A0A061HZ23_CRIGR Loading...

RNA-binding motif protein, X-linked 2

Involved in pre-mRNA splicing as component of the activated spliceosome. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A061HZ23, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 360 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
1M58.4Low85.4Confident201 Ų20184.5 Ų84.599%0.9944%0.437SS*.  0150.30-78.6175.6164.700109.7
2N81.9Confident86.2Confident82 Ų8283.3 Ų83.344%0.43943%0.428SS..  trans-78137.1171178.5-17.3000108.7L4 T5N2-L4 VanDerWaalsContact C-N 3.25Å; N2-L4 PolarHBondContact O-N 3.38Å; N2-L4 WeakPolarHBondContact OD1-CB 3.37Å; N2-L4 PolarHBondContact OD1-N 2.92Å; N2-T5 HydrophobicContact CB-CG2 4.02Å; N2-T5 PolarHBondContact O-N 3.34Å; N2-T5 PolarHBondContact O-OG1 3.43Å
3P71.5Confident86.7Confident96 Ų9681.8 Ų81.862%0.62342%0.421SS*.Hα-helixtrans-59.5-35.1175.323.4-34.4000113T5 K6P3-T5 PolarHBondContact O-N 3.27Å; P3-K6 PolarHBondContact O-N 2.68Å
4L83.3Confident87.2Confident92 Ų9278 Ų7848%0.48240%0.401SS..Hα-helixtrans-72.5-27.5-178-61.5175.5000113.1N2 K6 V7 K8 T106N2-L4 VanDerWaalsContact C-N 3.25Å; N2-L4 PolarHBondContact O-N 3.38Å; N2-L4 WeakPolarHBondContact OD1-CB 3.37Å; N2-L4 PolarHBondContact OD1-N 2.92Å; L4-K6 VanDerWaalsContact C-N 3.28Å; L4-K6 PolarHBondContact O-N 3.4Å; L4-V7 PolarHBondContact O-N 2.65Å; L4-K8 PolarHBondContact O-N 3.15Å; L4-T106 HydrophobicContact CD2-CG2 4.07Å
5T89.1Confident87.6Confident61 Ų6181.1 Ų81.137%0.37441%0.413SS..Hα-helixtrans-70.9-27.9174.356.10000111.6N2 P3 V7 K8 L9N2-T5 HydrophobicContact CB-CG2 4.02Å; N2-T5 PolarHBondContact O-N 3.34Å; N2-T5 PolarHBondContact O-OG1 3.43Å; P3-T5 PolarHBondContact O-N 3.27Å; T5-V7 VanDerWaalsContact C-N 3.34Å; T5-K8 PolarHBondContact O-N 3.28Å; T5-L9 VanDerWaalsContact O-CG 3.25Å; T5-L9 WeakPolarHBondContact O-CG 3.37Å; T5-L9 PolarHBondContact O-N 3.49Å
6K89.4Confident88Confident86 Ų8685.1 Ų85.137%0.37442%0.422SS..Hα-helixtrans-71.2-27.7173.4-70.7-162.6163.7-1490113.6P3 L4P3-K6 PolarHBondContact O-N 2.68Å; L4-K6 VanDerWaalsContact C-N 3.28Å; L4-K6 PolarHBondContact O-N 3.4Å
7V92.5Very high88.4Confident13 Ų1381.9 Ų81.98%0.07941%0.405CS..Hα-helixtrans-65.8-53.7171.6172.40000108.7L4 T5 L9 I10 N11 N98 G99 T106 R108L4-V7 PolarHBondContact O-N 2.65Å; T5-V7 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.79Å; V7-I10 PolarHBondContact O-N 3.22Å; V7-N11 PolarHBondContact O-N 2.93Å; V7-N11 PolarHBondContact O-OD1 3.39Å; V7-N98 PolarHBondContact O-ND2 3.18Å; V7-G99 VanDerWaalsContact CG1-CA 3.4Å; V7-T106 HydrophobicContact CG1-CG2 4.49Å; V7-T106 HydrophobicContact CG2-CG2 4.38Å; V7-R108 HydrophobicContact CG2-CB 3.67Å; V7-R108 HydrophobicContact CG2-CG 3.92Å
8K93.5Very high88.6Confident140 Ų14081.9 Ų81.961%0.60942%0.42SS*.Hα-helixtrans-53.6-48.6178.2-70.9-165.1169.1-153.90113L4 T5 I10 N11 E12L4-K8 PolarHBondContact O-N 3.15Å; T5-K8 PolarHBondContact O-N 3.28Å; K8-I10 PolarHBondContact O-N 2.69Å; K8-N11 PolarHBondContact O-N 3.47Å; K8-N11 VanDerWaalsContact O-N 3.14Å; K8-E12 VanDerWaalsContact O-CB 3.22Å; K8-E12 WeakPolarHBondContact O-CB 3.34Å; K8-E12 WeakPolarHBondContact O-CG 3.48Å; K8-E12 PolarHBondContact O-N 2.86Å
9L93.5Very high88.8Confident98 Ų9886 Ų8651%0.51344%0.437SS..Hα-helixtrans-60.9-26.9-177.9-74.1167.6000114.4T5 V7 L13T5-L9 VanDerWaalsContact O-CG 3.25Å; T5-L9 WeakPolarHBondContact O-CG 3.37Å; T5-L9 PolarHBondContact O-N 3.49Å; V7-L9 PolarHBondContact O-N 2.79Å; L9-L13 WeakPolarHBondContact O-CB 3.41Å; L9-L13 PolarHBondContact O-N 3.47Å
10I92.5Very high89.1Confident13 Ų1388.8 Ų88.87%0.06745%0.452CS..Hα-helixtrans-79.1-45174.6-69.9168.3000110.1V7 K8 E12 L13 N14 W28 V94 N98V7-I10 PolarHBondContact O-N 3.22Å; K8-I10 PolarHBondContact O-N 2.69Å; I10-E12 VanDerWaalsContact C-N 3.33Å; I10-E12 PolarHBondContact O-N 3.16Å; I10-L13 WeakPolarHBondContact O-CA 3.49Å; I10-L13 WeakPolarHBondContact O-CB 3.25Å; I10-L13 PolarHBondContact O-N 2.86Å; I10-N14 PolarHBondContact O-N 2.72Å; I10-N14 PolarHBondContact O-OD1 3.46Å; I10-W28 HydrophobicContact CG2-CH2 4.36Å; I10-W28 HydrophobicContact CG2-CZ2 3.96Å; I10-V94 HydrophobicContact CG2-CG1 4.32Å; I10-N98 WeakPolarHBondContact CB-ND2 3.37Å
11N93.7Very high89.2Confident48 Ų4887.6 Ų87.626%0.25746%0.463SS..Hα-helixtrans-63.4-42.9177.4-65.129.1000110.6V7 K8 L13 N14 E15 N98V7-N11 PolarHBondContact O-N 2.93Å; V7-N11 PolarHBondContact O-OD1 3.39Å; K8-N11 PolarHBondContact O-N 3.47Å; K8-N11 VanDerWaalsContact O-N 3.14Å; N11-L13 PolarHBondContact O-N 3.44Å; N11-N14 PolarHBondContact O-N 2.93Å; N11-E15 VanDerWaalsContact O-CB 3.27Å; N11-E15 WeakPolarHBondContact O-CB 3.36Å; N11-E15 WeakPolarHBondContact O-CG 3.03Å; N11-E15 PolarHBondContact O-N 2.87Å; N11-N98 PolarHBondContact ND2-O 3.04Å; N11-N98 PolarHBondContact OD1-ND2 3.44Å; N11-N98 PolarHBondContact OD1-O 2.86Å
12E94.7Very high90.8Very high70 Ų7080.5 Ų80.533%0.32743%0.431SS..Hα-helixtrans-61.8-19171.8-82.5-172.5-123.400114.4K8 I10 R16K8-E12 VanDerWaalsContact O-CB 3.22Å; K8-E12 WeakPolarHBondContact O-CB 3.34Å; K8-E12 WeakPolarHBondContact O-CG 3.48Å; K8-E12 PolarHBondContact O-N 2.86Å; I10-E12 VanDerWaalsContact C-N 3.33Å; I10-E12 PolarHBondContact O-N 3.16Å; E12-R16 WeakPolarHBondContact O-CD 3.37Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.27Å; E12-R16 PolarHBondContact O-NH1 3.11Å; E12-R16 IonicContact OE2-NH1 3.02Å; E12-R16 PolarHBondContact OE2-NH1 3.41Å; E12-R16 IonicContact OE2-NH2 3.65Å
13L93.6Very high91.3Very high64 Ų6479.6 Ų79.634%0.33543%0.434SS..Hα-helixtrans-84.9-50.1173.5179.159.6000109.8L9 I10 N11 E15 R16 E17 W28L9-L13 WeakPolarHBondContact O-CB 3.41Å; L9-L13 PolarHBondContact O-N 3.47Å; I10-L13 WeakPolarHBondContact O-CA 3.49Å; I10-L13 WeakPolarHBondContact O-CB 3.25Å; I10-L13 PolarHBondContact O-N 2.86Å; N11-L13 PolarHBondContact O-N 3.44Å; L13-E15 PolarHBondContact O-N 3.27Å; L13-R16 WeakPolarHBondContact O-CB 3.24Å; L13-R16 PolarHBondContact O-N 3.29Å; L13-E17 PolarHBondContact O-N 2.99Å; L13-W28 HydrophobicContact CD2-CB 4.03Å; L13-W28 HydrophobicContact CD2-CD2 3.72Å; L13-W28 HydrophobicContact CD2-CE3 4.43Å; L13-W28 HydrophobicContact CD2-CG 3.52Å; L13-W28 HydrophobicContact CG-CG 4.16Å
14N93Very high91.9Very high28 Ų2881.8 Ų81.815%0.1544%0.436CS..Hα-helixtrans-59.6-42.8176.3-69.114.3000112.2I10 N11 R16 E17 A18 W28 D95I10-N14 PolarHBondContact O-N 2.72Å; I10-N14 PolarHBondContact O-OD1 3.46Å; N11-N14 PolarHBondContact O-N 2.93Å; N14-R16 VanDerWaalsContact C-N 3.28Å; N14-R16 PolarHBondContact O-N 3.43Å; N14-E17 PolarHBondContact O-N 3.15Å; N14-A18 WeakPolarHBondContact O-CB 3.5Å; N14-A18 PolarHBondContact O-N 3.43Å; N14-W28 PolarHBondContact OD1-NE1 3.43Å; N14-D95 PolarHBondContact ND2-OD1 3.18Å
15E93.4Very high92.2Very high124 Ų12485.7 Ų85.758%0.57945%0.449SS*.Hα-helixtrans-58.6-38.3173.8-75164.4-157.100111.6N11 L13 Q19N11-E15 VanDerWaalsContact O-CB 3.27Å; N11-E15 WeakPolarHBondContact O-CB 3.36Å; N11-E15 WeakPolarHBondContact O-CG 3.03Å; N11-E15 PolarHBondContact O-N 2.87Å; L13-E15 PolarHBondContact O-N 3.27Å; E15-Q19 WeakPolarHBondContact O-CB 3.23Å; E15-Q19 PolarHBondContact O-N 3.33Å
16R94.4Very high92.3Very high146 Ų14688 Ų8855%0.55146%0.463SS*.Hα-helixtrans-73.2-40.8176.5-78.1178.7179.592.5-4112.6E12 L13 N14 Q19 L20E12-R16 WeakPolarHBondContact O-CD 3.37Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.27Å; E12-R16 PolarHBondContact O-NH1 3.11Å; E12-R16 IonicContact OE2-NH1 3.02Å; E12-R16 PolarHBondContact OE2-NH1 3.41Å; E12-R16 IonicContact OE2-NH2 3.65Å; L13-R16 WeakPolarHBondContact O-CB 3.24Å; L13-R16 PolarHBondContact O-N 3.29Å; N14-R16 VanDerWaalsContact C-N 3.28Å; N14-R16 PolarHBondContact O-N 3.43Å; R16-Q19 PolarHBondContact O-N 3.26Å; R16-L20 WeakPolarHBondContact O-CB 3.35Å; R16-L20 VanDerWaalsContact O-CG 3.31Å; R16-L20 WeakPolarHBondContact O-CG 3.28Å; R16-L20 PolarHBondContact O-N 3.18Å
17E93.7Very high92.5Very high31 Ų3184.2 Ų84.215%0.14545%0.448CS..Hα-helixtrans-64.9-41.2176.8-73-162.5170.300111.8L13 N14 L20 G21 V22 S27 W28L13-E17 PolarHBondContact O-N 2.99Å; N14-E17 PolarHBondContact O-N 3.15Å; E17-L20 PolarHBondContact O-N 2.9Å; E17-G21 PolarHBondContact O-N 3.34Å; E17-V22 HydrophobicContact CB-CB 4Å; E17-V22 HydrophobicContact CB-CG2 4.07Å; E17-V22 HydrophobicContact CG-CB 4.22Å; E17-V22 HydrophobicContact CG-CG1 4.44Å; E17-V22 HydrophobicContact CG-CG2 4.09Å; E17-V22 PolarHBondContact O-N 2.95Å; E17-S27 WeakPolarHBondContact OE1-CA 3.43Å; E17-S27 WeakPolarHBondContact OE2-CA 3.48Å; E17-S27 WeakPolarHBondContact OE2-CB 3.38Å; E17-S27 PolarHBondContact OE2-OG 3.07Å; E17-W28 PolarHBondContact OE1-N 3.41Å
18A91.8Very high92.5Very high81 Ų8185.2 Ų85.267%0.66945%0.45SS*.Hα-helixtrans-62.3-45.6171.800000112N14 L20 G21N14-A18 WeakPolarHBondContact O-CB 3.5Å; N14-A18 PolarHBondContact O-N 3.43Å; A18-L20 VanDerWaalsContact C-N 3.26Å; A18-L20 PolarHBondContact O-N 2.93Å; A18-G21 PolarHBondContact O-N 2.88Å
19Q94.1Very high92.5Very high160 Ų16079.8 Ų79.875%0.74843%0.427SS*.Hα-helixtrans-65.4-26.9179.2-177.259.188.300113.5E15 R16E15-Q19 WeakPolarHBondContact O-CB 3.23Å; E15-Q19 PolarHBondContact O-N 3.33Å; R16-Q19 PolarHBondContact O-N 3.26Å
20L93.9Very high92.4Very high141 Ų14176.5 Ų76.574%0.73841%0.412SS*.Hα-helixtrans-94.4-4.9177.5-69.4172.1000113.6R16 E17 A18 V22R16-L20 WeakPolarHBondContact O-CB 3.35Å; R16-L20 VanDerWaalsContact O-CG 3.31Å; R16-L20 WeakPolarHBondContact O-CG 3.28Å; R16-L20 PolarHBondContact O-N 3.18Å; E17-L20 PolarHBondContact O-N 2.9Å; A18-L20 VanDerWaalsContact C-N 3.26Å; A18-L20 PolarHBondContact O-N 2.93Å; L20-V22 VanDerWaalsContact C-N 3.35Å; L20-V22 HydrophobicContact CB-CG2 3.88Å
21G91.8Very high92.4Very high65 Ų6583.2 Ų83.267%0.6744%0.443SS*.THydrogen-bonded Turntrans65.534.2-177.600000113.7E17 A18 A23E17-G21 PolarHBondContact O-N 3.34Å; A18-G21 PolarHBondContact O-N 2.88Å; G21-A23 PolarHBondContact O-N 3.22Å
22V92.1Very high92.4Very high52 Ų5283.2 Ų83.232%0.31544%0.44SS..  trans-65.1127-175.8-1800000110.5E17 L20 V26E17-V22 HydrophobicContact CB-CB 4Å; E17-V22 HydrophobicContact CB-CG2 4.07Å; E17-V22 HydrophobicContact CG-CB 4.22Å; E17-V22 HydrophobicContact CG-CG1 4.44Å; E17-V22 HydrophobicContact CG-CG2 4.09Å; E17-V22 PolarHBondContact O-N 2.95Å; L20-V22 VanDerWaalsContact C-N 3.35Å; L20-V22 HydrophobicContact CB-CG2 3.88Å; V22-V26 HydrophobicContact CG1-CG2 3.91Å
23A90.9Very high92.2Very high62 Ų6285.1 Ų85.151%0.51245%0.447SS..  trans-73.4141.6178.300000111.9G21 K25 V26 S27G21-A23 PolarHBondContact O-N 3.22Å; A23-K25 PolarHBondContact O-N 3.14Å; A23-V26 HydrophobicContact CB-CG2 4.27Å; A23-V26 WeakPolarHBondContact O-CG2 3.35Å; A23-V26 PolarHBondContact O-N 3.25Å; A23-S27 PolarHBondContact O-N 3.12Å; A23-S27 VanDerWaalsContact O-N 3.09Å
