Å; L385-V389 WeakPolarHBondContact O-CB 3.49Å; L385-V389 WeakPolarHBondContact O-CG2 3.18Å; L385-V389 PolarHBondContact O-N 3.37Å; V389-S391 VanDerWaalsContact C-N 3.32Å; V389-S391 PolarHBondContact O-N 3.17Å; V389-V392 PolarHBondContact O-N 3.03Å; V389-T393 HydrophobicContact CG1-CG2 3.8Å; V389-T393 VanDerWaalsContact O-CB 3.32Å; V389-T393 WeakPolarHBondContact O-CB 3.18Å; V389-T393 WeakPolarHBondContact O-CG2 3.38Å; V389-T393 PolarHBondContact O-N 3.49Å; V389-T393 PolarHBondContact O-OG1 3.17Å; V389-F439 HydrophobicContact CG1-CB 3.69Å; V389-F439 HydrophobicContact CG1-CG 4.31Å
390Y52.7Low49.6Very low21 Ų2132 Ų328%0.08216%0.161CC..Hα-helixtrans-55.6-45.2172.9179.8-92.2000112.8G386 L388 T393 S394 A443 L447 D456 W457G386-Y390 WeakPolarHBondContact O-CB 3.44Å; G386-Y390 PolarHBondContact O-N 2.9Å; L388-Y390 VanDerWaalsContact C-N 3.27Å; L388-Y390 PolarHBondContact O-N 3.46Å; Y390-T393 WeakPolarHBondContact CA-OG1 3.43Å; Y390-T393 PolarHBondContact O-OG1 2.94Å; Y390-S394 VanDerWaalsContact CE1-OG 3.26Å; Y390-S394 WeakPolarHBondContact CE1-OG 3.35Å; Y390-S394 WeakPolarHBondContact CE2-OG 3.34Å; Y390-S394 WeakPolarHBondContact O-CA 3.22Å; Y390-S394 WeakPolarHBondContact O-CB 3.49Å; Y390-S394 PolarHBondContact O-N 3.13Å; Y390-S394 PolarHBondContact O-OG 3.06Å; Y390-S394 PolarHBondContact OH-OG 3.44Å; Y390-S394 VanDerWaalsContact OH-OG 3.09Å; Y390-A443 HydrophobicContact CD2-CB 4.47Å; Y390-L447 HydrophobicContact CG-CD1 4.44Å; Y390-D456 PolarHBondContact OH-O 2.61Å; Y390-W457 AromaticContact CE1-CD1 3.55Å; Y390-W457 AromaticContact CE1-NE1 3.9Å; Y390-W457 HydrophobicContact CE2-CB 4.33Å; Y390-W457 AromaticContact CE2-CD1 3.59Å; Y390-W457 HydrophobicContact CE2-CG 4.15Å; Y390-W457 AromaticContact CZ-CD1 3.23Å; Y390-W457 AromaticContact CZ-NE1 3.99Å; Y390-W457 WeakPolarHBondContact OH-CA 3.28Å; Y390-W457 PolarHBondContact OH-N 2.82Å
391S50.8Low49.9Very low64 Ų6432.8 Ų32.845%0.44817%0.167SC..Hα-helixtrans-63.9-43.9-179.4-610000111.2R387 L388 V389 F395R387-S391 VanDerWaalsContact O-CB 3.3Å; R387-S391 WeakPolarHBondContact O-CB 3.48Å; R387-S391 PolarHBondContact O-N 3.33Å; R387-S391 PolarHBondContact O-OG 3.28Å; L388-S391 CarbonylContact O-C 3.52Å; L388-S391 WeakPolarHBondContact O-CA 3.44Å; L388-S391 WeakPolarHBondContact O-CB 3.49Å; L388-S391 PolarHBondContact O-N 3.06Å; V389-S391 VanDerWaalsContact C-N 3.32Å; V389-S391 PolarHBondContact O-N 3.17Å; S391-F395 WeakPolarHBondContact O-CB 3.44Å; S391-F395 PolarHBondContact O-N 2.94Å
392V50.2Low50Low31 Ų3132.6 Ų32.619%0.18817%0.166CC..Hα-helixtrans-69.5-47.7179173.10000110.5V363 L388 V389 F395 L396V363-V392 HydrophobicContact CG2-CG1 4.02Å; L388-V392 HydrophobicContact CD1-CG2 4.02Å; L388-V392 HydrophobicContact CG-CG2 4.21Å; L388-V392 WeakPolarHBondContact O-CB 3.31Å; L388-V392 WeakPolarHBondContact O-CG2 3.35Å; L388-V392 PolarHBondContact O-N 2.89Å; V389-V392 PolarHBondContact O-N 3.03Å; V392-F395 PolarHBondContact O-N 3.19Å; V392-L396 HydrophobicContact CG1-CD1 3.88Å; V392-L396 HydrophobicContact CG1-CG 4.47Å; V392-L396 WeakPolarHBondContact O-CB 3.42Å; V392-L396 WeakPolarHBondContact O-CG 3.38Å; V392-L396 PolarHBondContact O-N 3.22Å
393T53.7Low50.1Low2 Ų235.4 Ų35.41%0.01219%0.191CC..Hα-helixtrans-65.8-45.9179.960.20000110.6V389 Y390 F395 L396 L397 L436 F439 S440V389-T393 HydrophobicContact CG1-CG2 3.8Å; V389-T393 VanDerWaalsContact O-CB 3.32Å; V389-T393 WeakPolarHBondContact O-CB 3.18Å; V389-T393 WeakPolarHBondContact O-CG2 3.38Å; V389-T393 PolarHBondContact O-N 3.49Å; V389-T393 PolarHBondContact O-OG1 3.17Å; Y390-T393 WeakPolarHBondContact CA-OG1 3.43Å; Y390-T393 PolarHBondContact O-OG1 2.94Å; T393-F395 VanDerWaalsContact C-N 3.34Å; T393-F395 PolarHBondContact O-N 2.9Å; T393-L396 PolarHBondContact O-N 2.92Å; T393-L397 VanDerWaalsContact O-CB 3.26Å; T393-L397 WeakPolarHBondContact O-CB 3.38Å; T393-L397 WeakPolarHBondContact O-CD1 3.37Å; T393-L397 WeakPolarHBondContact O-CG 3.43Å; T393-L397 PolarHBondContact O-N 3.23Å; T393-L436 HydrophobicContact CG2-CB 4.33Å; T393-L436 HydrophobicContact CG2-CD2 3.73Å; T393-F439 HydrophobicContact CG2-CB 3.65Å; T393-S440 WeakPolarHBondContact CB-OG 3.31Å; T393-S440 PolarHBondContact OG1-OG 3.18Å
394S51.3Low49.9Very low18 Ų1840.1 Ų40.113%0.12623%0.225CC..Hα-helixtrans-62.8-42176.7-61.30000111.4Y390 L397 L398Y390-S394 VanDerWaalsContact CE1-OG 3.26Å; Y390-S394 WeakPolarHBondContact CE1-OG 3.35Å; Y390-S394 WeakPolarHBondContact CE2-OG 3.34Å; Y390-S394 WeakPolarHBondContact O-CA 3.22Å; Y390-S394 WeakPolarHBondContact O-CB 3.49Å; Y390-S394 PolarHBondContact O-N 3.13Å; Y390-S394 PolarHBondContact O-OG 3.06Å; Y390-S394 PolarHBondContact OH-OG 3.44Å; Y390-S394 VanDerWaalsContact OH-OG 3.09Å; S394-L397 PolarHBondContact O-N 3.01Å; S394-L398 VanDerWaalsContact O-CB 3.27Å; S394-L398 WeakPolarHBondContact O-CB 3.29Å; S394-L398 PolarHBondContact O-N 3.43Å
395F52.3Low49.4Very low53 Ų5346.4 Ų46.423%0.23225%0.254CS..Hα-helixtrans-58.8-49.8174173.5-91.7000111.7L334 L338 S391 V392 T393 L397 L398 H399L334-F395 HydrophobicContact CD2-CD2 4.1Å; L334-F395 HydrophobicContact CD2-CG 4.4Å; L338-F395 HydrophobicContact CD1-CE1 4.42Å; L338-F395 HydrophobicContact CD1-CE2 3.77Å; L338-F395 HydrophobicContact CD1-CZ 3.63Å; L338-F395 HydrophobicContact CD2-CE1 3.41Å; L338-F395 VanDerWaalsContact CD2-CE1 3.41Å; L338-F395 HydrophobicContact CD2-CE2 4.17Å; L338-F395 HydrophobicContact CD2-CZ 3.17Å; L338-F395 HydrophobicContact CG-CE1 4.43Å; L338-F395 HydrophobicContact CG-CZ 4Å; S391-F395 WeakPolarHBondContact O-CB 3.44Å; S391-F395 PolarHBondContact O-N 2.94Å; V392-F395 PolarHBondContact O-N 3.19Å; T393-F395 VanDerWaalsContact C-N 3.34Å; T393-F395 PolarHBondContact O-N 2.9Å; F395-L397 PolarHBondContact O-N 3.47Å; F395-L398 PolarHBondContact O-N 3.04Å; F395-H399 AromaticContact CD2-NE2 3.92Å; F395-H399 AromaticContact CE1-CD2 3.48Å; F395-H399 VanDerWaalsContact CE1-CD2 3.48Å; F395-H399 WeakPolarHBondContact CE1-CD2 3.49Å; F395-H399 AromaticContact CE1-NE2 3.78Å; F395-H399 AromaticContact CE2-CD2 3.59Å; F395-H399 AromaticContact CE2-NE2 3.1Å; F395-H399 WeakPolarHBondContact CE2-NE2 3.37Å; F395-H399 AromaticContact CZ-CD2 3.23Å; F395-H399 WeakPolarHBondContact CZ-CD2 3.47Å; F395-H399 AromaticContact CZ-NE2 2.98Å; F395-H399 WeakPolarHBondContact CZ-NE2 3.43Å; F395-H399 PolarHBondContact O-CD2 3.16Å; F395-H399 VanDerWaalsContact O-CD2 3.23Å; F395-H399 PolarHBondContact O-N 3.41Å