24E85.3Confident92.1Very high143 Ų14390 Ų9067%0.66847%0.474SS*.THydrogen-bonded Turntrans-41.5-40.6179.9-174.1-168.3-174.800113.9V26 S27 S30E24-V26 PolarHBondContact O-N 3.41Å; E24-S27 PolarHBondContact O-N 2.74Å; E24-S30 PolarHBondContact O-OG 2.89Å
25K89Confident92Very high173 Ų17389.3 Ų89.375%0.75247%0.471SS*.THydrogen-bonded Turntrans-64.1-20.6-178.7-66.3-177.2179.5178.20115.2A23 S30 K33A23-K25 PolarHBondContact O-N 3.14Å; K25-S30 VanDerWaalsContact C-OG 3.27Å; K25-S30 PolarHBondContact O-OG 2.87Å; K25-K33 PolarHBondContact O-NZ 3.38Å
26V91.5Very high92.1Very high109 Ų10984.2 Ų84.266%0.66145%0.45SS*.THydrogen-bonded Turntrans-124.8-1.3-177.6-69.10000113.6V22 A23 E24V22-V26 HydrophobicContact CG1-CG2 3.91Å; A23-V26 HydrophobicContact CB-CG2 4.27Å; A23-V26 WeakPolarHBondContact O-CG2 3.35Å; A23-V26 PolarHBondContact O-N 3.25Å; E24-V26 PolarHBondContact O-N 3.41Å
27S93.5Very high92.1Very high8 Ų879 Ų796%0.05643%0.43CS..SBendtrans-59.4149.8166.2167.40000111.5E17 A23 E24 H29 S30E17-S27 WeakPolarHBondContact OE1-CA 3.43Å; E17-S27 WeakPolarHBondContact OE2-CA 3.48Å; E17-S27 WeakPolarHBondContact OE2-CB 3.38Å; E17-S27 PolarHBondContact OE2-OG 3.07Å; A23-S27 PolarHBondContact O-N 3.12Å; A23-S27 VanDerWaalsContact O-N 3.09Å; E24-S27 PolarHBondContact O-N 2.74Å; S27-H29 PolarHBondContact O-N 3.29Å; S27-H29 VanDerWaalsContact O-N 3.08Å; S27-H29 PolarHBondContact OG-CD2 3.03Å; S27-S30 WeakPolarHBondContact O-CB 3.38Å; S27-S30 PolarHBondContact O-N 3.04Å; S27-S30 PolarHBondContact O-OG 2.78Å; S27-S30 VanDerWaalsContact O-OG 3.07Å
28W92.8Very high92.2Very high34 Ų3477.5 Ų77.513%0.12942%0.423CS..G310 helixtrans-54.1-27.2179.776.7-84000114.7I10 L13 N14 E17 S30 E31 Y32 V94 H111I10-W28 HydrophobicContact CG2-CH2 4.36Å; I10-W28 HydrophobicContact CG2-CZ2 3.96Å; L13-W28 HydrophobicContact CD2-CB 4.03Å; L13-W28 HydrophobicContact CD2-CD2 3.72Å; L13-W28 HydrophobicContact CD2-CE3 4.43Å; L13-W28 HydrophobicContact CD2-CG 3.52Å; L13-W28 HydrophobicContact CG-CG 4.16Å; N14-W28 PolarHBondContact OD1-NE1 3.43Å; E17-W28 PolarHBondContact OE1-N 3.41Å; W28-S30 PolarHBondContact O-N 2.88Å; W28-E31 PolarHBondContact O-N 3.28Å; W28-E31 VanDerWaalsContact O-N 3.16Å; W28-Y32 HydrophobicContact CE3-CD2 4.42Å; W28-Y32 AromaticContact CE3-CE2 3.97Å; W28-Y32 HydrophobicContact CE3-CE2 3.97Å; W28-Y32 HydrophobicContact CZ3-CD2 4.41Å; W28-Y32 AromaticContact CZ3-CE2 3.89Å; W28-Y32 HydrophobicContact CZ3-CE2 3.89Å; W28-V94 HydrophobicContact CH2-CG1 3.81Å; W28-V94 HydrophobicContact CZ2-CG1 3.77Å; W28-H111 AromaticContact CH2-CD2 3.67Å; W28-H111 AromaticContact CZ3-CD2 3.71Å
29H92.8Very high92.4Very high25 Ų2576 Ų7612%0.11640%0.402CS..G310 helixtrans-56.6-21.1171.5-53.2-53000113S27 E31 Y32 V91 D95 H111S27-H29 PolarHBondContact O-N 3.29Å; S27-H29 VanDerWaalsContact O-N 3.08Å; S27-H29 PolarHBondContact OG-CD2 3.03Å; H29-E31 PolarHBondContact O-N 3.49Å; H29-Y32 PolarHBondContact O-N 2.78Å; H29-V91 HydrophobicContact CB-CG1 4.44Å; H29-V91 HydrophobicContact CB-CG2 3.98Å; H29-V91 VanDerWaalsContact CD2-CG1 3.49Å; H29-V91 WeakPolarHBondContact CD2-CG1 3.05Å; H29-D95 IonicContact CE1-OD1 2.65Å; H29-D95 PolarHBondContact CE1-OD1 3.09Å; H29-D95 IonicContact NE2-OD1 2.8Å; H29-D95 PolarHBondContact NE2-OD1 2.84Å; H29-D95 IonicContact NE2-OD2 3.09Å; H29-H111 AromaticContact CE1-NE2 3.09Å; H29-H111 PolarHBondContact CE1-NE2 3.3Å; H29-H111 AromaticContact CG-NE2 3.12Å; H29-H111 AromaticContact ND1-CD2 3.7Å; H29-H111 AromaticContact ND1-NE2 2.31Å; H29-H111 PolarHBondContact ND1-NE2 3.01Å
30S92.2Very high92.4Very high30 Ų3068.4 Ų68.421%0.2137%0.366CS..G310 helixtrans-61.5-20.7177.1-730000114.9E24 K25 S27 W28 Y32 K33E24-S30 PolarHBondContact O-OG 2.89Å; K25-S30 VanDerWaalsContact C-OG 3.27Å; K25-S30 PolarHBondContact O-OG 2.87Å; S27-S30 WeakPolarHBondContact O-CB 3.38Å; S27-S30 PolarHBondContact O-N 3.04Å; S27-S30 PolarHBondContact O-OG 2.78Å; S27-S30 VanDerWaalsContact O-OG 3.07Å; W28-S30 PolarHBondContact O-N 2.88Å; S30-Y32 PolarHBondContact O-N 2.97Å; S30-K33 VanDerWaalsContact OG-CE 3.23Å; S30-K33 WeakPolarHBondContact OG-CE 3.45Å; S30-K33 PolarHBondContact OG-NZ 2.92Å
31E91.9Very high92.4Very high153 Ų15362 Ų6272%0.71534%0.335SS*.G310 helixtrans-73-10.8174.1-61.3-172.9177.600113.1W28 H29W28-E31 PolarHBondContact O-N 3.28Å; W28-E31 VanDerWaalsContact O-N 3.16Å; H29-E31 PolarHBondContact O-N 3.49Å
32Y93.3Very high92.5Very high48 Ų4860 Ų6019%0.18831%0.313CS..G310 helixtrans-118.75.1-171-63.3-83.7000114.4W28 H29 S30 D34 S35 Q87 H111W28-Y32 HydrophobicContact CE3-CD2 4.42Å; W28-Y32 AromaticContact CE3-CE2 3.97Å; W28-Y32 HydrophobicContact CE3-CE2 3.97Å; W28-Y32 HydrophobicContact CZ3-CD2 4.41Å; W28-Y32 AromaticContact CZ3-CE2 3.89Å; W28-Y32 HydrophobicContact CZ3-CE2 3.89Å; H29-Y32 PolarHBondContact O-N 2.78Å; S30-Y32 PolarHBondContact O-N 2.97Å; Y32-D34 PolarHBondContact O-N 3.36Å; Y32-S35 PolarHBondContact O-N 3.49Å; Y32-Q87 PolarHBondContact O-NE2 3.5Å; Y32-H111 HydrophobicContact CD1-CB 3.34Å; Y32-H111 HydrophobicContact CD2-CB 3.68Å; Y32-H111 AromaticContact CD2-CD2 3.98Å; Y32-H111 HydrophobicContact CE1-CB 3.61Å; Y32-H111 HydrophobicContact CE2-CB 3.95Å; Y32-H111 HydrophobicContact CG-CB 3.35Å; Y32-H111 AromaticContact CG-CG 3.87Å
33K90.9Very high92.6Very high110 Ų11057.7 Ų57.748%0.47830%0.299SS..THydrogen-bonded Turntrans-48.1-31.7-174.8-75.7168178.41520115.2K25 S30 Q87K25-K33 PolarHBondContact O-NZ 3.38Å; S30-K33 VanDerWaalsContact OG-CE 3.23Å; S30-K33 WeakPolarHBondContact OG-CE 3.45Å; S30-K33 PolarHBondContact OG-NZ 2.92Å; K33-Q87 PolarHBondContact O-OE1 3.17Å
34D91.4Very high92.7Very high168 Ų16855.2 Ų55.290%0.89828%0.278SS*.THydrogen-bonded Turntrans-91.39.9-175.1-50.2-49.3000113.9Y32Y32-D34 PolarHBondContact O-N 3.36Å
35S91.8Very high93.1Very high12 Ų1254.9 Ų54.98%0.08427%0.272CS..  trans-147.1106.5-177.1-174.50000113.9Y32 W37 Q87 V112Y32-S35 PolarHBondContact O-N 3.49Å; S35-W37 PolarHBondContact O-N 3.36Å; S35-Q87 PolarHBondContact O-NE2 3.38Å; S35-Q87 VanDerWaalsContact O-NE2 3.1Å; S35-Q87 PolarHBondContact O-OE1 3.15Å; S35-V112 WeakPolarHBondContact CB-O 3.5Å; S35-V112 PolarHBondContact OG-O 3.27Å
36A94.4Very high93.2Very high18 Ų1853.5 Ų53.515%0.14927%0.268CS..  trans-72.619.1178.400000114.3C83 Y84 T90A36-C83 WeakPolarHBondContact O-CA 3.25Å; A36-Y84 PolarHBondContact O-N 3.43Å; A36-Y84 VanDerWaalsContact O-N 3.09Å; A36-T90 HydrophobicContact CB-CG2 4.31Å; A36-T90 VanDerWaalsContact O-CG2 3.24Å; A36-T90 WeakPolarHBondContact O-CG2 3.24Å
37W94.9Very high93.2Very high35 Ų3549 Ų4913%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-100.8128.2-175.3-72.194.9000113.3S35 N64 F81 L82 C83 V112 Y115 A117S35-W37 PolarHBondContact O-N 3.36Å; W37-N64 HydrophobicContact CH2-CB 3.76Å; W37-N64 HydrophobicContact CZ2-CB 4.4Å; W37-N64 HydrophobicContact CZ3-CB 4.41Å; W37-F81 HydrophobicContact CE3-CB 4.23Å; W37-F81 HydrophobicContact CZ3-CB 4.26Å; W37-L82 WeakPolarHBondContact CA-O 3.22Å; W37-C83 HydrophobicContact CD2-CB 3.7Å; W37-C83 HydrophobicContact CE3-CB 3.72Å; W37-C83 HydrophobicContact CG-CB 4.42Å; W37-C83 HydrophobicContact CH2-CB 3.79Å; W37-C83 HydrophobicContact CZ2-CB 3.75Å; W37-C83 HydrophobicContact CZ3-CB 3.77Å; W37-V112 HydrophobicContact CB-CB 4.3Å; W37-V112 PolarHBondContact O-N 3.45Å; W37-Y115 AromaticContact CD2-CD1 3.55Å; W37-Y115 HydrophobicContact CD2-CD1 3.55Å; W37-Y115 HydrophobicContact CD2-CG 4.13Å; W37-Y115 AromaticContact CE2-CD1 3.87Å; W37-Y115 AromaticContact CE3-CD1 3.33Å; W37-Y115 HydrophobicContact CE3-CD1 3.33Å; W37-Y115 AromaticContact CE3-CE1 3.92Å; W37-Y115 HydrophobicContact CE3-CE1 3.92Å; W37-Y115 HydrophobicContact CE3-CG 4.11Å; W37-Y115 HydrophobicContact CG-CD1 4.27Å; W37-Y115 HydrophobicContact CG-CG 4.41Å; W37-Y115 AromaticContact CH2-CD1 3.82Å; W37-Y115 HydrophobicContact CH2-CD1 3.82Å; W37-Y115 AromaticContact CH2-CE1 3.97Å; W37-Y115 HydrophobicContact CH2-CE1 3.97Å; W37-Y115 HydrophobicContact CZ2-CD1 4.01Å; W37-Y115 AromaticContact CZ3-CD1 3.48Å; W37-Y115 HydrophobicContact CZ3-CD1 3.48Å; W37-Y115 VanDerWaalsContact CZ3-CD1 3.48Å; W37-Y115 AromaticContact CZ3-CE1 3.63Å; W37-Y115 HydrophobicContact CZ3-CE1 3.63Å; W37-A117 HydrophobicContact CH2-CB 4.17Å; W37-A117 HydrophobicContact CZ2-CB 4.48Å
38I95.8Very high93.2Very high0 Ų051.5 Ų51.50%026%0.255CS..EExtended strand (participates in β ladder)trans-112.5148.9169.762.9171000112.2L40 F56 F81 L82 Y84 T90 A93 V94 V109 D110I38-L40 HydrophobicContact CD1-CD2 3.72Å; I38-L40 HydrophobicContact CD1-CG 4.49Å; I38-L40 HydrophobicContact CG1-CD2 4.25Å; I38-F56 HydrophobicContact CD1-CD1 4.18Å; I38-F56 HydrophobicContact CD1-CE1 4.29Å; I38-F81 WeakPolarHBondContact O-CA 3.39Å; I38-L82 HydrophobicContact CD1-CD2 4.12Å; I38-L82 HydrophobicContact CG1-CB 3.99Å; I38-L82 HydrophobicContact CG1-CD2 4.04Å; I38-L82 PolarHBondContact N-O 3.48Å; I38-L82 PolarHBondContact O-N 3.47Å; I38-L82 VanDerWaalsContact O-N 3.07Å; I38-Y84 HydrophobicContact CD1-CE2 3.81Å; I38-Y84 HydrophobicContact CG1-CE2 4.45Å; I38-T90 HydrophobicContact CG2-CG2 3.97Å; I38-A93 HydrophobicContact CD1-CB 4.02Å; I38-V94 HydrophobicContact CG2-CG2 4.08Å; I38-V109 HydrophobicContact CB-CG1 4.26Å; I38-V109 HydrophobicContact CD1-CG1 3.86Å; I38-D110 CarbonylContact C-O 3.57Å; I38-D110 WeakPolarHBondContact CA-O 3.48Å
39F95.3Very high93.2Very high49 Ų4952.3 Ų52.322%0.21526%0.26CS..EExtended strand (participates in β ladder)trans-97.3123.2169165.2-94.5000109.7F79 F81 V109 D110 V112F39-F79 HydrophobicContact CE2-CB 3.77Å; F39-F79 HydrophobicContact CE2-CD2 4.08Å; F39-F79 HydrophobicContact CE2-CG 4.2Å; F39-F79 HydrophobicContact CZ-CB 4.07Å; F39-F81 HydrophobicContact CB-CD1 4.26Å; F39-F81 HydrophobicContact CB-CE1 4.07Å; F39-F81 HydrophobicContact CD2-CD1 4.32Å; F39-F81 AromaticContact CD2-CE1 3.71Å; F39-F81 HydrophobicContact CD2-CE1 3.71Å; F39-F81 HydrophobicContact CD2-CE2 4.43Å; F39-F81 AromaticContact CD2-CZ 3.77Å; F39-F81 HydrophobicContact CD2-CZ 3.77Å; F39-F81 HydrophobicContact CE2-CZ 4.39Å; F39-F81 HydrophobicContact CG-CE1 4.38Å; F39-V109 WeakPolarHBondContact O-CA 3.29Å; F39-D110 HydrophobicContact CB-CB 4.3Å; F39-D110 HydrophobicContact CD1-CB 4.1Å; F39-D110 PolarHBondContact N-O 3.06Å; F39-D110 PolarHBondContact O-N 3.33Å; F39-V112 HydrophobicContact CB-CG2 3.52Å