396L52.4Low49Very low30 Ų3052 Ų5216%0.15728%0.278CS..Hα-helixtrans-62.8-42.2178.5-69.9171.3000111.4V363 V392 T393 H399 I400 L436V363-L396 HydrophobicContact CG1-CD1 4.24Å; V363-L396 HydrophobicContact CG2-CD1 4.26Å; V392-L396 HydrophobicContact CG1-CD1 3.88Å; V392-L396 HydrophobicContact CG1-CG 4.47Å; V392-L396 WeakPolarHBondContact O-CB 3.42Å; V392-L396 WeakPolarHBondContact O-CG 3.38Å; V392-L396 PolarHBondContact O-N 3.22Å; T393-L396 PolarHBondContact O-N 2.92Å; L396-H399 PolarHBondContact O-N 3.13Å; L396-I400 WeakPolarHBondContact O-CG1 3.32Å; L396-I400 PolarHBondContact O-N 2.91Å; L396-L436 HydrophobicContact CB-CD1 3.82Å; L396-L436 HydrophobicContact CD1-CD1 3.9Å; L396-L436 HydrophobicContact CD1-CD2 3.68Å; L396-L436 HydrophobicContact CD1-CG 4.47Å
397L53.5Low48.5Very low4 Ų463.6 Ų63.62%0.02132%0.322CS..Hα-helixtrans-65.9-43.2177.7-72.4163.8000112.3T393 S394 F395 H399 I400 S401 S440 I464T393-L397 VanDerWaalsContact O-CB 3.26Å; T393-L397 WeakPolarHBondContact O-CB 3.38Å; T393-L397 WeakPolarHBondContact O-CD1 3.37Å; T393-L397 WeakPolarHBondContact O-CG 3.43Å; T393-L397 PolarHBondContact O-N 3.23Å; S394-L397 PolarHBondContact O-N 3.01Å; F395-L397 PolarHBondContact O-N 3.47Å; L397-H399 PolarHBondContact O-N 3.06Å; L397-I400 HydrophobicContact CD2-CD1 4.13Å; L397-I400 WeakPolarHBondContact O-CB 3.4Å; L397-I400 PolarHBondContact O-N 2.89Å; L397-S401 PolarHBondContact O-N 3Å; L397-S401 VanDerWaalsContact O-N 3.11Å; L397-S401 PolarHBondContact O-OG 2.94Å; L397-S440 VanDerWaalsContact CD1-OG 3.31Å; L397-S440 WeakPolarHBondContact CD1-OG 3.38Å; L397-I464 HydrophobicContact CD1-CD1 3.58Å; L397-I464 HydrophobicContact CD1-CG1 3.93Å; L397-I464 HydrophobicContact CD2-CD1 4.48Å; L397-I464 HydrophobicContact CD2-CG1 3.96Å
398L50.4Low47.9Very low90 Ų9063.6 Ų63.647%0.47133%0.328SS..Hα-helixtrans-58.1-38.2177.7-152.289.7000110.4S394 F395 S401 D402S394-L398 VanDerWaalsContact O-CB 3.27Å; S394-L398 WeakPolarHBondContact O-CB 3.29Å; S394-L398 PolarHBondContact O-N 3.43Å; F395-L398 PolarHBondContact O-N 3.04Å; L398-S401 WeakPolarHBondContact CA-OG 3.38Å; L398-S401 PolarHBondContact O-N 2.6Å; L398-S401 PolarHBondContact O-OG 3.5Å; L398-D402 PolarHBondContact O-N 2.84Å
399H47.8Very low47.7Very low57 Ų5765.5 Ų65.526%0.26434%0.343SS..Hα-helixtrans-73.5-28.2176.1-77.9-54.7000114.7F395 L396 L397 S401 F406 K416F395-H399 AromaticContact CD2-NE2 3.92Å; F395-H399 AromaticContact CE1-CD2 3.48Å; F395-H399 VanDerWaalsContact CE1-CD2 3.48Å; F395-H399 WeakPolarHBondContact CE1-CD2 3.49Å; F395-H399 AromaticContact CE1-NE2 3.78Å; F395-H399 AromaticContact CE2-CD2 3.59Å; F395-H399 AromaticContact CE2-NE2 3.1Å; F395-H399 WeakPolarHBondContact CE2-NE2 3.37Å; F395-H399 AromaticContact CZ-CD2 3.23Å; F395-H399 WeakPolarHBondContact CZ-CD2 3.47Å; F395-H399 AromaticContact CZ-NE2 2.98Å; F395-H399 WeakPolarHBondContact CZ-NE2 3.43Å; F395-H399 PolarHBondContact O-CD2 3.16Å; F395-H399 VanDerWaalsContact O-CD2 3.23Å; F395-H399 PolarHBondContact O-N 3.41Å; L396-H399 PolarHBondContact O-N 3.13Å; L397-H399 PolarHBondContact O-N 3.06Å; H399-S401 VanDerWaalsContact C-N 3.31Å; H399-F406 AromaticContact CE1-CD2 3.58Å; H399-F406 AromaticContact CE1-CE2 3.76Å; H399-F406 AromaticContact ND1-CD2 3.78Å; H399-K416 WeakPolarHBondContact O-CE 3.21Å
400I47.2Very low47.5Very low9 Ų971.6 Ų71.65%0.04638%0.375CS..Hα-helixtrans-62.6-44.9169.2-61.8167.5000109.4L396 L397 K416 L419 Y467L396-I400 WeakPolarHBondContact O-CG1 3.32Å; L396-I400 PolarHBondContact O-N 2.91Å; L397-I400 HydrophobicContact CD2-CD1 4.13Å; L397-I400 WeakPolarHBondContact O-CB 3.4Å; L397-I400 PolarHBondContact O-N 2.89Å; I400-K416 WeakPolarHBondContact O-CE 3.49Å; I400-K416 PolarHBondContact O-NZ 3.12Å; I400-L419 HydrophobicContact CD1-CB 3.8Å; I400-L419 HydrophobicContact CD1-CD1 3.58Å; I400-L419 HydrophobicContact CD1-CD2 4.02Å; I400-L419 HydrophobicContact CD1-CG 4Å; I400-L419 HydrophobicContact CG1-CB 4.15Å; I400-L419 HydrophobicContact CG1-CD1 3.38Å; I400-L419 HydrophobicContact CG1-CG 4.26Å; I400-Y467 HydrophobicContact CG2-CE2 3.78Å; I400-Y467 WeakPolarHBondContact CG2-OH 3.27Å
401S49.1Very low46.9Very low38 Ų3875.8 Ų75.827%0.26639%0.39SS..Hα-helixtrans-75.8-20.4-175.760.70000115L397 L398 H399 T403 I463L397-S401 PolarHBondContact O-N 3Å; L397-S401 VanDerWaalsContact O-N 3.11Å; L397-S401 PolarHBondContact O-OG 2.94Å; L398-S401 WeakPolarHBondContact CA-OG 3.38Å; L398-S401 PolarHBondContact O-N 2.6Å; L398-S401 PolarHBondContact O-OG 3.5Å; H399-S401 VanDerWaalsContact C-N 3.31Å; S401-T403 PolarHBondContact O-N 3.23Å; S401-I463 VanDerWaalsContact OG-CD1 3.3Å; S401-I463 WeakPolarHBondContact OG-CD1 3.44Å
402D46Very low46.6Very low33 Ų3376.6 Ų76.618%0.17639%0.388CS..  trans-71108.9-176.7-17310.7000110.9L398 S404 E405 F406 K416L398-D402 PolarHBondContact O-N 2.84Å; D402-S404 PolarHBondContact OD1-N 2.98Å; D402-E405 PolarHBondContact OD1-N 3.33Å; D402-E405 PolarHBondContact OD2-N 3.44Å; D402-F406 WeakPolarHBondContact OD2-CB 3.4Å; D402-F406 WeakPolarHBondContact OD2-CD2 3.19Å; D402-F406 PolarHBondContact OD2-N 3.42Å; D402-K416 PolarHBondContact O-NZ 3.49Å
403T47.1Very low46.6Very low131 Ų13178.1 Ų78.180%0.80440%0.395SS*.SBendtrans-93-11.1175.246.40000113S401S401-T403 PolarHBondContact O-N 3.23Å
404S44.2Very low46.3Very low104 Ų10483.8 Ų83.873%0.72742%0.42SS*.SBendtrans-141.9-29.6-164.250.20000117.6D402D402-S404 PolarHBondContact OD1-N 2.98Å
405E38.4Very low45.9Very low164 Ų16485.1 Ų85.177%0.76643%0.427SS*.SBendtrans-92.4-40.2-171.6-78-166.715200114.1D402 R407D402-E405 PolarHBondContact OD1-N 3.33Å; D402-E405 PolarHBondContact OD2-N 3.44Å; E405-R407 PolarHBondContact O-N 3.17Å
406F38.6Very low45.7Very low132 Ų13284 Ų8458%0.57942%0.422SS*.SBendtrans-95.892.7177.7-69-70.1000110.3H399 D402 N408H399-F406 AromaticContact CE1-CD2 3.58Å; H399-F406 AromaticContact CE1-CE2 3.76Å; H399-F406 AromaticContact ND1-CD2 3.78Å; D402-F406 WeakPolarHBondContact OD2-CB 3.4Å; D402-F406 WeakPolarHBondContact OD2-CD2 3.19Å; D402-F406 PolarHBondContact OD2-N 3.42Å; F406-N408 PolarHBondContact O-N 2.85Å
407R40.1Very low45.7Very low244 Ų24487.1 Ų87.192%0.92144%0.439SS*.  trans-26.399.9171.6-66.4-179.2-178.8-177.9-0.4112E405 C409E405-R407 PolarHBondContact O-N 3.17Å; R407-C409 PolarHBondContact O-N 3.14Å
408N39.1Very low45.3Very low77 Ų7793.9 Ų93.941%0.41247%0.465SS..  trans-69.690.4-170-1682.6000110.2F406 N413F406-N408 PolarHBondContact O-N 2.85Å; N408-N413 PolarHBondContact ND2-OD1 3.19Å; N408-N413 PolarHBondContact OD1-N 3.4Å; N408-N413 PolarHBondContact OD1-OD1 2.88Å
409C45.3Very low45.1Very low68 Ų6890 Ų9046%0.45945%0.445SS..  trans-67.9150.2169.7600000109.2R407 R411 M412 N413R407-C409 PolarHBondContact O-N 3.14Å; C409-R411 PolarHBondContact O-N 3.22Å; C409-M412 PolarHBondContact O-N 2.9Å; C409-N413 PolarHBondContact O-N 3.49Å