40L95.2Very high93.3Very high1 Ų152.8 Ų52.81%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-101.5120.2171.4-53.8-177.6000108.8I38 L43 I52 F56 F79 C80 L82 V109I38-L40 HydrophobicContact CD1-CD2 3.72Å; I38-L40 HydrophobicContact CD1-CG 4.49Å; I38-L40 HydrophobicContact CG1-CD2 4.25Å; L40-L43 HydrophobicContact CB-CD1 4.01Å; L40-L43 HydrophobicContact CB-CG 4.48Å; L40-I52 HydrophobicContact CD1-CG2 3.57Å; L40-F56 HydrophobicContact CD1-CD1 4.38Å; L40-F56 HydrophobicContact CD1-CD2 4.1Å; L40-F56 HydrophobicContact CD1-CE1 4.12Å; L40-F56 HydrophobicContact CD1-CE2 3.82Å; L40-F56 HydrophobicContact CD1-CG 4.39Å; L40-F56 HydrophobicContact CD1-CZ 3.84Å; L40-F56 HydrophobicContact CD2-CD1 4.15Å; L40-F56 HydrophobicContact CD2-CE1 3.36Å; L40-F56 HydrophobicContact CD2-CE2 4.29Å; L40-F56 HydrophobicContact CD2-CZ 3.46Å; L40-F56 VanDerWaalsContact CD2-CZ 3.46Å; L40-F56 HydrophobicContact CG-CE1 4.4Å; L40-F56 HydrophobicContact CG-CZ 4.27Å; L40-F79 CarbonylContact O-C 3.54Å; L40-F79 WeakPolarHBondContact O-CA 3.44Å; L40-F79 VanDerWaalsContact O-CB 3.3Å; L40-F79 WeakPolarHBondContact O-CB 3.33Å; L40-C80 HydrophobicContact CB-CB 4.08Å; L40-C80 HydrophobicContact CD1-CB 4.26Å; L40-C80 PolarHBondContact N-O 3.47Å; L40-C80 PolarHBondContact O-N 2.88Å; L40-L82 HydrophobicContact CD1-CB 4.44Å; L40-L82 HydrophobicContact CD1-CD1 4.31Å; L40-V109 HydrophobicContact CD2-CB 4.38Å; L40-V109 HydrophobicContact CD2-CG1 3.93Å; L40-V109 HydrophobicContact CD2-CG2 3.76Å
41G94.6Very high93.4Very high7 Ų754.9 Ų54.97%0.07228%0.281CS..EExtended strand (participates in β ladder)trans-124.4149.6-179.800000112.8I107 R108G41-I107 CarbonylContact O-C 3.54Å; G41-I107 WeakPolarHBondContact O-CA 3.35Å; G41-R108 PolarHBondContact N-O 3.02Å; G41-R108 PolarHBondContact O-N 3.22Å
42G93.1Very high93.5Very high22 Ų2247.7 Ų47.723%0.22725%0.248CC..SBendtrans81.515.9177.300000114.4G78 R105G42-G78 PolarHBondContact N-O 3.26Å; G42-R105 WeakPolarHBondContact O-CD 3.19Å; G42-R105 VanDerWaalsContact O-CG 3.24Å; G42-R105 WeakPolarHBondContact O-CG 3.1Å; G42-R105 PolarHBondContact O-NE 2.79Å; G42-R105 VanDerWaalsContact O-NE 3.16Å
43L94.3Very high93.6Very high4 Ų448.6 Ų48.62%0.02126%0.255CS..  trans-60.2146.7175.6-65.4164.7000111.4L40 I52 L67 G78 C80 R105 I107L40-L43 HydrophobicContact CB-CD1 4.01Å; L40-L43 HydrophobicContact CB-CG 4.48Å; L43-I52 HydrophobicContact CD1-CD1 3.79Å; L43-I52 HydrophobicContact CD1-CG1 4.42Å; L43-L67 HydrophobicContact CD1-CD1 4.3Å; L43-G78 PolarHBondContact N-O 3.31Å; L43-G78 WeakPolarHBondContact O-CA 3.19Å; L43-C80 HydrophobicContact CD1-CB 3.7Å; L43-R105 PolarHBondContact O-NH1 3.18Å; L43-I107 HydrophobicContact CD2-CG2 3.91Å
44P93.6Very high93.7Very high11 Ų1148.3 Ų48.37%0.07127%0.266CS..  trans-57.5148.1167.5-22.533.4000112.1E46 L47 I102 K103P44-E46 VanDerWaalsContact C-N 3.26Å; P44-E46 PolarHBondContact O-N 3.21Å; P44-L47 HydrophobicContact CB-CB 4.23Å; P44-L47 HydrophobicContact CG-CD1 4.23Å; P44-L47 PolarHBondContact O-N 3.11Å; P44-I102 HydrophobicContact CG-CB 4.49Å; P44-I102 HydrophobicContact CG-CG2 4.26Å; P44-I102 WeakPolarHBondContact CG-O 3.2Å; P44-K103 HydrophobicContact CB-CB 4.46Å; P44-K103 HydrophobicContact CB-CD 4.48Å; P44-K103 HydrophobicContact CG-CB 3.98Å; P44-K103 HydrophobicContact CG-CG 4.37Å
45Y92.4Very high93.8Very high136 Ų13642.7 Ų42.753%0.53324%0.238SC..THydrogen-bonded Turntrans-76-14.1-177.4-61.7-60.5000114.4S76 R105Y45-S76 VanDerWaalsContact CD1-O 3.27Å; Y45-S76 WeakPolarHBondContact CD1-O 3.42Å; Y45-R105 VanDerWaalsContact CZ-NH1 3.31Å; Y45-R105 PolarHBondContact OH-NH1 2.87Å; Y45-R105 PolarHBondContact OH-NH2 2.72Å
46E91.5Very high94Very high144 Ų14442.2 Ų42.267%0.67323%0.234SC*.THydrogen-bonded Turntrans-88.2-10.5178.8-64.1159.2-161.100113P44 K103P44-E46 VanDerWaalsContact C-N 3.26Å; P44-E46 PolarHBondContact O-N 3.21Å; E46-K103 IonicContact OE2-NZ 2.68Å; E46-K103 PolarHBondContact OE2-NZ 2.84Å
47L91.9Very high94Very high15 Ų1544.2 Ų44.28%0.07925%0.247CC..  trans-90131.7-167.2-162.1146.9000109.9P44 D51 I52 L67 I102P44-L47 HydrophobicContact CB-CB 4.23Å; P44-L47 HydrophobicContact CG-CD1 4.23Å; P44-L47 PolarHBondContact O-N 3.11Å; L47-D51 HydrophobicContact CD1-CB 4.39Å; L47-D51 HydrophobicContact CD2-CB 3.59Å; L47-D51 HydrophobicContact CG-CB 3.61Å; L47-I52 HydrophobicContact CD2-CD1 4.22Å; L47-I52 HydrophobicContact CD2-CG1 3.38Å; L47-L67 WeakPolarHBondContact O-CD2 3.47Å; L47-I102 HydrophobicContact CD1-CG2 3.51Å
48T93.6Very high94Very high60 Ų6048.1 Ų48.137%0.36827%0.267SS..  trans-95.4168.7-17269.40000112.5G50 D51 I52T48-G50 VanDerWaalsContact C-N 3.27Å; T48-G50 PolarHBondContact O-N 3.27Å; T48-G50 PolarHBondContact OG1-N 2.92Å; T48-D51 WeakPolarHBondContact CB-OD2 3.24Å; T48-D51 PolarHBondContact N-OD2 2.74Å; T48-D51 PolarHBondContact O-N 2.99Å; T48-D51 VanDerWaalsContact OG1-CG 3.22Å; T48-D51 PolarHBondContact OG1-N 3.24Å; T48-D51 PolarHBondContact OG1-OD2 3.36Å; T48-I52 WeakPolarHBondContact O-CG1 3.31Å; T48-I52 PolarHBondContact O-N 2.79Å; T48-I52 VanDerWaalsContact O-N 3.12Å
49E92.6Very high94Very high50 Ų5051.1 Ų51.123%0.23428%0.278CS..Hα-helixtrans-57.7-40.6173.1-63.576.5-173.300111.4I52 I53 I65 L67 R69E49-I52 PolarHBondContact O-N 3.41Å; E49-I53 WeakPolarHBondContact O-CG1 3.44Å; E49-I53 PolarHBondContact O-N 3.04Å; E49-I65 HydrophobicContact CB-CD1 4.26Å; E49-I65 HydrophobicContact CB-CG2 4.49Å; E49-L67 HydrophobicContact CG-CB 3.76Å; E49-L67 HydrophobicContact CG-CD2 4.17Å; E49-L67 WeakPolarHBondContact OE1-CB 3.36Å; E49-L67 WeakPolarHBondContact OE1-CD2 3.15Å; E49-R69 IonicContact OE1-CZ 3.24Å; E49-R69 VanDerWaalsContact OE1-CZ 3.24Å; E49-R69 IonicContact OE1-NE 3.22Å; E49-R69 PolarHBondContact OE1-NE 3.35Å; E49-R69 IonicContact OE1-NH2 2.93Å; E49-R69 PolarHBondContact OE1-NH2 3.44Å; E49-R69 IonicContact OE2-CZ 3.74Å; E49-R69 IonicContact OE2-NE 3.61Å; E49-R69 IonicContact OE2-NH2 2.69Å; E49-R69 PolarHBondContact OE2-NH2 2.81Å
50G94.3Very high93.9Very high36 Ų3649.8 Ų49.837%0.37128%0.278SS..Hα-helixtrans-62.9-43.9176.100000112.7T48 I52 I53 C54T48-G50 VanDerWaalsContact C-N 3.27Å; T48-G50 PolarHBondContact O-N 3.27Å; T48-G50 PolarHBondContact OG1-N 2.92Å; G50-I52 VanDerWaalsContact C-N 3.27Å; G50-I52 PolarHBondContact O-N 3.37Å; G50-I53 PolarHBondContact O-N 2.67Å; G50-C54 PolarHBondContact O-N 3.09Å; G50-C54 PolarHBondContact O-SG 3.45Å; G50-C54 VanDerWaalsContact O-SG 3.34Å
51D93.8Very high93.9Very high74 Ų7456.7 Ų56.740%0.39631%0.31SS..Hα-helixtrans-60.9-36.2175.2-59.5-59.4000112L47 T48 V55L47-D51 HydrophobicContact CD1-CB 4.39Å; L47-D51 HydrophobicContact CD2-CB 3.59Å; L47-D51 HydrophobicContact CG-CB 3.61Å; T48-D51 WeakPolarHBondContact CB-OD2 3.24Å; T48-D51 PolarHBondContact N-OD2 2.74Å; T48-D51 PolarHBondContact O-N 2.99Å; T48-D51 VanDerWaalsContact OG1-CG 3.22Å; T48-D51 PolarHBondContact OG1-N 3.24Å; T48-D51 PolarHBondContact OG1-OD2 3.36Å; D51-V55 WeakPolarHBondContact O-CG2 3.48Å; D51-V55 PolarHBondContact O-N 3.27Å
52I94.1Very high94Very high2 Ų257.8 Ų57.81%0.0132%0.315CS..Hα-helixtrans-67.2-48.3174.9-61.1168.9000109.6L40 L43 L47 T48 E49 G50 C54 V55 F56 I65 L67 C80 L82L40-I52 HydrophobicContact CD1-CG2 3.57Å; L43-I52 HydrophobicContact CD1-CD1 3.79Å; L43-I52 HydrophobicContact CD1-CG1 4.42Å; L47-I52 HydrophobicContact CD2-CD1 4.22Å; L47-I52 HydrophobicContact CD2-CG1 3.38Å; T48-I52 WeakPolarHBondContact O-CG1 3.31Å; T48-I52 PolarHBondContact O-N 2.79Å; T48-I52 VanDerWaalsContact O-N 3.12Å; E49-I52 PolarHBondContact O-N 3.41Å; G50-I52 VanDerWaalsContact C-N 3.27Å; G50-I52 PolarHBondContact O-N 3.37Å; I52-C54 PolarHBondContact O-N 3.35Å; I52-V55 PolarHBondContact O-N 2.97Å; I52-F56 HydrophobicContact CG2-CD2 3.76Å; I52-F56 HydrophobicContact CG2-CE2 4.3Å; I52-F56 HydrophobicContact CG2-CG 4.41Å; I52-F56 WeakPolarHBondContact O-CB 3.38Å; I52-F56 WeakPolarHBondContact O-CD2 3.12Å; I52-F56 PolarHBondContact O-N 2.84Å; I52-I65 HydrophobicContact CB-CD1 3.74Å; I52-I65 HydrophobicContact CD1-CD1 4.2Å; I52-I65 HydrophobicContact CG2-CD1 3.68Å; I52-L67 HydrophobicContact CD1-CB 4.47Å; I52-L67 HydrophobicContact CD1-CD1 4Å; I52-L67 HydrophobicContact CD1-CD2 4.16Å; I52-L67 HydrophobicContact CD1-CG 4.45Å; I52-C80 HydrophobicContact CD1-CB 3.89Å; I52-L82 HydrophobicContact CG2-CD1 4.08Å
53I95.4Very high94Very high67 Ų6760.8 Ų60.834%0.34433%0.328SS..Hα-helixtrans-56.9-49.6179.1-69.5163.9000110.4E49 G50 V55 F56 S57 I62 I65E49-I53 WeakPolarHBondContact O-CG1 3.44Å; E49-I53 PolarHBondContact O-N 3.04Å; G50-I53 PolarHBondContact O-N 2.67Å; I53-V55 VanDerWaalsContact C-N 3.26Å; I53-V55 PolarHBondContact O-N 3.48Å; I53-F56 PolarHBondContact O-N 3.07Å; I53-S57 VanDerWaalsContact O-CB 3.23Å; I53-S57 WeakPolarHBondContact O-CB 3.4Å; I53-S57 PolarHBondContact O-N 3.23Å; I53-S57 PolarHBondContact O-OG 2.83Å; I53-S57 VanDerWaalsContact O-OG 3.11Å; I53-I62 HydrophobicContact CB-CD1 4.34Å; I53-I62 HydrophobicContact CG1-CD1 4.37Å; I53-I62 HydrophobicContact CG2-CD1 4.22Å; I53-I65 HydrophobicContact CD1-CG2 4.23Å; I53-I65 HydrophobicContact CG1-CD1 4.02Å
54C94.6Very high93.9Very high103 Ų10364.7 Ų64.770%0.69635%0.349SS*.Hα-helixtrans-64-24.9-179-67.70000114.6G50 I52G50-C54 PolarHBondContact O-N 3.09Å; G50-C54 PolarHBondContact O-SG 3.45Å; G50-C54 VanDerWaalsContact O-SG 3.34Å; I52-C54 PolarHBondContact O-N 3.35Å
55V93.5Very high93.9Very high51 Ų5166.5 Ų66.531%0.30936%0.358SS..Hα-helixtrans-84.1-49.7173.2170.70000110.6D51 I52 I53 F97D51-V55 WeakPolarHBondContact O-CG2 3.48Å; D51-V55 PolarHBondContact O-N 3.27Å; I52-V55 PolarHBondContact O-N 2.97Å; I53-V55 VanDerWaalsContact C-N 3.26Å; I53-V55 PolarHBondContact O-N 3.48Å; V55-F97 HydrophobicContact CG1-CD1 4.38Å; V55-F97 HydrophobicContact CG1-CE1 3.6Å; V55-F97 HydrophobicContact CG1-CZ 3.93Å; V55-F97 VanDerWaalsContact O-CZ 3.28Å; V55-F97 WeakPolarHBondContact O-CZ 3.43Å
56F94.8Very high93.9Very high1 Ų162.1 Ų62.10%0.00434%0.343CS..Hα-helixtrans-79.9-18.8-169.2-78.8-95.4000113.8I38 L40 I52 I53 Q58 Y59 I62 L82 Y84 F97 I107 V109I38-F56 HydrophobicContact CD1-CD1 4.18Å; I38-F56 HydrophobicContact CD1-CE1 4.29Å; L40-F56 HydrophobicContact CD1-CD1 4.38Å; L40-F56 HydrophobicContact CD1-CD2 4.1Å; L40-F56 HydrophobicContact CD1-CE1 4.12Å; L40-F56 HydrophobicContact CD1-CE2 3.82Å; L40-F56 HydrophobicContact CD1-CG 4.39Å; L40-F56 HydrophobicContact CD1-CZ 3.84Å; L40-F56 HydrophobicContact CD2-CD1 4.15Å; L40-F56 HydrophobicContact CD2-CE1 3.36Å; L40-F56 HydrophobicContact CD2-CE2 4.29Å; L40-F56 HydrophobicContact CD2-CZ 3.46Å; L40-F56 VanDerWaalsContact CD2-CZ 3.46Å; L40-F56 HydrophobicContact CG-CE1 4.4Å; L40-F56 HydrophobicContact CG-CZ 4.27Å; I52-F56 HydrophobicContact CG2-CD2 3.76Å; I52-F56 HydrophobicContact CG2-CE2 4.3Å; I52-F56 HydrophobicContact CG2-CG 4.41Å; I52-F56 WeakPolarHBondContact O-CB 3.38Å; I52-F56 WeakPolarHBondContact O-CD2 3.12Å; I52-F56 PolarHBondContact O-N 2.84Å; I53-F56 PolarHBondContact O-N 3.07Å; F56-Q58 PolarHBondContact O-N 3.06Å; F56-Q58 VanDerWaalsContact O-N 3.09Å; F56-Y59 PolarHBondContact O-N 3.12Å; F56-I62 HydrophobicContact CB-CD1 4.02Å; F56-L82 HydrophobicContact CB-CD1 3.79Å; F56-L82 HydrophobicContact CG-CD1 4.15Å; F56-Y84 PolarHBondContact O-OH 3.34Å; F56-F97 HydrophobicContact CB-CE2 4.37Å; F56-F97 AromaticContact CD1-CD2 3.45Å; F56-F97 HydrophobicContact CD1-CD2 3.45Å; F56-F97 VanDerWaalsContact CD1-CD2 3.45Å; F56-F97 AromaticContact CD1-CE2 3.43Å; F56-F97 HydrophobicContact CD1-CE2 3.43Å; F56-F97 VanDerWaalsContact CD1-CE2 3.43Å; F56-F97 HydrophobicContact CD1-CG 4.23Å; F56-F97 HydrophobicContact CD1-CZ 4.24Å; F56-F97 HydrophobicContact CE1-CB 3.9Å; F56-F97 HydrophobicContact CE1-CD1 4.37Å; F56-F97 AromaticContact CE1-CD2 3.24Å; F56-F97 HydrophobicContact CE1-CD2 3.24Å; F56-F97 AromaticContact CE1-CE2 3.72Å; F56-F97 HydrophobicContact CE1-CE2 3.72Å; F56-F97 AromaticContact CE1-CG 3.62Å; F56-F97 HydrophobicContact CE1-CG 3.62Å; F56-F97 HydrophobicContact CE1-CZ 4.47Å; F56-F97 HydrophobicContact CG-CD2 4.35Å; F56-F97 AromaticContact CG-CE2 3.96Å; F56-F97 HydrophobicContact CG-CE2 3.96Å; F56-F97 HydrophobicContact CG-CZ 4.38Å; F56-F97 HydrophobicContact CZ-CB 4.15Å; F56-F97 HydrophobicContact CZ-CD1 4.37Å; F56-F97 HydrophobicContact CZ-CD2 4.02Å; F56-F97 HydrophobicContact CZ-CE2 4.45Å; F56-F97 AromaticContact CZ-CG 3.97Å; F56-F97 HydrophobicContact CZ-CG 3.97Å; F56-I107 HydrophobicContact CZ-CD1 3.88Å; F56-V109 HydrophobicContact CE1-CG2 4.15Å; F56-V109 HydrophobicContact CZ-CG2 4.29Å
57S95.4Very high94Very high60 Ų6055.7 Ų55.742%0.4231%0.314SS..G310 helixtrans-62.1-16.3177.860.30000114.7I53 Y59 G60I53-S57 VanDerWaalsContact O-CB 3.23Å; I53-S57 WeakPolarHBondContact O-CB 3.4Å; I53-S57 PolarHBondContact O-N 3.23Å; I53-S57 PolarHBondContact O-OG 2.83Å; I53-S57 VanDerWaalsContact O-OG 3.11Å; S57-Y59 PolarHBondContact O-N 2.96Å; S57-Y59 VanDerWaalsContact O-N 3.07Å; S57-G60 WeakPolarHBondContact CA-O 3.38Å; S57-G60 PolarHBondContact O-N 3.44Å
58Q94.8Very high93.9Very high118 Ų11856.3 Ų56.355%0.55132%0.318SS*.G310 helixtrans-63.7-13.5-179.378.4-178.116.400114.7F56 F97F56-Q58 PolarHBondContact O-N 3.06Å; F56-Q58 VanDerWaalsContact O-N 3.09Å; Q58-F97 HydrophobicContact CG-CE2 4.38Å; Q58-F97 HydrophobicContact CG-CZ 3.76Å
59Y94.4Very high93.9Very high63 Ų6358.7 Ų58.725%0.24732%0.32CS..G310 helixtrans-116.71.9177.5-60.5-48.5000114.5F56 S57 S89 L92 A93 N96 F97F56-Y59 PolarHBondContact O-N 3.12Å; S57-Y59 PolarHBondContact O-N 2.96Å; S57-Y59 VanDerWaalsContact O-N 3.07Å; Y59-S89 WeakPolarHBondContact O-CB 3.31Å; Y59-S89 PolarHBondContact O-OG 3.32Å; Y59-L92 HydrophobicContact CD1-CB 4.18Å; Y59-L92 HydrophobicContact CD2-CB 4.47Å; Y59-L92 HydrophobicContact CG-CB 3.98Å; Y59-A93 HydrophobicContact CD2-CB 4.3Å; Y59-N96 HydrophobicContact CE2-CB 3.66Å; Y59-N96 WeakPolarHBondContact OH-CB 3.47Å; Y59-F97 AromaticContact CD2-CD2 3.86Å; Y59-F97 HydrophobicContact CD2-CD2 3.86Å; Y59-F97 AromaticContact CD2-CE2 3.34Å; Y59-F97 HydrophobicContact CD2-CE2 3.34Å; Y59-F97 AromaticContact CD2-CZ 3.99Å; Y59-F97 HydrophobicContact CD2-CZ 3.99Å; Y59-F97 AromaticContact CE2-CD2 3.76Å; Y59-F97 HydrophobicContact CE2-CD2 3.76Å; Y59-F97 HydrophobicContact CE2-CE1 4.38Å; Y59-F97 AromaticContact CE2-CE2 3.42Å; Y59-F97 HydrophobicContact CE2-CE2 3.42Å; Y59-F97 VanDerWaalsContact CE2-CE2 3.42Å; Y59-F97 HydrophobicContact CE2-CG 4.4Å; Y59-F97 AromaticContact CE2-CZ 3.76Å; Y59-F97 HydrophobicContact CE2-CZ 3.76Å
60G94.4Very high93.8Very high21 Ų2158.8 Ų58.822%0.21632%0.322CS..SBendtrans159.2165.6177.400000114.1S57 S89S57-G60 WeakPolarHBondContact CA-O 3.38Å; S57-G60 PolarHBondContact O-N 3.44Å; G60-S89 WeakPolarHBondContact CA-OG 3.49Å
61E95.3Very high93.6Very high145 Ų14566.6 Ų66.668%0.67835%0.346SS*.  trans-73.4139.8176.9-169.5159.5150.200111.7Y84 E85E61-Y84 CarbonylContact O-C 3.52Å; E61-Y84 VanDerWaalsContact O-CA 3.31Å; E61-Y84 WeakPolarHBondContact O-CA 3.25Å; E61-Y84 WeakPolarHBondContact O-CD1 3.35Å; E61-E85 PolarHBondContact O-N 3.41Å
62I95.4Very high93.4Very high31 Ų3172.3 Ų72.316%0.15937%0.367CS..EExtended strand (participates in β ladder)trans-105.8104.9-171.6-60.6165.9000109I53 F56 L82 Y84I53-I62 HydrophobicContact CB-CD1 4.34Å; I53-I62 HydrophobicContact CG1-CD1 4.37Å; I53-I62 HydrophobicContact CG2-CD1 4.22Å; F56-I62 HydrophobicContact CB-CD1 4.02Å; I62-L82 HydrophobicContact CD1-CD1 3.92Å; I62-L82 HydrophobicContact CG1-CD1 4.24Å; I62-L82 HydrophobicContact CG1-CD2 4.27Å; I62-L82 HydrophobicContact CG1-CG 4.48Å; I62-L82 HydrophobicContact CG2-CD1 4.09Å; I62-L82 HydrophobicContact CG2-CD2 4.21Å; I62-L82 HydrophobicContact CG2-CG 3.81Å; I62-Y84 HydrophobicContact CG1-CD1 3.99Å; I62-Y84 HydrophobicContact CG1-CE1 3.83Å
63V93.8Very high93.2Very high84 Ų8476.3 Ų76.351%0.50939%0.392SS..EExtended strand (participates in β ladder)trans-78.7-35.6-176.3-174.20000111.9C83 E85V63-C83 PolarHBondContact N-O 3.1Å; V63-E85 HydrophobicContact CG2-CB 3.76Å; V63-E85 HydrophobicContact CG2-CG 4.35Å
64N92Very high92.8Very high86 Ų8675 Ų7546%0.4640%0.395SS..EExtended strand (participates in β ladder)trans-144144.2179.1-76.8-84.3000112.3W37 C83W37-N64 HydrophobicContact CH2-CB 3.76Å; W37-N64 HydrophobicContact CZ2-CB 4.4Å; W37-N64 HydrophobicContact CZ3-CB 4.41Å; N64-C83 HydrophobicContact CB-CB 3.92Å; N64-C83 PolarHBondContact N-O 3.32Å; N64-C83 PolarHBondContact O-N 2.9Å
65I93.4Very high92.5Very high50 Ų5077.3 Ų77.326%0.25639%0.394SS..EExtended strand (participates in β ladder)trans-133.7141.3172.4-169168.7000111E49 I52 I53 C80E49-I65 HydrophobicContact CB-CD1 4.26Å; E49-I65 HydrophobicContact CB-CG2 4.49Å; I52-I65 HydrophobicContact CB-CD1 3.74Å; I52-I65 HydrophobicContact CD1-CD1 4.2Å; I52-I65 HydrophobicContact CG2-CD1 3.68Å; I53-I65 HydrophobicContact CD1-CG2 4.23Å; I53-I65 HydrophobicContact CG1-CD1 4.02Å; I65-C80 WeakPolarHBondContact CG1-SG 3.07Å
66N92.8Very high92.5Very high43 Ų4375.4 Ų75.423%0.2338%0.382CS..EExtended strand (participates in β ladder)trans-138.793.4172.3177.614.6000111.2V68 C80 F81 Y115 P118N66-V68 PolarHBondContact O-N 3.04Å; N66-C80 WeakPolarHBondContact O-CA 3.39Å; N66-C80 PolarHBondContact O-SG 3.33Å; N66-F81 PolarHBondContact N-O 3.33Å; N66-F81 PolarHBondContact O-N 3.03Å; N66-Y115 PolarHBondContact ND2-OH 2.89Å; N66-P118 WeakPolarHBondContact ND2-CD 3.37Å
67L92.8Very high92.3Very high10 Ų1079.7 Ų79.75%0.05240%0.401CS..EExtended strand (participates in β ladder)trans-79.3110.6171.9179.155.8000109.6L43 L47 E49 I52 R69 C80L43-L67 HydrophobicContact CD1-CD1 4.3Å; L47-L67 WeakPolarHBondContact O-CD2 3.47Å; E49-L67 HydrophobicContact CG-CB 3.76Å; E49-L67 HydrophobicContact CG-CD2 4.17Å; E49-L67 WeakPolarHBondContact OE1-CB 3.36Å; E49-L67 WeakPolarHBondContact OE1-CD2 3.15Å; I52-L67 HydrophobicContact CD1-CB 4.47Å; I52-L67 HydrophobicContact CD1-CD1 4Å; I52-L67 HydrophobicContact CD1-CD2 4.16Å; I52-L67 HydrophobicContact CD1-CG 4.45Å; L67-R69 PolarHBondContact O-N 2.87Å; L67-C80 VanDerWaalsContact CA-SG 3.56Å; L67-C80 HydrophobicContact CB-CB 4.49Å; L67-C80 HydrophobicContact CD1-CB 3.94Å; L67-C80 PolarHBondContact N-SG 3.42Å; L67-C80 VanDerWaalsContact N-SG 3.44Å
68V91.8Very high92.2Very high27 Ų2777 Ų7716%0.16438%0.383CS..EExtended strand (participates in β ladder)trans-78.194.4-168.8-172.20000110.8N66 K77 F79 F81N66-V68 PolarHBondContact O-N 3.04Å; V68-K77 HydrophobicContact CG1-CD 4.07Å; V68-K77 WeakPolarHBondContact O-CB 3.18Å; V68-K77 WeakPolarHBondContact O-CG 3.27Å; V68-K77 PolarHBondContact O-N 3.35Å; V68-F79 HydrophobicContact CB-CD2 3.98Å; V68-F79 HydrophobicContact CB-CE2 3.54Å; V68-F79 HydrophobicContact CB-CZ 3.91Å; V68-F79 HydrophobicContact CG1-CE2 3.86Å; V68-F79 HydrophobicContact CG1-CZ 3.86Å; V68-F79 HydrophobicContact CG2-CD2 3.9Å; V68-F79 HydrophobicContact CG2-CE2 3.56Å; V68-F79 HydrophobicContact CG2-CZ 4.39Å; V68-F79 PolarHBondContact N-O 2.86Å; V68-F79 VanDerWaalsContact N-O 3.1Å; V68-F81 HydrophobicContact CG2-CD2 4.06Å; V68-F81 HydrophobicContact CG2-CE2 4.15Å
69R92.4Very high92.1Very high110 Ų11074.6 Ų74.642%0.41537%0.371SS..EExtended strand (participates in β ladder)trans-77.4163.9174.4-65.5166.6179-118.711.3112.4E49 L67 G74 K75 K77E49-R69 IonicContact OE1-CZ 3.24Å; E49-R69 VanDerWaalsContact OE1-CZ 3.24Å; E49-R69 IonicContact OE1-NE 3.22Å; E49-R69 PolarHBondContact OE1-NE 3.35Å; E49-R69 IonicContact OE1-NH2 2.93Å; E49-R69 PolarHBondContact OE1-NH2 3.44Å; E49-R69 IonicContact OE2-CZ 3.74Å; E49-R69 IonicContact OE2-NE 3.61Å; E49-R69 IonicContact OE2-NH2 2.69Å; E49-R69 PolarHBondContact OE2-NH2 2.81Å; L67-R69 PolarHBondContact O-N 2.87Å; R69-G74 WeakPolarHBondContact CG-O 3.42Å; R69-G74 PolarHBondContact NH1-O 3.21Å; R69-K75 CarbonylContact C-O 3.58Å; R69-K75 WeakPolarHBondContact CA-O 3.36Å; R69-K77 WeakPolarHBondContact O-CE 3.47Å; R69-K77 PolarHBondContact O-NZ 2.85Å
70D91.4Very high92.1Very high53 Ų5371.6 Ų71.628%0.28336%0.359SS..  trans-89.1122.1170.1171.652.1000111.8K72 T73 G74 K75D70-K72 PolarHBondContact O-N 3.26Å; D70-K72 PolarHBondContact OD2-N 3.2Å; D70-T73 PolarHBondContact O-N 2.7Å; D70-T73 PolarHBondContact OD2-N 2.81Å; D70-T73 VanDerWaalsContact OD2-N 3.15Å; D70-T73 PolarHBondContact OD2-OG1 3.07Å; D70-G74 PolarHBondContact O-N 3.32Å; D70-K75 PolarHBondContact N-O 3.14Å
71K88.4Confident92.2Very high200 Ų20072 Ų7287%0.8736%0.355SS*.THydrogen-bonded Turntrans-62.2-1.5-175.5-65.2-154.7174.3-150.90115.2
72K90.3Very high92.2Very high193 Ų19365.1 Ų65.184%0.83932%0.323SS*.THydrogen-bonded Turntrans-114.7-24.2177.9-65.6-174.5176.4-171.60114.8D70D70-K72 PolarHBondContact O-N 3.26Å; D70-K72 PolarHBondContact OD2-N 3.2Å
73T90Very high92.1Very high86 Ų8664.3 Ų64.353%0.52832%0.32SS..THydrogen-bonded Turntrans-122.4-7.2-173.258.30000112.9D70 K75D70-T73 PolarHBondContact O-N 2.7Å; D70-T73 PolarHBondContact OD2-N 2.81Å; D70-T73 VanDerWaalsContact OD2-N 3.15Å; D70-T73 PolarHBondContact OD2-OG1 3.07Å; T73-K75 WeakPolarHBondContact O-CG 3.3Å; T73-K75 PolarHBondContact O-N 3.25Å
74G86.5Confident92.3Very high40 Ų4060.4 Ų60.441%0.41230%0.296SS..  trans70.5-12.8-17700000114.6R69 D70R69-G74 WeakPolarHBondContact CG-O 3.42Å; R69-G74 PolarHBondContact NH1-O 3.21Å; D70-G74 PolarHBondContact O-N 3.32Å