410D46.5Very low45.1Very low133 Ų13390.6 Ų90.671%0.71145%0.449SS*.Hα-helixtrans-44.2-27.2176.2-83.6-28000114.1K414D410-K414 WeakPolarHBondContact O-CG 3.45Å; D410-K414 PolarHBondContact O-N 3.47Å
411R41.1Very low45.1Very low109 Ų10995.9 Ų95.941%0.41147%0.474SS..Hα-helixtrans-71.2-33.5179.2-158.1173.1-167130.623.9113.7F352 C409 K414 V415F352-R411 VanDerWaalsContact CE1-NE 3.33Å; F352-R411 VanDerWaalsContact CG-NH2 3.33Å; C409-R411 PolarHBondContact O-N 3.22Å; R411-K414 WeakPolarHBondContact O-CB 3.38Å; R411-K414 PolarHBondContact O-N 3.34Å; R411-V415 PolarHBondContact O-N 3.01Å
412M43.2Very low44.8Very low81 Ų8197.9 Ų97.940%0.39949%0.486SS..Hα-helixtrans-80.2-34.7175.7-70.4-57.8103.300111.7C409 K414 V415 K416C409-M412 PolarHBondContact O-N 2.9Å; M412-K414 PolarHBondContact O-N 2.99Å; M412-V415 HydrophobicContact CE-CG2 3.82Å; M412-V415 PolarHBondContact O-N 3.22Å; M412-V415 HydrophobicContact SD-CB 4.48Å; M412-V415 HydrophobicContact SD-CG2 4.37Å; M412-K416 PolarHBondContact O-N 3.13Å
413N50.5Low44.3Very low64 Ų64101.9 Ų101.934%0.34250%0.499SS..Hα-helixtrans-53.6-38.9164.2-82.1-24.4000111.3N408 C409 K416 N417N408-N413 PolarHBondContact ND2-OD1 3.19Å; N408-N413 PolarHBondContact OD1-N 3.4Å; N408-N413 PolarHBondContact OD1-OD1 2.88Å; C409-N413 PolarHBondContact O-N 3.49Å; N413-K416 PolarHBondContact O-N 3.08Å; N413-N417 WeakPolarHBondContact O-CB 3.43Å; N413-N417 PolarHBondContact O-N 3.46Å; N413-N417 PolarHBondContact O-ND2 3.22Å; N413-N417 PolarHBondContact O-OD1 3.27Å
414K48.1Very low44Very low121 Ų12199.3 Ų99.353%0.52648%0.48SS..Hα-helixtrans-64.2-46172.9-70.4172.7-176.5178.90112.5D410 R411 M412 N417 Y418D410-K414 WeakPolarHBondContact O-CG 3.45Å; D410-K414 PolarHBondContact O-N 3.47Å; R411-K414 WeakPolarHBondContact O-CB 3.38Å; R411-K414 PolarHBondContact O-N 3.34Å; M412-K414 PolarHBondContact O-N 2.99Å; K414-N417 PolarHBondContact O-N 3.45Å; K414-Y418 WeakPolarHBondContact O-CD2 3.45Å; K414-Y418 PolarHBondContact O-N 3.02Å
415V43.7Very low43.9Very low45 Ų4599.3 Ų99.327%0.27348%0.476SS..Hα-helixtrans-60.7-44.9177.3173.10000110.9R411 M412 N417 Y418 L419R411-V415 PolarHBondContact O-N 3.01Å; M412-V415 HydrophobicContact CE-CG2 3.82Å; M412-V415 PolarHBondContact O-N 3.22Å; M412-V415 HydrophobicContact SD-CB 4.48Å; M412-V415 HydrophobicContact SD-CG2 4.37Å; V415-N417 PolarHBondContact O-N 2.96Å; V415-Y418 PolarHBondContact O-N 3.12Å; V415-L419 HydrophobicContact CG1-CD1 3.48Å; V415-L419 VanDerWaalsContact CG1-CD1 3.48Å; V415-L419 HydrophobicContact CG1-CG 4.4Å; V415-L419 WeakPolarHBondContact O-CB 3.4Å; V415-L419 WeakPolarHBondContact O-CD1 3.29Å; V415-L419 VanDerWaalsContact O-CG 3.27Å; V415-L419 WeakPolarHBondContact O-CG 3.44Å; V415-L419 PolarHBondContact O-N 3.45Å
416K47.2Very low44.1Very low29 Ų2999.3 Ų99.313%0.12648%0.476CS..Hα-helixtrans-56.5-48171.4-72.7-171.3-176.4-163.50111.5H399 I400 D402 M412 N413 Y418 L419 I420H399-K416 WeakPolarHBondContact O-CE 3.21Å; I400-K416 WeakPolarHBondContact O-CE 3.49Å; I400-K416 PolarHBondContact O-NZ 3.12Å; D402-K416 PolarHBondContact O-NZ 3.49Å; M412-K416 PolarHBondContact O-N 3.13Å; N413-K416 PolarHBondContact O-N 3.08Å; K416-Y418 VanDerWaalsContact C-N 3.3Å; K416-Y418 PolarHBondContact O-N 3.01Å; K416-L419 PolarHBondContact O-N 3.33Å; K416-I420 HydrophobicContact CB-CD1 4Å; K416-I420 WeakPolarHBondContact O-CB 3.43Å; K416-I420 WeakPolarHBondContact O-CD1 3.25Å; K416-I420 WeakPolarHBondContact O-CG1 3.41Å; K416-I420 PolarHBondContact O-N 3.03Å
417N52Low44.1Very low97 Ų9798 Ų9852%0.51948%0.475SS..Hα-helixtrans-60.8-36.1177.7-69.9-8.4000112.7N413 K414 V415 H421N413-N417 WeakPolarHBondContact O-CB 3.43Å; N413-N417 PolarHBondContact O-N 3.46Å; N413-N417 PolarHBondContact O-ND2 3.22Å; N413-N417 PolarHBondContact O-OD1 3.27Å; K414-N417 PolarHBondContact O-N 3.45Å; V415-N417 PolarHBondContact O-N 2.96Å; N417-H421 WeakPolarHBondContact O-CB 3.38Å; N417-H421 PolarHBondContact O-CD2 3.44Å; N417-H421 VanDerWaalsContact O-CD2 3.3Å; N417-H421 PolarHBondContact O-N 3.36Å
418Y46.3Very low43.9Very low146 Ų14690 Ų9057%0.57345%0.45SS*.Hα-helixtrans-70.3-34.4173.7-81.2-71.8000112.9K414 V415 K416K414-Y418 WeakPolarHBondContact O-CD2 3.45Å; K414-Y418 PolarHBondContact O-N 3.02Å; V415-Y418 PolarHBondContact O-N 3.12Å; K416-Y418 VanDerWaalsContact C-N 3.3Å; K416-Y418 PolarHBondContact O-N 3.01Å
419L45.6Very low43.7Very low9 Ų991.8 Ų91.85%0.04745%0.454CS..Hα-helixtrans-77.7-32.7-179.8-71.4160000112.5I400 V415 K416 L432 G433 L436I400-L419 HydrophobicContact CD1-CB 3.8Å; I400-L419 HydrophobicContact CD1-CD1 3.58Å; I400-L419 HydrophobicContact CD1-CD2 4.02Å; I400-L419 HydrophobicContact CD1-CG 4Å; I400-L419 HydrophobicContact CG1-CB 4.15Å; I400-L419 HydrophobicContact CG1-CD1 3.38Å; I400-L419 HydrophobicContact CG1-CG 4.26Å; V415-L419 HydrophobicContact CG1-CD1 3.48Å; V415-L419 VanDerWaalsContact CG1-CD1 3.48Å; V415-L419 HydrophobicContact CG1-CG 4.4Å; V415-L419 WeakPolarHBondContact O-CB 3.4Å; V415-L419 WeakPolarHBondContact O-CD1 3.29Å; V415-L419 VanDerWaalsContact O-CG 3.27Å; V415-L419 WeakPolarHBondContact O-CG 3.44Å; V415-L419 PolarHBondContact O-N 3.45Å; K416-L419 PolarHBondContact O-N 3.33Å; L419-L432 HydrophobicContact CD2-CB 3.72Å; L419-L432 HydrophobicContact CD2-CD2 3.61Å; L419-L432 HydrophobicContact CD2-CG 3.51Å; L419-L432 HydrophobicContact CG-CD2 4.41Å; L419-G433 PolarHBondContact O-N 3.49Å; L419-L436 HydrophobicContact CD2-CD1 3.6Å
420I48.1Very low43.5Very low69 Ų6991.2 Ų91.235%0.35445%0.447SS..Hα-helixtrans-94.1-9.2-176.8-56.8163.1000111.7K416 P422 Y467K416-I420 HydrophobicContact CB-CD1 4Å; K416-I420 WeakPolarHBondContact O-CB 3.43Å; K416-I420 WeakPolarHBondContact O-CD1 3.25Å; K416-I420 WeakPolarHBondContact O-CG1 3.41Å; K416-I420 PolarHBondContact O-N 3.03Å; I420-P422 VanDerWaalsContact O-CD 3.28Å; I420-P422 WeakPolarHBondContact O-CD 3.48Å; I420-Y467 HydrophobicContact CD1-CE1 4.33Å; I420-Y467 HydrophobicContact CG1-CE1 4.1Å
421H46.9Very low43.6Very low120 Ų12085.4 Ų85.456%0.55642%0.417SS*.  trans-54.6116.3-175.6-125.7-55.7000109.9N417 Y423 C431N417-H421 WeakPolarHBondContact O-CB 3.38Å; N417-H421 PolarHBondContact O-CD2 3.44Å; N417-H421 VanDerWaalsContact O-CD2 3.3Å; N417-H421 PolarHBondContact O-N 3.36Å; H421-Y423 PolarHBondContact O-N 3.35Å; H421-C431 WeakPolarHBondContact O-CB 3.26Å
422P43.6Very low44Very low80 Ų8081.6 Ų81.652%0.51940%0.404SS..  trans-61.7141.4-177.121.5-30.8000109.1I420 N424I420-P422 VanDerWaalsContact O-CD 3.28Å; I420-P422 WeakPolarHBondContact O-CD 3.48Å; P422-N424 PolarHBondContact O-N 3.04Å