75K89.8Confident92.4Very high152 Ų15263.2 Ų63.266%0.66131%0.306SS*.  trans-72.1135.7-173.8-58.7-166.6178.3-166.20111.6R69 D70 T73R69-K75 CarbonylContact C-O 3.58Å; R69-K75 WeakPolarHBondContact CA-O 3.36Å; D70-K75 PolarHBondContact N-O 3.14Å; T73-K75 WeakPolarHBondContact O-CG 3.3Å; T73-K75 PolarHBondContact O-N 3.25Å
76S92.6Very high92.5Very high11 Ų1164 Ų648%0.07731%0.311CS..EExtended strand (participates in β ladder)trans-54.9140.4171.3-51.30000110.7Y45 G78Y45-S76 VanDerWaalsContact CD1-O 3.27Å; Y45-S76 WeakPolarHBondContact CD1-O 3.42Å; S76-G78 VanDerWaalsContact C-N 3.27Å; S76-G78 PolarHBondContact O-N 3.18Å
77K91.4Very high92.5Very high90 Ų9063.7 Ų63.739%0.39131%0.308SS..EExtended strand (participates in β ladder)trans-84.42175.6-66.5174.4-176.5128.20113.8V68 R69 F79V68-K77 HydrophobicContact CG1-CD 4.07Å; V68-K77 WeakPolarHBondContact O-CB 3.18Å; V68-K77 WeakPolarHBondContact O-CG 3.27Å; V68-K77 PolarHBondContact O-N 3.35Å; R69-K77 WeakPolarHBondContact O-CE 3.47Å; R69-K77 PolarHBondContact O-NZ 2.85Å; K77-F79 VanDerWaalsContact C-N 3.35Å; K77-F79 HydrophobicContact CB-CD1 3.67Å; K77-F79 HydrophobicContact CB-CE1 3.43Å; K77-F79 VanDerWaalsContact CB-CE1 3.43Å; K77-F79 HydrophobicContact CB-CZ 4.31Å; K77-F79 HydrophobicContact CD-CE1 3.77Å; K77-F79 HydrophobicContact CD-CZ 3.99Å; K77-F79 HydrophobicContact CG-CE1 4.26Å
78G91.8Very high92.6Very high5 Ų570.6 Ų70.65%0.05233%0.334CS..EExtended strand (participates in β ladder)trans75.223.8-175.200000113.3G42 L43 S76G42-G78 PolarHBondContact N-O 3.26Å; L43-G78 PolarHBondContact N-O 3.31Å; L43-G78 WeakPolarHBondContact O-CA 3.19Å; S76-G78 VanDerWaalsContact C-N 3.27Å; S76-G78 PolarHBondContact O-N 3.18Å
79F93.6Very high92.8Very high66 Ų6670 Ų7029%0.28933%0.33SS..EExtended strand (participates in β ladder)trans-145.2146.7168.267.4-90.5000111.8F39 L40 V68 K77 F81F39-F79 HydrophobicContact CE2-CB 3.77Å; F39-F79 HydrophobicContact CE2-CD2 4.08Å; F39-F79 HydrophobicContact CE2-CG 4.2Å; F39-F79 HydrophobicContact CZ-CB 4.07Å; L40-F79 CarbonylContact O-C 3.54Å; L40-F79 WeakPolarHBondContact O-CA 3.44Å; L40-F79 VanDerWaalsContact O-CB 3.3Å; L40-F79 WeakPolarHBondContact O-CB 3.33Å; V68-F79 HydrophobicContact CB-CD2 3.98Å; V68-F79 HydrophobicContact CB-CE2 3.54Å; V68-F79 HydrophobicContact CB-CZ 3.91Å; V68-F79 HydrophobicContact CG1-CE2 3.86Å; V68-F79 HydrophobicContact CG1-CZ 3.86Å; V68-F79 HydrophobicContact CG2-CD2 3.9Å; V68-F79 HydrophobicContact CG2-CE2 3.56Å; V68-F79 HydrophobicContact CG2-CZ 4.39Å; V68-F79 PolarHBondContact N-O 2.86Å; V68-F79 VanDerWaalsContact N-O 3.1Å; K77-F79 VanDerWaalsContact C-N 3.35Å; K77-F79 HydrophobicContact CB-CD1 3.67Å; K77-F79 HydrophobicContact CB-CE1 3.43Å; K77-F79 VanDerWaalsContact CB-CE1 3.43Å; K77-F79 HydrophobicContact CB-CZ 4.31Å; K77-F79 HydrophobicContact CD-CE1 3.77Å; K77-F79 HydrophobicContact CD-CZ 3.99Å; K77-F79 HydrophobicContact CG-CE1 4.26Å; F79-F81 HydrophobicContact CD2-CE2 4.01Å; F79-F81 HydrophobicContact CE2-CE2 4.07Å
80C94.7Very high93Very high0 Ų064.7 Ų64.70%031%0.311CS..EExtended strand (participates in β ladder)trans-136.5155.8-176.1-168.80000109.3L40 L43 I52 I65 N66 L67L40-C80 HydrophobicContact CB-CB 4.08Å; L40-C80 HydrophobicContact CD1-CB 4.26Å; L40-C80 PolarHBondContact N-O 3.47Å; L40-C80 PolarHBondContact O-N 2.88Å; L43-C80 HydrophobicContact CD1-CB 3.7Å; I52-C80 HydrophobicContact CD1-CB 3.89Å; I65-C80 WeakPolarHBondContact CG1-SG 3.07Å; N66-C80 WeakPolarHBondContact O-CA 3.39Å; N66-C80 PolarHBondContact O-SG 3.33Å; L67-C80 VanDerWaalsContact CA-SG 3.56Å; L67-C80 HydrophobicContact CB-CB 4.49Å; L67-C80 HydrophobicContact CD1-CB 3.94Å; L67-C80 PolarHBondContact N-SG 3.42Å; L67-C80 VanDerWaalsContact N-SG 3.44Å
81F95.3Very high93.1Very high30 Ų3063.9 Ų63.913%0.13231%0.307CS..EExtended strand (participates in β ladder)trans-114.7143.7162.9-63-92.7000108.3W37 I38 F39 N66 V68 F79 V112 Y115W37-F81 HydrophobicContact CE3-CB 4.23Å; W37-F81 HydrophobicContact CZ3-CB 4.26Å; I38-F81 WeakPolarHBondContact O-CA 3.39Å; F39-F81 HydrophobicContact CB-CD1 4.26Å; F39-F81 HydrophobicContact CB-CE1 4.07Å; F39-F81 HydrophobicContact CD2-CD1 4.32Å; F39-F81 AromaticContact CD2-CE1 3.71Å; F39-F81 HydrophobicContact CD2-CE1 3.71Å; F39-F81 HydrophobicContact CD2-CE2 4.43Å; F39-F81 AromaticContact CD2-CZ 3.77Å; F39-F81 HydrophobicContact CD2-CZ 3.77Å; F39-F81 HydrophobicContact CE2-CZ 4.39Å; F39-F81 HydrophobicContact CG-CE1 4.38Å; N66-F81 PolarHBondContact N-O 3.33Å; N66-F81 PolarHBondContact O-N 3.03Å; V68-F81 HydrophobicContact CG2-CD2 4.06Å; V68-F81 HydrophobicContact CG2-CE2 4.15Å; F79-F81 HydrophobicContact CD2-CE2 4.01Å; F79-F81 HydrophobicContact CE2-CE2 4.07Å; F81-V112 HydrophobicContact CD1-CG2 4.32Å; F81-V112 HydrophobicContact CE1-CG2 4.27Å; F81-Y115 HydrophobicContact CB-CD1 4.1Å; F81-Y115 HydrophobicContact CB-CD2 4.35Å; F81-Y115 HydrophobicContact CB-CE1 3.6Å; F81-Y115 HydrophobicContact CB-CE2 3.92Å; F81-Y115 HydrophobicContact CB-CG 4.42Å; F81-Y115 VanDerWaalsContact CB-CZ 3.5Å; F81-Y115 HydrophobicContact CD1-CD1 4.47Å; F81-Y115 AromaticContact CD1-CD2 3.34Å; F81-Y115 HydrophobicContact CD1-CD2 3.34Å; F81-Y115 HydrophobicContact CD1-CE1 4.41Å; F81-Y115 AromaticContact CD1-CE2 3.3Å; F81-Y115 HydrophobicContact CD1-CE2 3.3Å; F81-Y115 AromaticContact CD1-CG 3.95Å; F81-Y115 HydrophobicContact CD1-CG 3.95Å; F81-Y115 AromaticContact CD1-CZ 3.85Å; F81-Y115 HydrophobicContact CD2-CD2 4.31Å; F81-Y115 HydrophobicContact CD2-CE1 4.41Å; F81-Y115 AromaticContact CD2-CE2 3.4Å; F81-Y115 HydrophobicContact CD2-CE2 3.4Å; F81-Y115 AromaticContact CD2-CZ 3.44Å; F81-Y115 VanDerWaalsContact CD2-CZ 3.44Å; F81-Y115 WeakPolarHBondContact CD2-OH 3.29Å; F81-Y115 AromaticContact CE1-CD2 3.54Å; F81-Y115 HydrophobicContact CE1-CD2 3.54Å; F81-Y115 AromaticContact CE1-CE2 3.49Å; F81-Y115 HydrophobicContact CE1-CE2 3.49Å; F81-Y115 VanDerWaalsContact CE1-CE2 3.49Å; F81-Y115 HydrophobicContact CE2-CD2 4.47Å; F81-Y115 AromaticContact CE2-CE2 3.59Å; F81-Y115 HydrophobicContact CE2-CE2 3.59Å; F81-Y115 HydrophobicContact CG-CD1 4.38Å; F81-Y115 AromaticContact CG-CD2 3.75Å; F81-Y115 HydrophobicContact CG-CD2 3.75Å; F81-Y115 AromaticContact CG-CE1 3.91Å; F81-Y115 HydrophobicContact CG-CE1 3.91Å; F81-Y115 AromaticContact CG-CE2 3.23Å; F81-Y115 HydrophobicContact CG-CE2 3.23Å; F81-Y115 HydrophobicContact CG-CG 4.29Å; F81-Y115 AromaticContact CG-CZ 3.3Å; F81-Y115 HydrophobicContact CZ-CD2 4.11Å; F81-Y115 AromaticContact CZ-CE2 3.63Å; F81-Y115 HydrophobicContact CZ-CE2 3.63Å
82L95.5Very high93.4Very high0 Ų058.1 Ų58.10%029%0.286CS..EExtended strand (participates in β ladder)trans-139.1134.6-175.5-179.7155.6000108.4W37 I38 L40 I52 F56 I62 Y84W37-L82 WeakPolarHBondContact CA-O 3.22Å; I38-L82 HydrophobicContact CD1-CD2 4.12Å; I38-L82 HydrophobicContact CG1-CB 3.99Å; I38-L82 HydrophobicContact CG1-CD2 4.04Å; I38-L82 PolarHBondContact N-O 3.48Å; I38-L82 PolarHBondContact O-N 3.47Å; I38-L82 VanDerWaalsContact O-N 3.07Å; L40-L82 HydrophobicContact CD1-CB 4.44Å; L40-L82 HydrophobicContact CD1-CD1 4.31Å; I52-L82 HydrophobicContact CG2-CD1 4.08Å; F56-L82 HydrophobicContact CB-CD1 3.79Å; F56-L82 HydrophobicContact CG-CD1 4.15Å; I62-L82 HydrophobicContact CD1-CD1 3.92Å; I62-L82 HydrophobicContact CG1-CD1 4.24Å; I62-L82 HydrophobicContact CG1-CD2 4.27Å; I62-L82 HydrophobicContact CG1-CG 4.48Å; I62-L82 HydrophobicContact CG2-CD1 4.09Å; I62-L82 HydrophobicContact CG2-CD2 4.21Å; I62-L82 HydrophobicContact CG2-CG 3.81Å; L82-Y84 HydrophobicContact CD2-CD1 4.13Å; L82-Y84 HydrophobicContact CD2-CD2 3.64Å; L82-Y84 HydrophobicContact CD2-CE1 4.02Å; L82-Y84 HydrophobicContact CD2-CE2 3.54Å; L82-Y84 HydrophobicContact CD2-CG 3.95Å
83C94.6Very high93.7Very high15 Ų1549 Ų4910%0.10125%0.246CC..EExtended strand (participates in β ladder)trans-110.8122.4173.2-164.10000108.7A36 W37 V63 N64A36-C83 WeakPolarHBondContact O-CA 3.25Å; W37-C83 HydrophobicContact CD2-CB 3.7Å; W37-C83 HydrophobicContact CE3-CB 3.72Å; W37-C83 HydrophobicContact CG-CB 4.42Å; W37-C83 HydrophobicContact CH2-CB 3.79Å; W37-C83 HydrophobicContact CZ2-CB 3.75Å; W37-C83 HydrophobicContact CZ3-CB 3.77Å; V63-C83 PolarHBondContact N-O 3.1Å; N64-C83 HydrophobicContact CB-CB 3.92Å; N64-C83 PolarHBondContact N-O 3.32Å; N64-C83 PolarHBondContact O-N 2.9Å
84Y96.5Very high94Very high2 Ų244.9 Ų44.91%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-81.1171.4165.5-71.7-75.6000110.8A36 I38 F56 E61 I62 L82 S89 T90 A93A36-Y84 PolarHBondContact O-N 3.43Å; A36-Y84 VanDerWaalsContact O-N 3.09Å; I38-Y84 HydrophobicContact CD1-CE2 3.81Å; I38-Y84 HydrophobicContact CG1-CE2 4.45Å; F56-Y84 PolarHBondContact O-OH 3.34Å; E61-Y84 CarbonylContact O-C 3.52Å; E61-Y84 VanDerWaalsContact O-CA 3.31Å; E61-Y84 WeakPolarHBondContact O-CA 3.25Å; E61-Y84 WeakPolarHBondContact O-CD1 3.35Å; I62-Y84 HydrophobicContact CG1-CD1 3.99Å; I62-Y84 HydrophobicContact CG1-CE1 3.83Å; L82-Y84 HydrophobicContact CD2-CD1 4.13Å; L82-Y84 HydrophobicContact CD2-CD2 3.64Å; L82-Y84 HydrophobicContact CD2-CE1 4.02Å; L82-Y84 HydrophobicContact CD2-CE2 3.54Å; L82-Y84 HydrophobicContact CD2-CG 3.95Å; Y84-S89 WeakPolarHBondContact CE2-O 3.43Å; Y84-S89 VanDerWaalsContact CG-CB 3.48Å; Y84-T90 HydrophobicContact CD2-CG2 3.96Å; Y84-A93 HydrophobicContact CE2-CB 3.62Å; Y84-A93 VanDerWaalsContact OH-CB 3.31Å; Y84-A93 WeakPolarHBondContact OH-CB 3.11Å
85E95.2Very high94.3Very high144 Ų14445.4 Ų45.467%0.67321%0.214SC*.SBendtrans-72.3-54.1166.6-171.6-172.9-162.300111.5E61 V63E61-E85 PolarHBondContact O-N 3.41Å; V63-E85 HydrophobicContact CG2-CB 3.76Å; V63-E85 HydrophobicContact CG2-CG 4.35Å
86D94.7Very high94.6Very high68 Ų6841.9 Ų41.936%0.36420%0.202SC..SBendtrans-97.2145.2178.3-174.920.4000112.3R88 S89D86-R88 VanDerWaalsContact C-N 3.29Å; D86-R88 PolarHBondContact O-N 3.41Å; D86-R88 PolarHBondContact OD1-N 3.25Å; D86-R88 VanDerWaalsContact OD2-CB 3.29Å; D86-R88 WeakPolarHBondContact OD2-CB 3.44Å; D86-R88 WeakPolarHBondContact OD2-CG 3.47Å; D86-S89 WeakPolarHBondContact O-CB 3.31Å; D86-S89 PolarHBondContact O-N 2.91Å
87Q93.9Very high94.7Very high35 Ų3541.6 Ų41.616%0.16420%0.2CC..Hα-helixtrans-59.7-37.8172-17163.735.600111.9Y32 K33 S35 S89 T90 V91Y32-Q87 PolarHBondContact O-NE2 3.5Å; K33-Q87 PolarHBondContact O-OE1 3.17Å; S35-Q87 PolarHBondContact O-NE2 3.38Å; S35-Q87 VanDerWaalsContact O-NE2 3.1Å; S35-Q87 PolarHBondContact O-OE1 3.15Å; Q87-S89 PolarHBondContact O-N 2.75Å; Q87-T90 PolarHBondContact NE2-OG1 2.96Å; Q87-T90 WeakPolarHBondContact O-CB 3.16Å; Q87-T90 PolarHBondContact O-N 2.79Å; Q87-T90 PolarHBondContact O-OG1 3.47Å; Q87-V91 PolarHBondContact O-N 3.36Å
88R94.4Very high94.8Very high156 Ų15637.5 Ų37.559%0.58918%0.182SC*.Hα-helixtrans-63.3-32.3-177.3-59.9-177.3172.5115.2-7.2112.5D86 T90 V91 L92D86-R88 VanDerWaalsContact C-N 3.29Å; D86-R88 PolarHBondContact O-N 3.41Å; D86-R88 PolarHBondContact OD1-N 3.25Å; D86-R88 VanDerWaalsContact OD2-CB 3.29Å; D86-R88 WeakPolarHBondContact OD2-CB 3.44Å; D86-R88 WeakPolarHBondContact OD2-CG 3.47Å; R88-T90 VanDerWaalsContact C-N 3.25Å; R88-T90 PolarHBondContact O-N 3.02Å; R88-V91 WeakPolarHBondContact O-CB 3.48Å; R88-V91 PolarHBondContact O-N 2.78Å; R88-V91 VanDerWaalsContact O-N 3.07Å; R88-L92 PolarHBondContact O-N 2.96Å
89S96.2Very high94.8Very high13 Ų1338.4 Ų38.49%0.09119%0.191CC..Hα-helixtrans-60.1-33.9173.1-57.80000112.5Y59 G60 Y84 D86 Q87 A93Y59-S89 WeakPolarHBondContact O-CB 3.31Å; Y59-S89 PolarHBondContact O-OG 3.32Å; G60-S89 WeakPolarHBondContact CA-OG 3.49Å; Y84-S89 WeakPolarHBondContact CE2-O 3.43Å; Y84-S89 VanDerWaalsContact CG-CB 3.48Å; D86-S89 WeakPolarHBondContact O-CB 3.31Å; D86-S89 PolarHBondContact O-N 2.91Å; Q87-S89 PolarHBondContact O-N 2.75Å; S89-A93 WeakPolarHBondContact O-CB 3.45Å; S89-A93 PolarHBondContact O-N 2.63Å
90T95.4Very high94.8Very high0 Ų038.8 Ų38.80%020%0.196CC..Hα-helixtrans-64.4-39.4172.870.50000112.3A36 I38 Y84 Q87 R88 A93 V94 H111A36-T90 HydrophobicContact CB-CG2 4.31Å; A36-T90 VanDerWaalsContact O-CG2 3.24Å; A36-T90 WeakPolarHBondContact O-CG2 3.24Å; I38-T90 HydrophobicContact CG2-CG2 3.97Å; Y84-T90 HydrophobicContact CD2-CG2 3.96Å; Q87-T90 PolarHBondContact NE2-OG1 2.96Å; Q87-T90 WeakPolarHBondContact O-CB 3.16Å; Q87-T90 PolarHBondContact O-N 2.79Å; Q87-T90 PolarHBondContact O-OG1 3.47Å; R88-T90 VanDerWaalsContact C-N 3.25Å; R88-T90 PolarHBondContact O-N 3.02Å; T90-A93 PolarHBondContact O-N 3.05Å; T90-V94 WeakPolarHBondContact O-CB 3.43Å; T90-V94 WeakPolarHBondContact O-CG2 3.36Å; T90-V94 PolarHBondContact O-N 3.35Å; T90-H111 VanDerWaalsContact CA-CE1 3.44Å; T90-H111 WeakPolarHBondContact CA-CE1 3.14Å; T90-H111 WeakPolarHBondContact CB-CE1 3.38Å; T90-H111 PolarHBondContact O-CE1 2.96Å; T90-H111 PolarHBondContact OG1-CE1 2.92Å
91V95Very high94.8Very high35 Ų3546.2 Ų46.221%0.21223%0.228CC..Hα-helixtrans-67-55.4-178.21780000109.1H29 Q87 R88 A93 V94 D95 H111H29-V91 HydrophobicContact CB-CG1 4.44Å; H29-V91 HydrophobicContact CB-CG2 3.98Å; H29-V91 VanDerWaalsContact CD2-CG1 3.49Å; H29-V91 WeakPolarHBondContact CD2-CG1 3.05Å; Q87-V91 PolarHBondContact O-N 3.36Å; R88-V91 WeakPolarHBondContact O-CB 3.48Å; R88-V91 PolarHBondContact O-N 2.78Å; R88-V91 VanDerWaalsContact O-N 3.07Å; V91-A93 PolarHBondContact O-N 3.07Å; V91-V94 PolarHBondContact O-N 2.99Å; V91-D95 WeakPolarHBondContact CG1-OD2 3.44Å; V91-D95 PolarHBondContact O-N 2.98Å; V91-H111 WeakPolarHBondContact CA-CE1 3.43Å; V91-H111 WeakPolarHBondContact CG2-CE1 3.34Å; V91-H111 PolarHBondContact N-CE1 3.33Å
92L95.1Very high94.6Very high80 Ų8046 Ų4642%0.41923%0.228SC..Hα-helixtrans-53.9-39.9175.2-64.8174.8000112.2Y59 R88 N96Y59-L92 HydrophobicContact CD1-CB 4.18Å; Y59-L92 HydrophobicContact CD2-CB 4.47Å; Y59-L92 HydrophobicContact CG-CB 3.98Å; R88-L92 PolarHBondContact O-N 2.96Å; L92-N96 WeakPolarHBondContact O-CB 3.37Å; L92-N96 PolarHBondContact O-N 3.07Å; L92-N96 VanDerWaalsContact O-N 3.12Å; L92-N96 PolarHBondContact O-ND2 2.74Å
93A95.7Very high94.3Very high0 Ų052.9 Ų52.90%026%0.258CS..Hα-helixtrans-69.9-41176.900000113.5I38 Y59 Y84 S89 T90 V91 F97I38-A93 HydrophobicContact CD1-CB 4.02Å; Y59-A93 HydrophobicContact CD2-CB 4.3Å; Y84-A93 HydrophobicContact CE2-CB 3.62Å; Y84-A93 VanDerWaalsContact OH-CB 3.31Å; Y84-A93 WeakPolarHBondContact OH-CB 3.11Å; S89-A93 WeakPolarHBondContact O-CB 3.45Å; S89-A93 PolarHBondContact O-N 2.63Å; T90-A93 PolarHBondContact O-N 3.05Å; V91-A93 PolarHBondContact O-N 3.07Å; A93-F97 HydrophobicContact CB-CD2 3.99Å; A93-F97 HydrophobicContact CB-CE2 4.42Å; A93-F97 VanDerWaalsContact O-CB 3.25Å; A93-F97 WeakPolarHBondContact O-CB 3.44Å; A93-F97 PolarHBondContact O-N 3.14Å
94V95.4Very high94.1Very high0 Ų055.8 Ų55.80%029%0.291CS..Hα-helixtrans-61.6-47.2174.7163.20000110.4I10 W28 I38 T90 V91 N98 V109I10-V94 HydrophobicContact CG2-CG1 4.32Å; W28-V94 HydrophobicContact CH2-CG1 3.81Å; W28-V94 HydrophobicContact CZ2-CG1 3.77Å; I38-V94 HydrophobicContact CG2-CG2 4.08Å; T90-V94 WeakPolarHBondContact O-CB 3.43Å; T90-V94 WeakPolarHBondContact O-CG2 3.36Å; T90-V94 PolarHBondContact O-N 3.35Å; V91-V94 PolarHBondContact O-N 2.99Å; V94-N98 WeakPolarHBondContact O-CB 3.36Å; V94-N98 PolarHBondContact O-N 2.93Å; V94-V109 HydrophobicContact CB-CG1 4.43Å; V94-V109 HydrophobicContact CG2-CG1 3.81Å
95D94.3Very high93.8Very high51 Ų5160.2 Ų60.227%0.27331%0.307SS..Hα-helixtrans-70.5-41.3-171.6-59.6-19.9000112.7N14 H29 V91N14-D95 PolarHBondContact ND2-OD1 3.18Å; H29-D95 IonicContact CE1-OD1 2.65Å; H29-D95 PolarHBondContact CE1-OD1 3.09Å; H29-D95 IonicContact NE2-OD1 2.8Å; H29-D95 PolarHBondContact NE2-OD1 2.84Å; H29-D95 IonicContact NE2-OD2 3.09Å; V91-D95 WeakPolarHBondContact CG1-OD2 3.44Å; V91-D95 PolarHBondContact O-N 2.98Å
96N94.4Very high93.8Very high78 Ų7855.2 Ų55.242%0.41729%0.287SS..Hα-helixtrans-93.2-34.6-173.3-65.6-86.7000113.5Y59 L92 I100Y59-N96 HydrophobicContact CE2-CB 3.66Å; Y59-N96 WeakPolarHBondContact OH-CB 3.47Å; L92-N96 WeakPolarHBondContact O-CB 3.37Å; L92-N96 PolarHBondContact O-N 3.07Å; L92-N96 VanDerWaalsContact O-N 3.12Å; L92-N96 PolarHBondContact O-ND2 2.74Å; N96-I100 VanDerWaalsContact O-CD1 3.24Å; N96-I100 WeakPolarHBondContact O-CD1 3.39Å
97F94.7Very high93.8Very high5 Ų552 Ų522%0.02227%0.27CS..Hα-helixtrans-87.1-19.3-179.1-70.2-62.7000114.1V55 F56 Q58 Y59 A93 G99 I100 I107 V109V55-F97 HydrophobicContact CG1-CD1 4.38Å; V55-F97 HydrophobicContact CG1-CE1 3.6Å; V55-F97 HydrophobicContact CG1-CZ 3.93Å; V55-F97 VanDerWaalsContact O-CZ 3.28Å; V55-F97 WeakPolarHBondContact O-CZ 3.43Å; F56-F97 HydrophobicContact CB-CE2 4.37Å; F56-F97 AromaticContact CD1-CD2 3.45Å; F56-F97 HydrophobicContact CD1-CD2 3.45Å; F56-F97 VanDerWaalsContact CD1-CD2 3.45Å; F56-F97 AromaticContact CD1-CE2 3.43Å; F56-F97 HydrophobicContact CD1-CE2 3.43Å; F56-F97 VanDerWaalsContact CD1-CE2 3.43Å; F56-F97 HydrophobicContact CD1-CG 4.23Å; F56-F97 HydrophobicContact CD1-CZ 4.24Å; F56-F97 HydrophobicContact CE1-CB 3.9Å; F56-F97 HydrophobicContact CE1-CD1 4.37Å; F56-F97 AromaticContact CE1-CD2 3.24Å; F56-F97 HydrophobicContact CE1-CD2 3.24Å; F56-F97 AromaticContact CE1-CE2 3.72Å; F56-F97 HydrophobicContact CE1-CE2 3.72Å; F56-F97 AromaticContact CE1-CG 3.62Å; F56-F97 HydrophobicContact CE1-CG 3.62Å; F56-F97 HydrophobicContact CE1-CZ 4.47Å; F56-F97 HydrophobicContact CG-CD2 4.35Å; F56-F97 AromaticContact CG-CE2 3.96Å; F56-F97 HydrophobicContact CG-CE2 3.96Å; F56-F97 HydrophobicContact CG-CZ 4.38Å; F56-F97 HydrophobicContact CZ-CB 4.15Å; F56-F97 HydrophobicContact CZ-CD1 4.37Å; F56-F97 HydrophobicContact CZ-CD2 4.02Å; F56-F97 HydrophobicContact CZ-CE2 4.45Å; F56-F97 AromaticContact CZ-CG 3.97Å; F56-F97 HydrophobicContact CZ-CG 3.97Å; Q58-F97 HydrophobicContact CG-CE2 4.38Å; Q58-F97 HydrophobicContact CG-CZ 3.76Å; Y59-F97 AromaticContact CD2-CD2 3.86Å; Y59-F97 HydrophobicContact CD2-CD2 3.86Å; Y59-F97 AromaticContact CD2-CE2 3.34Å; Y59-F97 HydrophobicContact CD2-CE2 3.34Å; Y59-F97 AromaticContact CD2-CZ 3.99Å; Y59-F97 HydrophobicContact CD2-CZ 3.99Å; Y59-F97 AromaticContact CE2-CD2 3.76Å; Y59-F97 HydrophobicContact CE2-CD2 3.76Å; Y59-F97 HydrophobicContact CE2-CE1 4.38Å; Y59-F97 AromaticContact CE2-CE2 3.42Å; Y59-F97 HydrophobicContact CE2-CE2 3.42Å; Y59-F97 VanDerWaalsContact CE2-CE2 3.42Å; Y59-F97 HydrophobicContact CE2-CG 4.4Å; Y59-F97 AromaticContact CE2-CZ 3.76Å; Y59-F97 HydrophobicContact CE2-CZ 3.76Å; A93-F97 HydrophobicContact CB-CD2 3.99Å; A93-F97 HydrophobicContact CB-CE2 4.42Å; A93-F97 VanDerWaalsContact O-CB 3.25Å; A93-F97 WeakPolarHBondContact O-CB 3.44Å; A93-F97 PolarHBondContact O-N 3.14Å; F97-G99 PolarHBondContact O-N 2.72Å; F97-I100 HydrophobicContact CD1-CD1 4.05Å; F97-I100 PolarHBondContact O-N 2.88Å; F97-I100 VanDerWaalsContact O-N 3.14Å; F97-I107 HydrophobicContact CB-CD1 4.16Å; F97-I107 WeakPolarHBondContact O-CD1 3.4Å; F97-V109 HydrophobicContact CB-CG2 3.64Å
98N94.7Very high93.8Very high5 Ų551.9 Ų51.93%0.02727%0.268CS..THydrogen-bonded Turntrans-67.6112.1-177.1-175.854000111.8V7 I10 N11 V94 R108 V109V7-N98 PolarHBondContact O-ND2 3.18Å; I10-N98 WeakPolarHBondContact CB-ND2 3.37Å; N11-N98 PolarHBondContact ND2-O 3.04Å; N11-N98 PolarHBondContact OD1-ND2 3.44Å; N11-N98 PolarHBondContact OD1-O 2.86Å; V94-N98 WeakPolarHBondContact O-CB 3.36Å; V94-N98 PolarHBondContact O-N 2.93Å; N98-R108 WeakPolarHBondContact OD1-CA 3.49Å; N98-R108 WeakPolarHBondContact OD1-CG 3.47Å; N98-V109 HydrophobicContact CB-CB 4.19Å; N98-V109 PolarHBondContact OD1-N 3.33Å; N98-V109 PolarHBondContact OD1-O 3Å
99G91.8Very high93.9Very high23 Ų2344.5 Ų44.524%0.23724%0.24CC..THydrogen-bonded Turntrans101.3-7.6-177.800000115.6V7 F97 I107V7-G99 VanDerWaalsContact CG1-CA 3.4Å; F97-G99 PolarHBondContact O-N 2.72Å; G99-I107 WeakPolarHBondContact CA-O 3.17Å; G99-I107 PolarHBondContact N-O 2.89Å
100I93.4Very high93.8Very high74 Ų7445.4 Ų45.438%0.37924%0.243SC..  trans-60.1148.9174.8-70.7-166.2000110.9N96 F97 I102 T106 I107N96-I100 VanDerWaalsContact O-CD1 3.24Å; N96-I100 WeakPolarHBondContact O-CD1 3.39Å; F97-I100 HydrophobicContact CD1-CD1 4.05Å; F97-I100 PolarHBondContact O-N 2.88Å; F97-I100 VanDerWaalsContact O-N 3.14Å; I100-I102 HydrophobicContact CG2-CG1 4.25Å; I100-T106 CarbonylContact O-C 3.47Å; I100-T106 WeakPolarHBondContact O-CA 3.19Å; I100-I107 HydrophobicContact CB-CG1 4.31Å; I100-I107 VanDerWaalsContact O-CG1 3.25Å; I100-I107 WeakPolarHBondContact O-CG1 3.13Å; I100-I107 PolarHBondContact O-N 3.07Å
101K93.4Very high93.7Very high156 Ų15645.7 Ų45.768%0.67825%0.245SC*.EExtended strand (participates in β ladder)trans-104.6109.9-178.3-67.7171.6-174.5169.30110.5R105K101-R105 CarbonylContact C-O 3.59Å; K101-R105 WeakPolarHBondContact CA-O 3.47Å
102I91.8Very high93.7Very high25 Ų2545.4 Ų45.413%0.12824%0.243CC..EExtended strand (participates in β ladder)trans-106.3125.4177.4-54.8-175.8000108.8P44 L47 I100 G104 R105 I107P44-I102 HydrophobicContact CG-CB 4.49Å; P44-I102 HydrophobicContact CG-CG2 4.26Å; P44-I102 WeakPolarHBondContact CG-O 3.2Å; L47-I102 HydrophobicContact CD1-CG2 3.51Å; I100-I102 HydrophobicContact CG2-CG1 4.25Å; I102-G104 PolarHBondContact O-N 2.57Å; I102-G104 VanDerWaalsContact O-N 3.15Å; I102-R105 PolarHBondContact N-O 3.38Å; I102-R105 PolarHBondContact O-N 2.93Å; I102-I107 HydrophobicContact CB-CG2 4.43Å; I102-I107 HydrophobicContact CD1-CD1 3.93Å; I102-I107 HydrophobicContact CD1-CG1 4.38Å; I102-I107 HydrophobicContact CD1-CG2 4.07Å; I102-I107 HydrophobicContact CG1-CG2 4.22Å