423Y35.7Very low44.3Very low117 Ų11778 Ų7846%0.45939%0.389SS..  trans-47.7109.3175.7-166.5-92.4000109.1H421 D430H421-Y423 PolarHBondContact O-N 3.35Å; Y423-D430 WeakPolarHBondContact CE2-OD1 3.45Å
424N40.9Very low44.3Very low76 Ų7677.2 Ų77.241%0.40638%0.382SS..BIsolated β-bridgetrans-103.6120.7176.3-174.1-15000106.9P422 H426 N427P422-N424 PolarHBondContact O-N 3.04Å; N424-H426 PolarHBondContact O-N 3.29Å; N424-H426 PolarHBondContact OD1-N 3.45Å; N424-H426 VanDerWaalsContact OD1-N 3.14Å; N424-N427 CarbonylContact O-C 3.1Å; N424-N427 PolarHBondContact O-N 2.84Å
425T41.8Very low44.4Very low104 Ų10472.5 Ų72.564%0.63836%0.364SS*.THydrogen-bonded Turntrans-55.4-19.317945.50000113.6
426H42.9Very low44.8Very low165 Ų16570.4 Ų70.476%0.76435%0.351SS*.THydrogen-bonded Turntrans-84.2-25.3174.4-67.9-45.2000114.5N424N424-H426 PolarHBondContact O-N 3.29Å; N424-H426 PolarHBondContact OD1-N 3.45Å; N424-H426 VanDerWaalsContact OD1-N 3.14Å
427N37.1Very low45.2Very low104 Ų10470 Ų7056%0.55635%0.351SS*.BIsolated β-bridgetrans-121.981.7177.1-77.7-9000106.4N424 F429N424-N427 CarbonylContact O-C 3.1Å; N424-N427 PolarHBondContact O-N 2.84Å; N427-F429 HydrophobicContact CB-CD2 4.26Å; N427-F429 PolarHBondContact O-N 3.37Å
428N37.3Very low45.2Very low75 Ų7570.8 Ų70.840%0.40135%0.351SS..  trans-55.119.8-179.7-85.2-17.7000116Q289 D430Q289-N428 PolarHBondContact NE2-ND2 3Å; N428-D430 PolarHBondContact O-N 3.2Å
429F34.4Very low45.6Very low115 Ų11564.6 Ų64.650%0.50433%0.326SS..  trans-68.6109.1163.3-64.8-75.5000108.5I291 N427 C431I291-F429 HydrophobicContact CD1-CE1 4.38Å; I291-F429 HydrophobicContact CD1-CZ 4.49Å; I291-F429 HydrophobicContact CG1-CZ 4.23Å; N427-F429 HydrophobicContact CB-CD2 4.26Å; N427-F429 PolarHBondContact O-N 3.37Å; F429-C431 PolarHBondContact O-N 3.26Å
430D40.6Very low46.1Very low57 Ų5764.2 Ų64.231%0.30533%0.325SS..  trans-45.1128.1153.5-96.5-10.8000106.4Y423 N428 L432 V435 K438Y423-D430 WeakPolarHBondContact CE2-OD1 3.45Å; N428-D430 PolarHBondContact O-N 3.2Å; D430-L432 PolarHBondContact O-N 2.87Å; D430-L432 VanDerWaalsContact O-N 3.14Å; D430-V435 HydrophobicContact CB-CG2 3.53Å; D430-K438 IonicContact OD2-NZ 3.56Å; D430-K438 PolarHBondContact OD2-NZ 3.39Å
431C49.4Very low46.5Very low11 Ų1163.1 Ų63.17%0.07432%0.323CS..  trans-53.7131.6178.478.90000107.3H421 F429 G433 H434 V435H421-C431 WeakPolarHBondContact O-CB 3.26Å; F429-C431 PolarHBondContact O-N 3.26Å; C431-G433 CarbonylContact O-C 3.04Å; C431-G433 PolarHBondContact O-N 3.06Å; C431-H434 WeakPolarHBondContact O-CA 3.48Å; C431-H434 WeakPolarHBondContact O-CB 3.49Å; C431-H434 PolarHBondContact O-N 3.39Å; C431-H434 VanDerWaalsContact SG-CB 3.53Å; C431-H434 VanDerWaalsContact SG-CD2 3.52Å; C431-H434 PolarHBondContact SG-N 2.99Å; C431-H434 PolarHBondContact SG-ND1 3.3Å; C431-V435 PolarHBondContact O-N 3.21Å; C431-V435 VanDerWaalsContact O-N 3.13Å
432L48.1Very low46.8Very low28 Ų2858.4 Ų58.415%0.14730%0.302CS..Hα-helixtrans-56.5-28.4-173.8176.467.3000110.3V360 I364 L419 D430 V435 L436V360-L432 HydrophobicContact CG1-CD1 4.31Å; V360-L432 HydrophobicContact CG1-CD2 4.09Å; V360-L432 HydrophobicContact CG2-CD2 3.99Å; I364-L432 HydrophobicContact CG1-CD1 4.2Å; L419-L432 HydrophobicContact CD2-CB 3.72Å; L419-L432 HydrophobicContact CD2-CD2 3.61Å; L419-L432 HydrophobicContact CD2-CG 3.51Å; L419-L432 HydrophobicContact CG-CD2 4.41Å; D430-L432 PolarHBondContact O-N 2.87Å; D430-L432 VanDerWaalsContact O-N 3.14Å; L432-V435 PolarHBondContact O-N 3.16Å; L432-L436 HydrophobicContact CD1-CG 4.39Å; L432-L436 HydrophobicContact CG-CD1 4.19Å; L432-L436 HydrophobicContact CG-CG 4.36Å; L432-L436 WeakPolarHBondContact O-CB 3.39Å; L432-L436 WeakPolarHBondContact O-CG 3.31Å; L432-L436 PolarHBondContact O-N 3.45Å
433G50.1Low47.3Very low7 Ų754.6 Ų54.67%0.07228%0.277CS..Hα-helixtrans-51.8-55.8166.700000112.8L419 C431 V435 L436 C437L419-G433 PolarHBondContact O-N 3.49Å; C431-G433 CarbonylContact O-C 3.04Å; C431-G433 PolarHBondContact O-N 3.06Å; G433-V435 VanDerWaalsContact C-N 3.34Å; G433-V435 PolarHBondContact O-N 2.99Å; G433-L436 CarbonylContact O-C 3.54Å; G433-L436 WeakPolarHBondContact O-CB 3.35Å; G433-L436 PolarHBondContact O-N 3.13Å; G433-C437 WeakPolarHBondContact O-CB 3.43Å; G433-C437 PolarHBondContact O-N 2.92Å; G433-C437 PolarHBondContact O-SG 3.46Å
434H51Low48.4Very low46 Ų4653 Ų5321%0.21327%0.271CS..Hα-helixtrans-59.7-40.3177.5-75166.9000113.6C431 C437 K438 D471C431-H434 WeakPolarHBondContact O-CA 3.48Å; C431-H434 WeakPolarHBondContact O-CB 3.49Å; C431-H434 PolarHBondContact O-N 3.39Å; C431-H434 VanDerWaalsContact SG-CB 3.53Å; C431-H434 VanDerWaalsContact SG-CD2 3.52Å; C431-H434 PolarHBondContact SG-N 2.99Å; C431-H434 PolarHBondContact SG-ND1 3.3Å; H434-C437 WeakPolarHBondContact O-CB 3.46Å; H434-C437 PolarHBondContact O-N 3.21Å; H434-K438 WeakPolarHBondContact O-CG 3.4Å; H434-K438 PolarHBondContact O-N 3.23Å; H434-D471 IonicContact CE1-OD2 3.58Å; H434-D471 PolarHBondContact CE1-OD2 2.96Å; H434-D471 IonicContact NE2-OD2 3.05Å; H434-D471 PolarHBondContact NE2-OD2 3.37Å
435V49.6Very low49.1Very low23 Ų2353.4 Ų53.414%0.13927%0.273CS..Hα-helixtrans-59.9-50.1175.41750000109.9D430 C431 L432 G433 C437 K438 F439D430-V435 HydrophobicContact CB-CG2 3.53Å; C431-V435 PolarHBondContact O-N 3.21Å; C431-V435 VanDerWaalsContact O-N 3.13Å; L432-V435 PolarHBondContact O-N 3.16Å; G433-V435 VanDerWaalsContact C-N 3.34Å; G433-V435 PolarHBondContact O-N 2.99Å; V435-C437 VanDerWaalsContact C-N 3.29Å; V435-C437 PolarHBondContact O-N 3.1Å; V435-K438 PolarHBondContact O-N 3.01Å; V435-F439 HydrophobicContact CB-CE2 4.48Å; V435-F439 HydrophobicContact CG1-CD2 3.75Å; V435-F439 HydrophobicContact CG1-CE2 3.12Å; V435-F439 HydrophobicContact CG1-CZ 3.61Å; V435-F439 VanDerWaalsContact O-CD2 3.25Å; V435-F439 WeakPolarHBondContact O-CD2 3.49Å; V435-F439 VanDerWaalsContact O-CG 3.29Å; V435-F439 WeakPolarHBondContact O-CG 3.38Å; V435-F439 PolarHBondContact O-N 3.49Å
436L53Low49.6Very low0 Ų049.3 Ų49.30%025%0.248CC..Hα-helixtrans-62-34.9175.5-65.4171.5000112.5V363 T393 L396 L419 L432 G433 F439 S440V363-L436 HydrophobicContact CG1-CD2 3.61Å; T393-L436 HydrophobicContact CG2-CB 4.33Å; T393-L436 HydrophobicContact CG2-CD2 3.73Å; L396-L436 HydrophobicContact CB-CD1 3.82Å; L396-L436 HydrophobicContact CD1-CD1 3.9Å; L396-L436 HydrophobicContact CD1-CD2 3.68Å; L396-L436 HydrophobicContact CD1-CG 4.47Å; L419-L436 HydrophobicContact CD2-CD1 3.6Å; L432-L436 HydrophobicContact CD1-CG 4.39Å; L432-L436 HydrophobicContact CG-CD1 4.19Å; L432-L436 HydrophobicContact CG-CG 4.36Å; L432-L436 WeakPolarHBondContact O-CB 3.39Å; L432-L436 WeakPolarHBondContact O-CG 3.31Å; L432-L436 PolarHBondContact O-N 3.45Å; G433-L436 CarbonylContact O-C 3.54Å; G433-L436 WeakPolarHBondContact O-CB 3.35Å; G433-L436 PolarHBondContact O-N 3.13Å; L436-F439 PolarHBondContact O-N 2.79Å; L436-S440 PolarHBondContact O-N 3.46Å; L436-S440 PolarHBondContact O-OG 2.96Å