103K89.4Confident93.4Very high145 Ų14544.5 Ų44.563%0.6324%0.243SC*.THydrogen-bonded Turntrans44.544.1-173.5-52.6-174.786.8-179.30113P44 E46 R105P44-K103 HydrophobicContact CB-CB 4.46Å; P44-K103 HydrophobicContact CB-CD 4.48Å; P44-K103 HydrophobicContact CG-CB 3.98Å; P44-K103 HydrophobicContact CG-CG 4.37Å; E46-K103 IonicContact OE2-NZ 2.68Å; E46-K103 PolarHBondContact OE2-NZ 2.84Å; K103-R105 VanDerWaalsContact C-N 3.32Å; K103-R105 PolarHBondContact O-N 3.3Å
104G90.1Very high92.7Very high77 Ų7751.4 Ų51.479%0.79428%0.28SS*.THydrogen-bonded Turntrans80.3-2.7-179.800000116.3I102I102-G104 PolarHBondContact O-N 2.57Å; I102-G104 VanDerWaalsContact O-N 3.15Å
105R91.6Very high92Very high94 Ų9453.2 Ų53.236%0.35529%0.287SS..EExtended strand (participates in β ladder)trans-109.9126.9-178.8-167.1173-179168.76.3111.4G42 L43 Y45 K101 I102 K103 I107G42-R105 WeakPolarHBondContact O-CD 3.19Å; G42-R105 VanDerWaalsContact O-CG 3.24Å; G42-R105 WeakPolarHBondContact O-CG 3.1Å; G42-R105 PolarHBondContact O-NE 2.79Å; G42-R105 VanDerWaalsContact O-NE 3.16Å; L43-R105 PolarHBondContact O-NH1 3.18Å; Y45-R105 VanDerWaalsContact CZ-NH1 3.31Å; Y45-R105 PolarHBondContact OH-NH1 2.87Å; Y45-R105 PolarHBondContact OH-NH2 2.72Å; K101-R105 CarbonylContact C-O 3.59Å; K101-R105 WeakPolarHBondContact CA-O 3.47Å; I102-R105 PolarHBondContact N-O 3.38Å; I102-R105 PolarHBondContact O-N 2.93Å; K103-R105 VanDerWaalsContact C-N 3.32Å; K103-R105 PolarHBondContact O-N 3.3Å; R105-I107 PolarHBondContact O-N 3.38Å
106T93.6Very high91.1Very high39 Ų3959.6 Ų59.624%0.23931%0.308CS..EExtended strand (participates in β ladder)trans-66.7124.3173.1-68.40000110.8L4 V7 I100L4-T106 HydrophobicContact CD2-CG2 4.07Å; V7-T106 HydrophobicContact CG1-CG2 4.49Å; V7-T106 HydrophobicContact CG2-CG2 4.38Å; I100-T106 CarbonylContact O-C 3.47Å; I100-T106 WeakPolarHBondContact O-CA 3.19Å
107I94.9Very high90.2Very high2 Ų257.7 Ų57.71%0.0130%0.303CS..  trans-87.2156.5169.560.4155.8000111.1G41 L43 F56 F97 G99 I100 I102 R105 V109G41-I107 CarbonylContact O-C 3.54Å; G41-I107 WeakPolarHBondContact O-CA 3.35Å; L43-I107 HydrophobicContact CD2-CG2 3.91Å; F56-I107 HydrophobicContact CZ-CD1 3.88Å; F97-I107 HydrophobicContact CB-CD1 4.16Å; F97-I107 WeakPolarHBondContact O-CD1 3.4Å; G99-I107 WeakPolarHBondContact CA-O 3.17Å; G99-I107 PolarHBondContact N-O 2.89Å; I100-I107 HydrophobicContact CB-CG1 4.31Å; I100-I107 VanDerWaalsContact O-CG1 3.25Å; I100-I107 WeakPolarHBondContact O-CG1 3.13Å; I100-I107 PolarHBondContact O-N 3.07Å; I102-I107 HydrophobicContact CB-CG2 4.43Å; I102-I107 HydrophobicContact CD1-CD1 3.93Å; I102-I107 HydrophobicContact CD1-CG1 4.38Å; I102-I107 HydrophobicContact CD1-CG2 4.07Å; I102-I107 HydrophobicContact CG1-CG2 4.22Å; R105-I107 PolarHBondContact O-N 3.38Å; I107-V109 HydrophobicContact CD1-CG2 4.17Å
108R94.4Very high89.3Confident32 Ų3261.5 Ų61.512%0.12133%0.328CS..EExtended strand (participates in β ladder)trans-117.5137.6168.8179.8172.2-177.6-103.3-1.9108.6V7 G41 N98 D110V7-R108 HydrophobicContact CG2-CB 3.67Å; V7-R108 HydrophobicContact CG2-CG 3.92Å; G41-R108 PolarHBondContact N-O 3.02Å; G41-R108 PolarHBondContact O-N 3.22Å; N98-R108 WeakPolarHBondContact OD1-CA 3.49Å; N98-R108 WeakPolarHBondContact OD1-CG 3.47Å; R108-D110 IonicContact CZ-OD1 3.65Å; R108-D110 IonicContact CZ-OD2 3.93Å; R108-D110 VanDerWaalsContact NH1-CG 3.3Å; R108-D110 IonicContact NH1-OD1 3.86Å; R108-D110 IonicContact NH1-OD2 2.57Å; R108-D110 PolarHBondContact NH1-OD2 2.96Å; R108-D110 IonicContact NH2-OD1 2.71Å; R108-D110 PolarHBondContact NH2-OD1 3.43Å; R108-D110 IonicContact NH2-OD2 3.59Å; R108-D110 PolarHBondContact NH2-OD2 2.81Å
109V95.4Very high87.7Confident0 Ų067.4 Ų67.40%036%0.355CS..EExtended strand (participates in β ladder)trans-119146.6169.3-169.10000108.4I38 F39 L40 F56 V94 F97 N98 I107I38-V109 HydrophobicContact CB-CG1 4.26Å; I38-V109 HydrophobicContact CD1-CG1 3.86Å; F39-V109 WeakPolarHBondContact O-CA 3.29Å; L40-V109 HydrophobicContact CD2-CB 4.38Å; L40-V109 HydrophobicContact CD2-CG1 3.93Å; L40-V109 HydrophobicContact CD2-CG2 3.76Å; F56-V109 HydrophobicContact CE1-CG2 4.15Å; F56-V109 HydrophobicContact CZ-CG2 4.29Å; V94-V109 HydrophobicContact CB-CG1 4.43Å; V94-V109 HydrophobicContact CG2-CG1 3.81Å; F97-V109 HydrophobicContact CB-CG2 3.64Å; N98-V109 HydrophobicContact CB-CB 4.19Å; N98-V109 PolarHBondContact OD1-N 3.33Å; N98-V109 PolarHBondContact OD1-O 3Å; I107-V109 HydrophobicContact CD1-CG2 4.17Å
110D94.8Very high86Confident32 Ų3274.2 Ų74.217%0.17138%0.381CS..EExtended strand (participates in β ladder)trans-159.7141.8-169.7-159.734.2000108.9I38 F39 R108I38-D110 CarbonylContact C-O 3.57Å; I38-D110 WeakPolarHBondContact CA-O 3.48Å; F39-D110 HydrophobicContact CB-CB 4.3Å; F39-D110 HydrophobicContact CD1-CB 4.1Å; F39-D110 PolarHBondContact N-O 3.06Å; F39-D110 PolarHBondContact O-N 3.33Å; R108-D110 IonicContact CZ-OD1 3.65Å; R108-D110 IonicContact CZ-OD2 3.93Å; R108-D110 VanDerWaalsContact NH1-CG 3.3Å; R108-D110 IonicContact NH1-OD1 3.86Å; R108-D110 IonicContact NH1-OD2 2.57Å; R108-D110 PolarHBondContact NH1-OD2 2.96Å; R108-D110 IonicContact NH2-OD1 2.71Å; R108-D110 PolarHBondContact NH2-OD1 3.43Å; R108-D110 IonicContact NH2-OD2 3.59Å; R108-D110 PolarHBondContact NH2-OD2 2.81Å
111H94.4Very high83.9Confident6 Ų673.7 Ų73.73%0.02838%0.384CS..EExtended strand (participates in β ladder)trans-74.1152.4174.7-71.3-65.4000111.9W28 H29 Y32 T90 V91W28-H111 AromaticContact CH2-CD2 3.67Å; W28-H111 AromaticContact CZ3-CD2 3.71Å; H29-H111 AromaticContact CE1-NE2 3.09Å; H29-H111 PolarHBondContact CE1-NE2 3.3Å; H29-H111 AromaticContact CG-NE2 3.12Å; H29-H111 AromaticContact ND1-CD2 3.7Å; H29-H111 AromaticContact ND1-NE2 2.31Å; H29-H111 PolarHBondContact ND1-NE2 3.01Å; Y32-H111 HydrophobicContact CD1-CB 3.34Å; Y32-H111 HydrophobicContact CD2-CB 3.68Å; Y32-H111 AromaticContact CD2-CD2 3.98Å; Y32-H111 HydrophobicContact CE1-CB 3.61Å; Y32-H111 HydrophobicContact CE2-CB 3.95Å; Y32-H111 HydrophobicContact CG-CB 3.35Å; Y32-H111 AromaticContact CG-CG 3.87Å; T90-H111 VanDerWaalsContact CA-CE1 3.44Å; T90-H111 WeakPolarHBondContact CA-CE1 3.14Å; T90-H111 WeakPolarHBondContact CB-CE1 3.38Å; T90-H111 PolarHBondContact O-CE1 2.96Å; T90-H111 PolarHBondContact OG1-CE1 2.92Å; V91-H111 WeakPolarHBondContact CA-CE1 3.43Å; V91-H111 WeakPolarHBondContact CG2-CE1 3.34Å; V91-H111 PolarHBondContact N-CE1 3.33Å
112V93.5Very high82Confident29 Ų2974.3 Ų74.318%0.17639%0.389CS..  trans-135.2101.1178.3-167.80000111.1S35 W37 F39 F81 N114 Y115S35-V112 WeakPolarHBondContact CB-O 3.5Å; S35-V112 PolarHBondContact OG-O 3.27Å; W37-V112 HydrophobicContact CB-CB 4.3Å; W37-V112 PolarHBondContact O-N 3.45Å; F39-V112 HydrophobicContact CB-CG2 3.52Å; F81-V112 HydrophobicContact CD1-CG2 4.32Å; F81-V112 HydrophobicContact CE1-CG2 4.27Å; V112-N114 VanDerWaalsContact C-N 3.32Å; V112-N114 PolarHBondContact O-N 3.2Å; V112-Y115 HydrophobicContact CG1-CD2 4.44Å
113S88.5Confident80.3Confident61 Ų6179.6 Ų79.643%0.42742%0.418SS..THydrogen-bonded Turntrans-67.9-24.3-176.4570000115.2
114N82Confident78.3Confident145 Ų14577.6 Ų77.678%0.77541%0.412SS*.THydrogen-bonded Turntrans-133.949.5-172-78.3-90.9000112V112 R116V112-N114 VanDerWaalsContact C-N 3.32Å; V112-N114 PolarHBondContact O-N 3.2Å; N114-R116 PolarHBondContact O-N 2.8Å
115Y81.4Confident76.9Confident38 Ų3880 Ų8015%0.14941%0.407CS..  trans-83.6110.5173.7-164.7-105.9000111.9W37 N66 F81 V112 A117 P118W37-Y115 AromaticContact CD2-CD1 3.55Å; W37-Y115 HydrophobicContact CD2-CD1 3.55Å; W37-Y115 HydrophobicContact CD2-CG 4.13Å; W37-Y115 AromaticContact CE2-CD1 3.87Å; W37-Y115 AromaticContact CE3-CD1 3.33Å; W37-Y115 HydrophobicContact CE3-CD1 3.33Å; W37-Y115 AromaticContact CE3-CE1 3.92Å; W37-Y115 HydrophobicContact CE3-CE1 3.92Å; W37-Y115 HydrophobicContact CE3-CG 4.11Å; W37-Y115 HydrophobicContact CG-CD1 4.27Å; W37-Y115 HydrophobicContact CG-CG 4.41Å; W37-Y115 AromaticContact CH2-CD1 3.82Å; W37-Y115 HydrophobicContact CH2-CD1 3.82Å; W37-Y115 AromaticContact CH2-CE1 3.97Å; W37-Y115 HydrophobicContact CH2-CE1 3.97Å; W37-Y115 HydrophobicContact CZ2-CD1 4.01Å; W37-Y115 AromaticContact CZ3-CD1 3.48Å; W37-Y115 HydrophobicContact CZ3-CD1 3.48Å; W37-Y115 VanDerWaalsContact CZ3-CD1 3.48Å; W37-Y115 AromaticContact CZ3-CE1 3.63Å; W37-Y115 HydrophobicContact CZ3-CE1 3.63Å; N66-Y115 PolarHBondContact ND2-OH 2.89Å; F81-Y115 HydrophobicContact CB-CD1 4.1Å; F81-Y115 HydrophobicContact CB-CD2 4.35Å; F81-Y115 HydrophobicContact CB-CE1 3.6Å; F81-Y115 HydrophobicContact CB-CE2 3.92Å; F81-Y115 HydrophobicContact CB-CG 4.42Å; F81-Y115 VanDerWaalsContact CB-CZ 3.5Å; F81-Y115 HydrophobicContact CD1-CD1 4.47Å; F81-Y115 AromaticContact CD1-CD2 3.34Å; F81-Y115 HydrophobicContact CD1-CD2 3.34Å; F81-Y115 HydrophobicContact CD1-CE1 4.41Å; F81-Y115 AromaticContact CD1-CE2 3.3Å; F81-Y115 HydrophobicContact CD1-CE2 3.3Å; F81-Y115 AromaticContact CD1-CG 3.95Å; F81-Y115 HydrophobicContact CD1-CG 3.95Å; F81-Y115 AromaticContact CD1-CZ 3.85Å; F81-Y115 HydrophobicContact CD2-CD2 4.31Å; F81-Y115 HydrophobicContact CD2-CE1 4.41Å; F81-Y115 AromaticContact CD2-CE2 3.4Å; F81-Y115 HydrophobicContact CD2-CE2 3.4Å; F81-Y115 AromaticContact CD2-CZ 3.44Å; F81-Y115 VanDerWaalsContact CD2-CZ 3.44Å; F81-Y115 WeakPolarHBondContact CD2-OH 3.29Å; F81-Y115 AromaticContact CE1-CD2 3.54Å; F81-Y115 HydrophobicContact CE1-CD2 3.54Å; F81-Y115 AromaticContact CE1-CE2 3.49Å; F81-Y115 HydrophobicContact CE1-CE2 3.49Å; F81-Y115 VanDerWaalsContact CE1-CE2 3.49Å; F81-Y115 HydrophobicContact CE2-CD2 4.47Å; F81-Y115 AromaticContact CE2-CE2 3.59Å; F81-Y115 HydrophobicContact CE2-CE2 3.59Å; F81-Y115 HydrophobicContact CG-CD1 4.38Å; F81-Y115 AromaticContact CG-CD2 3.75Å; F81-Y115 HydrophobicContact CG-CD2 3.75Å; F81-Y115 AromaticContact CG-CE1 3.91Å; F81-Y115 HydrophobicContact CG-CE1 3.91Å; F81-Y115 AromaticContact CG-CE2 3.23Å; F81-Y115 HydrophobicContact CG-CE2 3.23Å; F81-Y115 HydrophobicContact CG-CG 4.29Å; F81-Y115 AromaticContact CG-CZ 3.3Å; F81-Y115 HydrophobicContact CZ-CD2 4.11Å; F81-Y115 AromaticContact CZ-CE2 3.63Å; F81-Y115 HydrophobicContact CZ-CE2 3.63Å; V112-Y115 HydrophobicContact CG1-CD2 4.44Å; Y115-A117 VanDerWaalsContact CE1-CA 3.48Å; Y115-A117 HydrophobicContact CE1-CB 4.08Å; Y115-P118 WeakPolarHBondContact OH-CD 3.24Å
116R75.1Confident75.9Confident186 Ų18680.9 Ų80.970%0.70242%0.415SS*.  trans-95.2114.7160.3-166.5174.8-169.6-92.3-3108.1N114N114-R116 PolarHBondContact O-N 2.8Å