437C54.8Low50.2Low20 Ų2041.6 Ų41.614%0.13521%0.212CC..Hα-helixtrans-64.9-48.9175.9-65.20000111.5G433 H434 V435 F439 S440 S441 I464G433-C437 WeakPolarHBondContact O-CB 3.43Å; G433-C437 PolarHBondContact O-N 2.92Å; G433-C437 PolarHBondContact O-SG 3.46Å; H434-C437 WeakPolarHBondContact O-CB 3.46Å; H434-C437 PolarHBondContact O-N 3.21Å; V435-C437 VanDerWaalsContact C-N 3.29Å; V435-C437 PolarHBondContact O-N 3.1Å; C437-F439 VanDerWaalsContact C-N 3.26Å; C437-F439 PolarHBondContact O-N 3.48Å; C437-S440 PolarHBondContact O-N 3.26Å; C437-S441 PolarHBondContact O-N 2.84Å; C437-I464 HydrophobicContact CB-CD1 4.2Å; C437-I464 HydrophobicContact CB-CG1 4.22Å; C437-I464 HydrophobicContact CB-CG2 3.68Å; C437-I464 VanDerWaalsContact SG-CG1 3.52Å; C437-I464 WeakPolarHBondContact SG-CG2 3.43Å
438K51.8Low51.2Low115 Ų11538.9 Ų38.950%0.520%0.202SC..Hα-helixtrans-56.6-44.9175.1-75.2175.4-177.4171.20109.4D430 H434 V435 S441 I442D430-K438 IonicContact OD2-NZ 3.56Å; D430-K438 PolarHBondContact OD2-NZ 3.39Å; H434-K438 WeakPolarHBondContact O-CG 3.4Å; H434-K438 PolarHBondContact O-N 3.23Å; V435-K438 PolarHBondContact O-N 3.01Å; K438-S441 WeakPolarHBondContact O-CB 3.4Å; K438-S441 PolarHBondContact O-N 3.16Å; K438-I442 VanDerWaalsContact O-CB 3.31Å; K438-I442 WeakPolarHBondContact O-CB 3.25Å; K438-I442 WeakPolarHBondContact O-CD1 3.41Å; K438-I442 WeakPolarHBondContact O-CG1 3.26Å; K438-I442 PolarHBondContact O-N 3.42Å
439F54.5Low51.9Low15 Ų1540.2 Ų40.27%0.06621%0.214CC..Hα-helixtrans-64.5-44.1176.8-67.4-32.3000113.9G367 V389 T393 V435 L436 C437 S441 I442 A443G367-F439 VanDerWaalsContact O-CE1 3.25Å; G367-F439 WeakPolarHBondContact O-CE1 3.42Å; V389-F439 HydrophobicContact CG1-CB 3.69Å; V389-F439 HydrophobicContact CG1-CG 4.31Å; T393-F439 HydrophobicContact CG2-CB 3.65Å; V435-F439 HydrophobicContact CB-CE2 4.48Å; V435-F439 HydrophobicContact CG1-CD2 3.75Å; V435-F439 HydrophobicContact CG1-CE2 3.12Å; V435-F439 HydrophobicContact CG1-CZ 3.61Å; V435-F439 VanDerWaalsContact O-CD2 3.25Å; V435-F439 WeakPolarHBondContact O-CD2 3.49Å; V435-F439 VanDerWaalsContact O-CG 3.29Å; V435-F439 WeakPolarHBondContact O-CG 3.38Å; V435-F439 PolarHBondContact O-N 3.49Å; L436-F439 PolarHBondContact O-N 2.79Å; C437-F439 VanDerWaalsContact C-N 3.26Å; C437-F439 PolarHBondContact O-N 3.48Å; F439-S441 VanDerWaalsContact C-N 3.31Å; F439-S441 PolarHBondContact O-N 2.98Å; F439-I442 HydrophobicContact CD1-CD1 4.4Å; F439-I442 WeakPolarHBondContact O-CB 3.28Å; F439-I442 PolarHBondContact O-N 2.9Å; F439-A443 WeakPolarHBondContact O-CB 3.25Å; F439-A443 PolarHBondContact O-N 3.19Å
440S57Low52.7Low1 Ų137.1 Ų37.11%0.00720%0.202CC..Hα-helixtrans-60.3-40.9174-69.10000112.3T393 L397 L436 C437 A443 Y444T393-S440 WeakPolarHBondContact CB-OG 3.31Å; T393-S440 PolarHBondContact OG1-OG 3.18Å; L397-S440 VanDerWaalsContact CD1-OG 3.31Å; L397-S440 WeakPolarHBondContact CD1-OG 3.38Å; L436-S440 PolarHBondContact O-N 3.46Å; L436-S440 PolarHBondContact O-OG 2.96Å; C437-S440 PolarHBondContact O-N 3.26Å; S440-A443 PolarHBondContact O-N 2.95Å; S440-Y444 WeakPolarHBondContact O-CB 3.48Å; S440-Y444 PolarHBondContact O-N 3.36Å
441S57.1Low53.1Low47 Ų4735.4 Ų35.433%0.32920%0.196SC..Hα-helixtrans-63.3-47176.5-131.50000111.1C437 K438 F439 Y444 D445 M461C437-S441 PolarHBondContact O-N 2.84Å; K438-S441 WeakPolarHBondContact O-CB 3.4Å; K438-S441 PolarHBondContact O-N 3.16Å; F439-S441 VanDerWaalsContact C-N 3.31Å; F439-S441 PolarHBondContact O-N 2.98Å; S441-Y444 WeakPolarHBondContact O-CB 3.26Å; S441-Y444 PolarHBondContact O-N 3.3Å; S441-D445 WeakPolarHBondContact O-CB 3.38Å; S441-D445 VanDerWaalsContact O-CG 3.25Å; S441-D445 PolarHBondContact O-N 3.15Å; S441-M461 VanDerWaalsContact CA-CE 3.44Å; S441-M461 VanDerWaalsContact CB-CE 3.41Å; S441-M461 WeakPolarHBondContact OG-CE 3.42Å
442I52.2Low53Low20 Ų2040.5 Ų40.510%0.10323%0.229CC..Hα-helixtrans-58.4-49.9176-79.6165.8000110.5F371 R374 K438 F439 Y444 D445 V446F371-I442 HydrophobicContact CD2-CD1 4.3Å; R374-I442 HydrophobicContact CG-CG2 4.43Å; R374-I442 PolarHBondContact NH2-O 3.25Å; K438-I442 VanDerWaalsContact O-CB 3.31Å; K438-I442 WeakPolarHBondContact O-CB 3.25Å; K438-I442 WeakPolarHBondContact O-CD1 3.41Å; K438-I442 WeakPolarHBondContact O-CG1 3.26Å; K438-I442 PolarHBondContact O-N 3.42Å; F439-I442 HydrophobicContact CD1-CD1 4.4Å; F439-I442 WeakPolarHBondContact O-CB 3.28Å; F439-I442 PolarHBondContact O-N 2.9Å; I442-Y444 VanDerWaalsContact C-N 3.33Å; I442-Y444 PolarHBondContact O-N 3.4Å; I442-D445 PolarHBondContact O-N 3.3Å; I442-V446 WeakPolarHBondContact O-CG2 3.41Å; I442-V446 PolarHBondContact O-N 3.31Å
443A54Low52.6Low0 Ų046 Ų460%025%0.249CC..Hα-helixtrans-62.5-43179.100000111.1G386 Y390 F439 S440 D445 V446 L447G386-A443 WeakPolarHBondContact O-CB 3.29Å; Y390-A443 HydrophobicContact CD2-CB 4.47Å; F439-A443 WeakPolarHBondContact O-CB 3.25Å; F439-A443 PolarHBondContact O-N 3.19Å; S440-A443 PolarHBondContact O-N 2.95Å; A443-D445 PolarHBondContact O-N 2.85Å; A443-V446 PolarHBondContact O-N 3.05Å; A443-L447 VanDerWaalsContact O-CB 3.31Å; A443-L447 WeakPolarHBondContact O-CB 3.41Å; A443-L447 WeakPolarHBondContact O-CG 3.14Å; A443-L447 PolarHBondContact O-N 3.06Å
444Y57.8Low52.5Low84 Ų8450 Ų5033%0.32927%0.266SS..Hα-helixtrans-57.2-47.6173.6176-91.2000112.4S440 S441 I442 V446 L447 S448 W457S440-Y444 WeakPolarHBondContact O-CB 3.48Å; S440-Y444 PolarHBondContact O-N 3.36Å; S441-Y444 WeakPolarHBondContact O-CB 3.26Å; S441-Y444 PolarHBondContact O-N 3.3Å; I442-Y444 VanDerWaalsContact C-N 3.33Å; I442-Y444 PolarHBondContact O-N 3.4Å; Y444-V446 VanDerWaalsContact C-N 3.27Å; Y444-V446 PolarHBondContact O-N 2.96Å; Y444-L447 PolarHBondContact O-N 3.37Å; Y444-S448 WeakPolarHBondContact O-CA 3.27Å; Y444-S448 WeakPolarHBondContact O-CB 3.12Å; Y444-S448 PolarHBondContact O-N 2.94Å; Y444-S448 PolarHBondContact O-OG 2.95Å; Y444-W457 HydrophobicContact CD2-CB 3.94Å; Y444-W457 AromaticContact CD2-CD2 3.96Å; Y444-W457 HydrophobicContact CD2-CD2 3.96Å; Y444-W457 AromaticContact CD2-CE3 3.57Å; Y444-W457 HydrophobicContact CD2-CE3 3.57Å; Y444-W457 HydrophobicContact CD2-CG 4.19Å; Y444-W457 HydrophobicContact CD2-CZ3 4.29Å; Y444-W457 HydrophobicContact CE2-CB 4.19Å; Y444-W457 HydrophobicContact CE2-CD2 4.24Å; Y444-W457 AromaticContact CE2-CE3 3.47Å; Y444-W457 HydrophobicContact CE2-CE3 3.47Å; Y444-W457 VanDerWaalsContact CE2-CE3 3.47Å; Y444-W457 HydrophobicContact CE2-CZ3 4.15Å
445D57.1Low52.3Low84 Ų8451.8 Ų51.845%0.44928%0.281SS..Hα-helixtrans-63.2-32.8178.6-72.2-13.3000112.2R374 S441 I442 A443 P449R374-D445 IonicContact NH2-OD2 3.77Å; S441-D445 WeakPolarHBondContact O-CB 3.38Å; S441-D445 VanDerWaalsContact O-CG 3.25Å; S441-D445 PolarHBondContact O-N 3.15Å; I442-D445 PolarHBondContact O-N 3.3Å; A443-D445 PolarHBondContact O-N 2.85Å; D445-P449 VanDerWaalsContact O-CD 3.26Å; D445-P449 WeakPolarHBondContact O-CD 3.34Å
446V52.4Low52.2Low18 Ų1854.8 Ų54.811%0.10930%0.297CS..Hα-helixtrans-73.8-40.4174.4173.50000111.4R374 R382 I442 A443 Y444 P449R374-V446 HydrophobicContact CG-CG2 4.48Å; R382-V446 HydrophobicContact CB-CG1 4.05Å; I442-V446 WeakPolarHBondContact O-CG2 3.41Å; I442-V446 PolarHBondContact O-N 3.31Å; A443-V446 PolarHBondContact O-N 3.05Å; Y444-V446 VanDerWaalsContact C-N 3.27Å; Y444-V446 PolarHBondContact O-N 2.96Å; V446-P449 WeakPolarHBondContact O-CD 3.47Å
447L55.1Low52Low4 Ų455.7 Ų55.72%0.02130%0.3CS..Hα-helixtrans-85.5-31.8-172-64.1177.4000113.1L383 R387 Y390 A443 Y444 P449 L450 A451 W457L383-L447 HydrophobicContact CD1-CD2 3.44Å; L383-L447 VanDerWaalsContact CD1-CD2 3.44Å; L383-L447 HydrophobicContact CG-CD2 4.07Å; R387-L447 HydrophobicContact CG-CD1 4.08Å; R387-L447 HydrophobicContact CG-CD2 3.64Å; Y390-L447 HydrophobicContact CG-CD1 4.44Å; A443-L447 VanDerWaalsContact O-CB 3.31Å; A443-L447 WeakPolarHBondContact O-CB 3.41Å; A443-L447 WeakPolarHBondContact O-CG 3.14Å; A443-L447 PolarHBondContact O-N 3.06Å; Y444-L447 PolarHBondContact O-N 3.37Å; L447-P449 VanDerWaalsContact C-CD 3.45Å; L447-L450 CarbonylContact O-C 3.58Å; L447-L450 PolarHBondContact O-N 3.15Å; L447-A451 PolarHBondContact O-N 3.24Å; L447-W457 HydrophobicContact CB-CH2 3.82Å; L447-W457 HydrophobicContact CB-CZ2 3.72Å; L447-W457 HydrophobicContact CD1-CZ2 4.23Å
448S58.5Low51.6Low47 Ų4760.4 Ų60.433%0.32932%0.32SS..THydrogen-bonded Turntrans-60.8-33-174.560.10000114.7Y444 L450Y444-S448 WeakPolarHBondContact O-CA 3.27Å; Y444-S448 WeakPolarHBondContact O-CB 3.12Å; Y444-S448 PolarHBondContact O-N 2.94Å; Y444-S448 PolarHBondContact O-OG 2.95Å; S448-L450 VanDerWaalsContact C-N 3.27Å; S448-L450 PolarHBondContact O-N 2.96Å
449P52.3Low51.5Low102 Ų10261.1 Ų61.166%0.66232%0.323SS*.THydrogen-bonded Turntrans-74.4-18.5172.7-1632.9000113.1D445 V446 L447D445-P449 VanDerWaalsContact O-CD 3.26Å; D445-P449 WeakPolarHBondContact O-CD 3.34Å; V446-P449 WeakPolarHBondContact O-CD 3.47Å; L447-P449 VanDerWaalsContact C-CD 3.45Å
450L51.1Low51.2Low50 Ų5060.6 Ų60.626%0.26232%0.323SS..THydrogen-bonded Turntrans-112.6-21.2-165.5-61.6175.7000113.9C145 L379 L383 L447 S448C145-L450 HydrophobicContact CB-CD2 4.45Å; L379-L450 HydrophobicContact CD2-CD1 3.87Å; L379-L450 HydrophobicContact CD2-CD2 4.18Å; L379-L450 HydrophobicContact CG-CD1 4.25Å; L383-L450 HydrophobicContact CD1-CB 3.66Å; L383-L450 HydrophobicContact CD1-CD1 3.43Å; L383-L450 VanDerWaalsContact CD1-CD1 3.43Å; L383-L450 HydrophobicContact CD1-CG 4.18Å; L447-L450 CarbonylContact O-C 3.58Å; L447-L450 PolarHBondContact O-N 3.15Å; S448-L450 VanDerWaalsContact C-N 3.27Å; S448-L450 PolarHBondContact O-N 2.96Å
451A47.8Very low50.8Low21 Ų2162.6 Ų62.617%0.17433%0.332CS..SBendtrans-130.2139178.800000110.4L447 W457L447-A451 PolarHBondContact O-N 3.24Å; A451-W457 HydrophobicContact CB-CH2 3.91Å; A451-W457 HydrophobicContact CB-CZ2 4.17Å
452P47.4Very low50.5Low119 Ų11963.5 Ų63.577%0.77334%0.339SS*.  trans-58.2143.5171.423.8-31.1000110.3H454P452-H454 PolarHBondContact O-N 2.8Å
453Y40.2Very low50.4Low142 Ų14264 Ų6456%0.55734%0.341SS*.  trans-29.1119.9174.4-179.4-93000114P455 Q458Y453-P455 HydrophobicContact CE1-CG 4.36Å; Y453-Q458 PolarHBondContact OH-OE1 2.84Å
454H47.1Very low50.1Low91 Ų9164.5 Ų64.542%0.42134%0.344SS..  trans-107.5124.8171.3-144.7-87.2000110.1P452 D456 W457P452-H454 PolarHBondContact O-N 2.8Å; H454-D456 IonicContact CE1-OD2 2.97Å; H454-D456 PolarHBondContact CE1-OD2 3.36Å; H454-D456 IonicContact ND1-OD2 3.35Å; H454-D456 PolarHBondContact ND1-OD2 2.6Å; H454-D456 PolarHBondContact O-N 3.12Å; H454-W457 HydrophobicContact CB-CD2 3.79Å; H454-W457 HydrophobicContact CB-CE3 4.48Å; H454-W457 HydrophobicContact CB-CG 3.8Å; H454-W457 HydrophobicContact CB-CZ2 4.37Å; H454-W457 WeakPolarHBondContact O-CB 3.45Å; H454-W457 VanDerWaalsContact O-CG 3.32Å; H454-W457 PolarHBondContact O-N 3.25Å
455P47.1Very low49.7Very low84 Ų8467.3 Ų67.355%0.54536%0.362SS..Hα-helixtrans-58.3-31.8-178.8-23.932.2000113.9Y453 W457 Q458 K459Y453-P455 HydrophobicContact CE1-CG 4.36Å; P455-W457 PolarHBondContact O-N 3.15Å; P455-Q458 PolarHBondContact O-N 3.47Å; P455-Q458 VanDerWaalsContact O-N 3.14Å; P455-K459 PolarHBondContact O-N 3.39Å
456D48.3Very low49.5Very low86 Ų8670 Ų7046%0.4637%0.367SS..Hα-helixtrans-58.9-31.2176-61.5-37.7000111.7Y390 H454 Q458 K459 G460Y390-D456 PolarHBondContact OH-O 2.61Å; H454-D456 IonicContact CE1-OD2 2.97Å; H454-D456 PolarHBondContact CE1-OD2 3.36Å; H454-D456 IonicContact ND1-OD2 3.35Å; H454-D456 PolarHBondContact ND1-OD2 2.6Å; H454-D456 PolarHBondContact O-N 3.12Å; D456-Q458 VanDerWaalsContact C-N 3.28Å; D456-Q458 PolarHBondContact O-N 3.28Å; D456-K459 PolarHBondContact O-N 3.18Å; D456-K459 VanDerWaalsContact O-N 3.14Å; D456-G460 PolarHBondContact O-N 3.33Å; D456-G460 VanDerWaalsContact O-N 3.1Å
457W47.6Very low49.1Very low20 Ų2072.1 Ų72.18%0.07637%0.373CS..Hα-helixtrans-56.2-44.2177.5-64.4-1.8000111.2Y390 Y444 L447 A451 H454 P455 M461Y390-W457 AromaticContact CE1-CD1 3.55Å; Y390-W457 AromaticContact CE1-NE1 3.9Å; Y390-W457 HydrophobicContact CE2-CB 4.33Å; Y390-W457 AromaticContact CE2-CD1 3.59Å; Y390-W457 HydrophobicContact CE2-CG 4.15Å; Y390-W457 AromaticContact CZ-CD1 3.23Å; Y390-W457 AromaticContact CZ-NE1 3.99Å; Y390-W457 WeakPolarHBondContact OH-CA 3.28Å; Y390-W457 PolarHBondContact OH-N 2.82Å; Y444-W457 HydrophobicContact CD2-CB 3.94Å; Y444-W457 AromaticContact CD2-CD2 3.96Å; Y444-W457 HydrophobicContact CD2-CD2 3.96Å; Y444-W457 AromaticContact CD2-CE3 3.57Å; Y444-W457 HydrophobicContact CD2-CE3 3.57Å; Y444-W457 HydrophobicContact CD2-CG 4.19Å; Y444-W457 HydrophobicContact CD2-CZ3 4.29Å; Y444-W457 HydrophobicContact CE2-CB 4.19Å; Y444-W457 HydrophobicContact CE2-CD2 4.24Å; Y444-W457 AromaticContact CE2-CE3 3.47Å; Y444-W457 HydrophobicContact CE2-CE3 3.47Å; Y444-W457 VanDerWaalsContact CE2-CE3 3.47Å; Y444-W457 HydrophobicContact CE2-CZ3 4.15Å; L447-W457 HydrophobicContact CB-CH2 3.82Å; L447-W457 HydrophobicContact CB-CZ2 3.72Å; L447-W457 HydrophobicContact CD1-CZ2 4.23Å; A451-W457 HydrophobicContact CB-CH2 3.91Å; A451-W457 HydrophobicContact CB-CZ2 4.17Å; H454-W457 HydrophobicContact CB-CD2 3.79Å; H454-W457 HydrophobicContact CB-CE3 4.48Å; H454-W457 HydrophobicContact CB-CG 3.8Å; H454-W457 HydrophobicContact CB-CZ2 4.37Å; H454-W457 WeakPolarHBondContact O-CB 3.45Å; H454-W457 VanDerWaalsContact O-CG 3.32Å; H454-W457 PolarHBondContact O-N 3.25Å; P455-W457 PolarHBondContact O-N 3.15Å; W457-M461 WeakPolarHBondContact O-CB 3.23Å; W457-M461 PolarHBondContact O-N 2.71Å; W457-M461 VanDerWaalsContact O-N 3.15Å
458Q46.7Very low48.6Very low118 Ų11878.9 Ų78.955%0.55140%0.402SS*.Hα-helixtrans-77.8-31.6178.7-117.1-1714.500112.6Y453 P455 D456 G460 M461 S462Y453-Q458 PolarHBondContact OH-OE1 2.84Å; P455-Q458 PolarHBondContact O-N 3.47Å; P455-Q458 VanDerWaalsContact O-N 3.14Å; D456-Q458 VanDerWaalsContact C-N 3.28Å; D456-Q458 PolarHBondContact O-N 3.28Å; Q458-G460 VanDerWaalsContact C-N 3.33Å; Q458-G460 PolarHBondContact O-N 3.2Å; Q458-M461 CarbonylContact O-C 3.37Å; Q458-M461 PolarHBondContact O-N 3.2Å; Q458-M461 VanDerWaalsContact O-N 3.12Å; Q458-S462 VanDerWaalsContact O-CB 3.29Å; Q458-S462 WeakPolarHBondContact O-CB 3.43Å; Q458-S462 PolarHBondContact O-N 3.42Å; Q458-S462 PolarHBondContact O-OG 2.77Å
459K49.7Very low48.1Very low130 Ų13079.1 Ų79.157%0.56541%0.407SS*.Hα-helixtrans-59.8-47.6175.8-113.4-178.2-179-179.40110.5P455 D456 M461 S462 I463P455-K459 PolarHBondContact O-N 3.39Å; D456-K459 PolarHBondContact O-N 3.18Å; D456-K459 VanDerWaalsContact O-N 3.14Å; K459-M461 PolarHBondContact O-N 2.93Å; K459-S462 WeakPolarHBondContact CA-OG 3.15Å; K459-S462 PolarHBondContact O-OG 3.26Å; K459-S462 VanDerWaalsContact O-OG 3.1Å; K459-I463 WeakPolarHBondContact O-CB 3.41Å; K459-I463 VanDerWaalsContact O-CD1 3.24Å; K459-I463 WeakPolarHBondContact O-CD1 3.43Å; K459-I463 WeakPolarHBondContact O-CG1 3.44Å; K459-I463 PolarHBondContact O-N 2.81Å
460G49Very low47.8Very low5 Ų578.3 Ų78.35%0.05239%0.394CS..Hα-helixtrans-54-52.4169.100000111.4D456 Q458 S462 I463 I464D456-G460 PolarHBondContact O-N 3.33Å; D456-G460 VanDerWaalsContact O-N 3.1Å; Q458-G460 VanDerWaalsContact C-N 3.33Å; Q458-G460 PolarHBondContact O-N 3.2Å; G460-S462 PolarHBondContact O-N 2.94Å; G460-I463 PolarHBondContact O-N 3.32Å; G460-I464 WeakPolarHBondContact O-CD1 3.49Å; G460-I464 WeakPolarHBondContact O-CG1 3.31Å; G460-I464 PolarHBondContact O-N 2.99Å
461M47.3Very low47.5Very low43 Ų4378.5 Ų78.521%0.21240%0.395CS..Hα-helixtrans-66.3-35.8-175.8-121.754.7-160.200116.1S441 W457 Q458 K459 I464 M465S441-M461 VanDerWaalsContact CA-CE 3.44Å; S441-M461 VanDerWaalsContact CB-CE 3.41Å; S441-M461 WeakPolarHBondContact OG-CE 3.42Å; W457-M461 WeakPolarHBondContact O-CB 3.23Å; W457-M461 PolarHBondContact O-N 2.71Å; W457-M461 VanDerWaalsContact O-N 3.15Å; Q458-M461 CarbonylContact O-C 3.37Å; Q458-M461 PolarHBondContact O-N 3.2Å; Q458-M461 VanDerWaalsContact O-N 3.12Å; K459-M461 PolarHBondContact O-N 2.93Å; M461-I464 HydrophobicContact CE-CD1 4.1Å; M461-I464 WeakPolarHBondContact O-CB 3.23Å; M461-I464 PolarHBondContact O-N 2.65Å; M461-I464 HydrophobicContact SD-CD1 3.62Å; M461-M465 WeakPolarHBondContact O-CG 3.37Å; M461-M465 PolarHBondContact O-N 3.24Å
462S51.8Low47.2Very low66 Ų6681.7 Ų81.746%0.46241%0.413SS..Hα-helixtrans-73-39.8179.147.80000111.3Q458 K459 G460 I464 M465 Y466Q458-S462 VanDerWaalsContact O-CB 3.29Å; Q458-S462 WeakPolarHBondContact O-CB 3.43Å; Q458-S462 PolarHBondContact O-N 3.42Å; Q458-S462 PolarHBondContact O-OG 2.77Å; K459-S462 WeakPolarHBondContact CA-OG 3.15Å; K459-S462 PolarHBondContact O-OG 3.26Å; K459-S462 VanDerWaalsContact O-OG 3.1Å; G460-S462 PolarHBondContact O-N 2.94Å; S462-I464 PolarHBondContact O-N 3.16Å; S462-M465 PolarHBondContact O-N 2.71Å; S462-Y466 PolarHBondContact O-N 3.4Å; S462-Y466 VanDerWaalsContact O-N 3.11Å
463I49.4Very low46.8Very low29 Ų2983.3 Ų83.315%0.14941%0.408CS..Hα-helixtrans-58.3-40.2168.4-67.7163000109.8S401 K459 G460 Y466 Y467S401-I463 VanDerWaalsContact OG-CD1 3.3Å; S401-I463 WeakPolarHBondContact OG-CD1 3.44Å; K459-I463 WeakPolarHBondContact O-CB 3.41Å; K459-I463 VanDerWaalsContact O-CD1 3.24Å; K459-I463 WeakPolarHBondContact O-CD1 3.43Å; K459-I463 WeakPolarHBondContact O-CG1 3.44Å; K459-I463 PolarHBondContact O-N 2.81Å; G460-I463 PolarHBondContact O-N 3.32Å; I463-Y466 WeakPolarHBondContact O-CB 3.36Å; I463-Y466 PolarHBondContact O-N 3.08Å; I463-Y467 HydrophobicContact CG2-CD2 4.19Å; I463-Y467 HydrophobicContact CG2-CE2 4.12Å; I463-Y467 WeakPolarHBondContact O-CD2 3.42Å; I463-Y467 PolarHBondContact O-N 2.93Å
464I48.4Very low46.4Very low11 Ų1184.3 Ų84.36%0.05641%0.412CS..Hα-helixtrans-66-47.3178.1-68.4164.2000112.1L397 C437 G460 M461 S462 Y466 Y467 K468L397-I464 HydrophobicContact CD1-CD1 3.58Å; L397-I464 HydrophobicContact CD1-CG1 3.93Å; L397-I464 HydrophobicContact CD2-CD1 4.48Å; L397-I464 HydrophobicContact CD2-CG1 3.96Å; C437-I464 HydrophobicContact CB-CD1 4.2Å; C437-I464 HydrophobicContact CB-CG1 4.22Å; C437-I464 HydrophobicContact CB-CG2 3.68Å; C437-I464 VanDerWaalsContact SG-CG1 3.52Å; C437-I464 WeakPolarHBondContact SG-CG2 3.43Å; G460-I464 WeakPolarHBondContact O-CD1 3.49Å; G460-I464 WeakPolarHBondContact O-CG1 3.31Å; G460-I464 PolarHBondContact O-N 2.99Å; M461-I464 HydrophobicContact CE-CD1 4.1Å; M461-I464 WeakPolarHBondContact O-CB 3.23Å; M461-I464 PolarHBondContact O-N 2.65Å; M461-I464 HydrophobicContact SD-CD1 3.62Å; S462-I464 PolarHBondContact O-N 3.16Å; I464-Y466 PolarHBondContact O-N 3.19Å; I464-Y467 PolarHBondContact O-N 3.21Å; I464-Y467 VanDerWaalsContact O-N 3.15Å; I464-K468 PolarHBondContact O-N 3.26Å
465M49.9Very low45.9Very low144 Ų14483.8 Ų83.871%0.70942%0.415SS*.Hα-helixtrans-60.8-33.8178.5-71.2-159.781.200111.6M461 S462 A469M461-M465 WeakPolarHBondContact O-CG 3.37Å; M461-M465 PolarHBondContact O-N 3.24Å; S462-M465 PolarHBondContact O-N 2.71Å; M465-A469 VanDerWaalsContact O-CB 3.29Å; M465-A469 WeakPolarHBondContact O-CB 3.18Å; M465-A469 PolarHBondContact O-N 3.06Å
466Y51.8Low45.3Very low141 Ų14184.8 Ų84.855%0.55342%0.416SS*.Hα-helixtrans-61.2-47.6173.4177.2-95.5000112.4S462 I463 I464 A469 Q470S462-Y466 PolarHBondContact O-N 3.4Å; S462-Y466 VanDerWaalsContact O-N 3.11Å; I463-Y466 WeakPolarHBondContact O-CB 3.36Å; I463-Y466 PolarHBondContact O-N 3.08Å; I464-Y466 PolarHBondContact O-N 3.19Å; Y466-A469 PolarHBondContact O-N 3.34Å; Y466-Q470 PolarHBondContact O-N 3.06Å; Y466-Q470 PolarHBondContact OH-NE2 3.39Å
467Y45.2Very low44.7Very low62 Ų6285.5 Ų85.524%0.24342%0.418CS..Hα-helixtrans-68.9-40.4177.8-81.1-73.7000112.8I400 I420 I463 I464 A469 Q470 D471I400-Y467 HydrophobicContact CG2-CE2 3.78Å; I400-Y467 WeakPolarHBondContact CG2-OH 3.27Å; I420-Y467 HydrophobicContact CD1-CE1 4.33Å; I420-Y467 HydrophobicContact CG1-CE1 4.1Å; I463-Y467 HydrophobicContact CG2-CD2 4.19Å; I463-Y467 HydrophobicContact CG2-CE2 4.12Å; I463-Y467 WeakPolarHBondContact O-CD2 3.42Å; I463-Y467 PolarHBondContact O-N 2.93Å; I464-Y467 PolarHBondContact O-N 3.21Å; I464-Y467 VanDerWaalsContact O-N 3.15Å; Y467-A469 PolarHBondContact O-N 3.26Å; Y467-Q470 WeakPolarHBondContact O-CB 3.39Å; Y467-Q470 PolarHBondContact O-N 3.24Å; Y467-D471 PolarHBondContact O-N 2.86Å
468K44.4Very low44Very low146 Ų14691 Ų9164%0.63545%0.447SS*.Hα-helixtrans-61.3-32.8175.6-156.1179.1-177.1-177.10112.2I464 T472I464-K468 PolarHBondContact O-N 3.26Å; K468-T472 PolarHBondContact O-N 3.49Å; K468-T472 PolarHBondContact O-OG1 3.39Å
469A47.3Very low43.4Very low51 Ų5192.2 Ų92.242%0.42145%0.45SS..Hα-helixtrans-71.7-26.4173.900000113.3M465 Y466 Y467 T472 K473M465-A469 VanDerWaalsContact O-CB 3.29Å; M465-A469 WeakPolarHBondContact O-CB 3.18Å; M465-A469 PolarHBondContact O-N 3.06Å; Y466-A469 PolarHBondContact O-N 3.34Å; Y467-A469 PolarHBondContact O-N 3.26Å; A469-T472 WeakPolarHBondContact CA-OG1 3.44Å; A469-T472 PolarHBondContact O-OG1 3.04Å; A469-K473 PolarHBondContact O-N 3.43Å
470Q47Very low42.8Very low85 Ų8594.8 Ų94.840%0.39746%0.461SS..Hα-helixtrans-72.8-41.1174.2-68-160.4-100111.9Y466 Y467 T472 K473 Y474Y466-Q470 PolarHBondContact O-N 3.06Å; Y466-Q470 PolarHBondContact OH-NE2 3.39Å; Y467-Q470 WeakPolarHBondContact O-CB 3.39Å; Y467-Q470 PolarHBondContact O-N 3.24Å; Q470-T472 PolarHBondContact O-N 3.3Å; Q470-K473 PolarHBondContact O-N 3.43Å; Q470-Y474 PolarHBondContact O-N 3.27Å; Q470-Y474 VanDerWaalsContact O-N 3.14Å
471D44.4Very low42.1Very low54 Ų54103.2 Ų103.229%0.28950%0.496SS..Hα-helixtrans-65.2-38.2178.3-96.58.8000112.5H434 Y467 K473 Y474 V475H434-D471 IonicContact CE1-OD2 3.58Å; H434-D471 PolarHBondContact CE1-OD2 2.96Å; H434-D471 IonicContact NE2-OD2 3.05Å; H434-D471 PolarHBondContact NE2-OD2 3.37Å; Y467-D471 PolarHBondContact O-N 2.86Å; D471-K473 PolarHBondContact O-N 2.87Å; D471-Y474 PolarHBondContact O-N 3.37Å; D471-V475 WeakPolarHBondContact O-CG2 3.38Å; D471-V475 PolarHBondContact O-N 3.35Å; D471-V475 VanDerWaalsContact O-N 3.17Å
472T40.9Very low41.4Very low89 Ų89106.3 Ų106.355%0.54652%0.518SS..Hα-helixtrans-65.4-37.3175.932.40000112.6K468 A469 Q470 Y474 V475 D476K468-T472 PolarHBondContact O-N 3.49Å; K468-T472 PolarHBondContact O-OG1 3.39Å; A469-T472 WeakPolarHBondContact CA-OG1 3.44Å; A469-T472 PolarHBondContact O-OG1 3.04Å; Q470-T472 PolarHBondContact O-N 3.3Å; T472-Y474 VanDerWaalsContact C-N 3.34Å; T472-Y474 PolarHBondContact O-N 2.83Å; T472-V475 PolarHBondContact O-N 3Å; T472-D476 PolarHBondContact O-N 3.01Å
473K38.9Very low40.6Very low153 Ų153114.2 Ų114.267%0.66554%0.538SS*.Hα-helixtrans-65.4-35.5173-81.7-174.3176.7-178.90112.7A469 Q470 D471 V475 D476 I477A469-K473 PolarHBondContact O-N 3.43Å; Q470-K473 PolarHBondContact O-N 3.43Å; D471-K473 PolarHBondContact O-N 2.87Å; K473-V475 VanDerWaalsContact C-N 3.35Å; K473-D476 PolarHBondContact O-N 3.47Å; K473-I477 WeakPolarHBondContact O-CD1 3.48Å; K473-I477 VanDerWaalsContact O-CG1 3.23Å; K473-I477 WeakPolarHBondContact O-CG1 3.38Å; K473-I477 PolarHBondContact O-N 3.4Å
474Y32.9Very low39.8Very low163 Ų163124.4 Ų124.464%0.63959%0.592SS**Hα-helixtrans-67.2-37.3178.8-131.3-88.2000112Q470 D471 T472 I477 M478Q470-Y474 PolarHBondContact O-N 3.27Å; Q470-Y474 VanDerWaalsContact O-N 3.14Å; D471-Y474 PolarHBondContact O-N 3.37Å; T472-Y474 VanDerWaalsContact C-N 3.34Å; T472-Y474 PolarHBondContact O-N 2.83Å; Y474-I477 PolarHBondContact O-N 3.47Å; Y474-M478 WeakPolarHBondContact O-CG 3.15Å; Y474-M478 PolarHBondContact O-N 3.2Å; Y474-M478 VanDerWaalsContact O-N 3.11Å
475V36.4Very low39.3Very low80 Ų80130.1 Ų130.149%0.48562%0.619SS.*Hα-helixtrans-65-41.1174.2177.10000111.6D471 T472 K473 M478 K479D471-V475 WeakPolarHBondContact O-CG2 3.38Å; D471-V475 PolarHBondContact O-N 3.35Å; D471-V475 VanDerWaalsContact O-N 3.17Å; T472-V475 PolarHBondContact O-N 3Å; K473-V475 VanDerWaalsContact C-N 3.35Å; V475-M478 PolarHBondContact O-N 3.36Å; V475-K479 PolarHBondContact O-N 3.38Å
476D35.1Very low38.8Very low105 Ų105129.4 Ų129.456%0.56162%0.615SS**Hα-helixtrans-68.5-34.5177.8-95.3-10.4000113T472 K473 K479 K480T472-D476 PolarHBondContact O-N 3.01Å; K473-D476 PolarHBondContact O-N 3.47Å; D476-K479 PolarHBondContact O-N 3.01Å; D476-K480 PolarHBondContact O-N 3.2Å; D476-K480 VanDerWaalsContact O-N 3.1Å
477I33.7Very low38.1Very low100 Ų100128.7 Ų128.751%0.51362%0.618SS.*Hα-helixtrans-67.9-38.3175.3-66.1162.8000110.7K473 Y474 K480K473-I477 WeakPolarHBondContact O-CD1 3.48Å; K473-I477 VanDerWaalsContact O-CG1 3.23Å; K473-I477 WeakPolarHBondContact O-CG1 3.38Å; K473-I477 PolarHBondContact O-N 3.4Å; Y474-I477 PolarHBondContact O-N 3.47Å; I477-K480 PolarHBondContact O-N 3.08Å
478M32.9Very low37.6Very low137 Ų137132.6 Ų132.668%0.67564%0.64SS**Hα-helixtrans-65.9-39.4175.5-73.5-79.7-114.900111.9Y474 V475Y474-M478 WeakPolarHBondContact O-CG 3.15Å; Y474-M478 PolarHBondContact O-N 3.2Å; Y474-M478 VanDerWaalsContact O-N 3.11Å; V475-M478 PolarHBondContact O-N 3.36Å
479K36.1Very low37.2Very low142 Ų142131.8 Ų131.862%0.61764%0.64SS**Hα-helixtrans-70.3-29177.2-75.9-174.7177.5-178.90113.9V475 D476 K481 T482V475-K479 PolarHBondContact O-N 3.38Å; D476-K479 PolarHBondContact O-N 3.01Å; K479-K481 VanDerWaalsContact C-N 3.34Å; K479-T482 PolarHBondContact O-OG1 3.47Å
480K37Very low36.5Very low184 Ų184137.2 Ų137.280%0.866%0.655SS**Hα-helixtrans-80-9.8179.7-87.3-175.5174.3178.70114.7D476 I477D476-K480 PolarHBondContact O-N 3.2Å; D476-K480 VanDerWaalsContact O-N 3.1Å; I477-K480 PolarHBondContact O-N 3.08Å
481K33.8Very low35.8Very low182 Ų182140.9 Ų140.979%0.79167%0.673SS**THydrogen-bonded Turntrans-90.55.9178.7-88.1-168.3174.5-175.10115.2K479K479-K481 VanDerWaalsContact C-N 3.34Å
482T32.5Very low35.1Very low108 Ų108147.6 Ų147.666%0.66370%0.703SS**  trans-120.354.8178.958.20000111.4K479K479-T482 PolarHBondContact O-OG1 3.47Å
483W34.3Very low34.7Very low233 Ų233152.5 Ų152.588%0.88372%0.716SS**  trans-127.7109.9166.8-75.353.5000105.9
484D32.4Very low34.3Very low243 Ų243152.5 Ų152.5100%1.29972%0.721SS**  trans-51.20177.1-68-51.1000113.9

Retrieved 484 of 484 residues in 715.7 ms (Link to these results)

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