117A75Confident74.7Confident38 Ų3883.5 Ų83.531%0.31443%0.431SS..  trans-50.7136.5169.200000109.6W37 Y115 Q119W37-A117 HydrophobicContact CH2-CB 4.17Å; W37-A117 HydrophobicContact CZ2-CB 4.48Å; Y115-A117 VanDerWaalsContact CE1-CA 3.48Å; Y115-A117 HydrophobicContact CE1-CB 4.08Å; A117-Q119 VanDerWaalsContact C-N 3.31Å; A117-Q119 PolarHBondContact O-N 2.65Å
118P75Confident73.3Confident85 Ų8586.2 Ų86.255%0.55245%0.448SS*.  trans-58.7102.3165.4-17.330.7000106.9N66 Y115 E120N66-P118 WeakPolarHBondContact ND2-CD 3.37Å; Y115-P118 WeakPolarHBondContact OH-CD 3.24Å; P118-E120 PolarHBondContact O-N 2.79Å
119Q61.9Low72.2Confident128 Ų12890 Ų9060%0.59846%0.462SS*.PPolyproline II helixtrans-48.4117.4172.3-171.4169-9.400106.9A117 S121A117-Q119 VanDerWaalsContact C-N 3.31Å; A117-Q119 PolarHBondContact O-N 2.65Å; Q119-S121 PolarHBondContact O-N 3.21Å; Q119-S121 VanDerWaalsContact O-N 3.14Å
120E57Low70.9Confident166 Ų16693.7 Ų93.778%0.77648%0.479SS*.PPolyproline II helixtrans-55.9124.5177.7-64.4-160.5127.100106.9P118P118-E120 PolarHBondContact O-N 2.79Å
121S48.7Very low69.6Low64 Ų6496.9 Ų96.945%0.44850%0.496SS..PPolyproline II helixtrans-68.2145.7178.839.90000108.3Q119 D123Q119-S121 PolarHBondContact O-N 3.21Å; Q119-S121 VanDerWaalsContact O-N 3.14Å; S121-D123 WeakPolarHBondContact CB-OD2 3.35Å; S121-D123 PolarHBondContact O-N 3.29Å; S121-D123 PolarHBondContact OG-OD2 3.21Å
122E54.1Low68.1Low168 Ų168103.6 Ų103.679%0.78553%0.527SS*.SBendtrans-69.226.7-176.1-62.2153.8175.400112.5M124E122-M124 PolarHBondContact O-N 3.37Å
123D55Low66.8Low136 Ų136109.8 Ų109.873%0.72755%0.554SS**  trans-82.618176.9-51.5-53.8000112.3S121S121-D123 WeakPolarHBondContact CB-OD2 3.35Å; S121-D123 PolarHBondContact O-N 3.29Å; S121-D123 PolarHBondContact OG-OD2 3.21Å
124M47.8Very low66Low104 Ų104113.4 Ų113.451%0.51256%0.562SS.*SBendtrans-71.8125.7160-72.6-67.9-165.700107.2E122 E126E122-M124 PolarHBondContact O-N 3.37Å; M124-E126 PolarHBondContact O-N 3.36Å
125D60.5Low64.8Low128 Ų128108.4 Ų108.468%0.68455%0.545SS*.  trans-55.1141.4177-72.4-61.7000110.1V127 T128 R129D125-V127 PolarHBondContact O-N 3.44Å; D125-T128 PolarHBondContact N-OG1 2.57Å; D125-T128 WeakPolarHBondContact O-CA 3.49Å; D125-T128 WeakPolarHBondContact O-CB 2.95Å; D125-T128 PolarHBondContact O-N 3.37Å; D125-T128 PolarHBondContact O-OG1 3.48Å; D125-R129 PolarHBondContact O-N 2.4Å
126E70.8Confident63.5Low112 Ų112112.8 Ų112.852%0.52358%0.58SS.*Hα-helixtrans-46.4-41.9-176.6-16870.1-144.200111.9M124 T128 R129 E130M124-E126 PolarHBondContact O-N 3.36Å; E126-T128 PolarHBondContact O-N 3.4Å; E126-R129 PolarHBondContact O-N 3.04Å; E126-R129 IonicContact OE1-CZ 2.99Å; E126-R129 IonicContact OE1-NE 3.42Å; E126-R129 IonicContact OE1-NH2 3.95Å; E126-R129 PolarHBondContact OE1-NH2 3.39Å; E126-R129 IonicContact OE2-CZ 2.67Å; E126-R129 IonicContact OE2-NH2 2.89Å; E126-R129 PolarHBondContact OE2-NH2 3.27Å; E126-E130 WeakPolarHBondContact O-CG 3.13Å; E126-E130 PolarHBondContact O-N 3.01Å
127V68.5Low62.2Low94 Ų94106.7 Ų106.757%0.5758%0.575SS**Hα-helixtrans-61-37.5177.5-175.20000112.9D125 L131D125-V127 PolarHBondContact O-N 3.44Å; V127-L131 HydrophobicContact CG1-CD1 4.13Å; V127-L131 WeakPolarHBondContact O-CB 3.4Å; V127-L131 WeakPolarHBondContact O-CD1 3.36Å; V127-L131 VanDerWaalsContact O-CG 3.24Å; V127-L131 WeakPolarHBondContact O-CG 3.31Å; V127-L131 PolarHBondContact O-N 2.89Å
128T65.8Low60.9Low59 Ų59109.4 Ų109.436%0.36260%0.598SS.*Hα-helixtrans-71.6-40177-1.70000111.8D125 E126 L131 Q132D125-T128 PolarHBondContact N-OG1 2.57Å; D125-T128 WeakPolarHBondContact O-CA 3.49Å; D125-T128 WeakPolarHBondContact O-CB 2.95Å; D125-T128 PolarHBondContact O-N 3.37Å; D125-T128 PolarHBondContact O-OG1 3.48Å; E126-T128 PolarHBondContact O-N 3.4Å; T128-L131 PolarHBondContact O-N 2.92Å; T128-Q132 PolarHBondContact O-N 2.84Å; T128-Q132 VanDerWaalsContact O-N 3.11Å
129R72.1Confident59.6Low112 Ų112115.1 Ų115.142%0.42361%0.613SS.*Hα-helixtrans-62.2-48.8173.4-178.717070.2-140.14.7110.1D125 E126 L131 Q132 E133D125-R129 PolarHBondContact O-N 2.4Å; E126-R129 PolarHBondContact O-N 3.04Å; E126-R129 IonicContact OE1-CZ 2.99Å; E126-R129 IonicContact OE1-NE 3.42Å; E126-R129 IonicContact OE1-NH2 3.95Å; E126-R129 PolarHBondContact OE1-NH2 3.39Å; E126-R129 IonicContact OE2-CZ 2.67Å; E126-R129 IonicContact OE2-NH2 2.89Å; E126-R129 PolarHBondContact OE2-NH2 3.27Å; R129-L131 VanDerWaalsContact C-N 3.3Å; R129-L131 PolarHBondContact O-N 2.69Å; R129-Q132 PolarHBondContact O-N 3.42Å; R129-E133 WeakPolarHBondContact O-CB 3.45Å; R129-E133 PolarHBondContact O-N 3.21Å
130E67.9Low58.7Low76 Ų76115.1 Ų115.136%0.35562%0.623SS.*Hα-helixtrans-57.4-38.8173.5-77.3-161.413500112.9E126 E133 K134E126-E130 WeakPolarHBondContact O-CG 3.13Å; E126-E130 PolarHBondContact O-N 3.01Å; E130-E133 PolarHBondContact O-N 3.1Å; E130-K134 HydrophobicContact CB-CD 4.22Å; E130-K134 WeakPolarHBondContact O-CB 3.46Å; E130-K134 WeakPolarHBondContact O-CD 3.45Å; E130-K134 WeakPolarHBondContact O-CG 3.21Å; E130-K134 PolarHBondContact O-N 3.05Å; E130-K134 IonicContact OE1-NZ 2.74Å; E130-K134 PolarHBondContact OE1-NZ 3.33Å; E130-K134 IonicContact OE2-NZ 4Å; E130-K134 PolarHBondContact OE2-NZ 2.99Å
131L66.2Low58.4Low100 Ų100112.6 Ų112.652%0.52462%0.621SS.*Hα-helixtrans-69.3-31179.2-81.4165.8000113.2V127 T128 R129V127-L131 HydrophobicContact CG1-CD1 4.13Å; V127-L131 WeakPolarHBondContact O-CB 3.4Å; V127-L131 WeakPolarHBondContact O-CD1 3.36Å; V127-L131 VanDerWaalsContact O-CG 3.24Å; V127-L131 WeakPolarHBondContact O-CG 3.31Å; V127-L131 PolarHBondContact O-N 2.89Å; T128-L131 PolarHBondContact O-N 2.92Å; R129-L131 VanDerWaalsContact C-N 3.3Å; R129-L131 PolarHBondContact O-N 2.69Å
132Q64.4Low58.2Low146 Ų146115.5 Ų115.568%0.68264%0.638SS**Hα-helixtrans-72.7-43.6170.3-68.9-177-6700111.2T128 R129 G135T128-Q132 PolarHBondContact O-N 2.84Å; T128-Q132 VanDerWaalsContact O-N 3.11Å; R129-Q132 PolarHBondContact O-N 3.42Å; Q132-G135 PolarHBondContact O-N 3.39Å
133E66.3Low57.4Low160 Ų160113.7 Ų113.775%0.74864%0.644SS**Hα-helixtrans-68.4-36.4-179.5-172.3170.8-16700113R129 E130 G135R129-E133 WeakPolarHBondContact O-CB 3.45Å; R129-E133 PolarHBondContact O-N 3.21Å; E130-E133 PolarHBondContact O-N 3.1Å; E133-G135 PolarHBondContact O-N 2.57Å
134K70.5Confident56.4Low136 Ų136112.7 Ų112.759%0.59165%0.648SS**THydrogen-bonded Turntrans-72.8-8.6174-69.4164.6-171.3175.10113.1E130E130-K134 HydrophobicContact CB-CD 4.22Å; E130-K134 WeakPolarHBondContact O-CB 3.46Å; E130-K134 WeakPolarHBondContact O-CD 3.45Å; E130-K134 WeakPolarHBondContact O-CG 3.21Å; E130-K134 PolarHBondContact O-N 3.05Å; E130-K134 IonicContact OE1-NZ 2.74Å; E130-K134 PolarHBondContact OE1-NZ 3.33Å; E130-K134 IonicContact OE2-NZ 4Å; E130-K134 PolarHBondContact OE2-NZ 2.99Å
135G56.7Low55.8Low41 Ų41112.7 Ų112.742%0.42366%0.658SS.*THydrogen-bonded Turntrans52.382.916100000115.8Q132 E133 G137Q132-G135 PolarHBondContact O-N 3.39Å; E133-G135 PolarHBondContact O-N 2.57Å; G135-G137 PolarHBondContact O-N 3.08Å
136C54.4Low54.5Low129 Ų129112.1 Ų112.187%0.87266%0.659SS**  trans-69.633.1171.8-65.60000114.5
137G47.7Very low52.7Low59 Ų59115.1 Ų115.161%0.60867%0.673SS**SBendtrans-91.1124.6165.200000109.6G135 K139G135-G137 PolarHBondContact O-N 3.08Å; G137-K139 PolarHBondContact O-N 3.09Å
138A47.9Very low51Low95 Ų95117.8 Ų117.879%0.78569%0.689SS**  trans-59.4126.4171.300000109.4T140A138-T140 PolarHBondContact O-N 2.31Å
139K47.3Very low49.6Very low204 Ų204119.4 Ų119.489%0.88770%0.703SS**  trans-67.892.4176.7-69.3-178.8179.8178.10109.7G137 P141G137-K139 PolarHBondContact O-N 3.09Å; K139-P141 VanDerWaalsContact O-CD 3.31Å; K139-P141 WeakPolarHBondContact O-CD 3.03Å
140T44.3Very low47.9Very low129 Ų129122 Ų12279%0.79172%0.72SS**  trans-64.2115159.546.60000107.7A138A138-T140 PolarHBondContact O-N 2.31Å
141P50.6Low46.3Very low113 Ų113125 Ų12573%0.73474%0.739SS**  trans-67.8143.9-178.628.3-34.3000110.3K139 S143K139-P141 VanDerWaalsContact O-CD 3.31Å; K139-P141 WeakPolarHBondContact O-CD 3.03Å; P141-S143 PolarHBondContact O-N 3.32Å
142P43.9Very low45Very low124 Ų124127.7 Ų127.781%0.80575%0.748SS**  trans-66.5129.6174.128.4-33.6000109.7S144P142-S144 PolarHBondContact O-N 3.08Å
143S36.3Very low43.5Very low131 Ų131127 Ų12792%0.91675%0.749SS**  trans-73.995.4179.657.90000111.4P141P141-S143 PolarHBondContact O-N 3.32Å
144S34.8Very low42Very low115 Ų115125.7 Ų125.780%0.80475%0.752SS**  trans-127150161.1-173.90000109P142P142-S144 PolarHBondContact O-N 3.08Å
145S35.7Very low40.4Very low103 Ų103126.8 Ų126.872%0.7276%0.757SS**  trans-72.8159.8-164.3-51.60000115.4
146T33.1Very low39.6Very low117 Ų117131 Ų13172%0.71878%0.777SS**  trans71.4144.2163.4-10.70000113.5
147E33.1Very low38.6Very low175 Ų175129.3 Ų129.382%0.81876%0.762SS**  cis-133.2161.110.4-27.7-133.9103.900110.3
148V32.3Very low38Very low150 Ų150132.1 Ų132.191%0.90976%0.762SS**  trans-131.5134.6175.9-176.80000109.3
149S36.6Very low37.3Very low93 Ų93136.2 Ų136.265%0.6576%0.762SS**  trans-86.4144.2-173.252.80000114.1
150E36.3Very low36.7Very low165 Ų165134.1 Ų134.177%0.77176%0.755SS**  trans43.3110.8131.2-58.5173.1160.100118.9
151D33.4Very low36.1Very low141 Ų141137.5 Ų137.575%0.75476%0.759SS**  64139.2119.7-51.1-23.6000120.5
152E38.8Very low34.9Very low156 Ų156140 Ų14073%0.72976%0.759SS**  cis-159.5164.6-0-112.8-77.353.400109.5
153D34.1Very low34.3Very low131 Ų131139.1 Ų139.170%0.70175%0.747SS**  trans58.3150.5156.2-101.9-30.8000121.5
154V34.4Very low33.9Very low132 Ų132141.7 Ų141.780%0.874%0.741SS**  cis-134.81590.3-170.40000110.2
155K37.1Very low33.4Very low160 Ų160143.6 Ų143.670%0.69674%0.735SS**  trans-93.7169.9-176.5-134.4-178-151.5165.40113.9T157K155-T157 HydrophobicContact CD-CG2 3.96Å; K155-T157 HydrophobicContact CG-CG2 4.31Å
156P40.2Very low33Very low130 Ų130145.8 Ų145.884%0.84473%0.734SS**  -145.216378.435.3-15.6000117.7
157T32.6Very low32.7Very low92 Ų92150.4 Ų150.456%0.56474%0.744SS**  trans-100.4-170178.443.40000112K155K155-T157 HydrophobicContact CD-CG2 3.96Å; K155-T157 HydrophobicContact CG-CG2 4.31Å
158I35.6Very low32.5Very low119 Ų119151.8 Ų151.861%0.6175%0.748SS**  cis-156.4-172.723.16.3172.4000108.1
159K33.7Very low32.2Very low181 Ų181154.3 Ų154.379%0.78775%0.746SS**  cis-153.9115.134.8-65.7171.3-178.6176.70114.3
160H34Very low31.9Very low160 Ų160159.4 Ų159.474%0.74176%0.757SS**  trans45122.1132.2-61-82.2000124.7
161K31Very low31.5Very low199 Ų199158.4 Ų158.487%0.86575%0.75SS**  -172.6135.1104.8-96.8171.3178.7178.50108.7
162K25.6Very low31.2Very low167 Ų167161.2 Ų161.273%0.72676%0.755SS**  59133.867.6-97.3-178154.1-77.90112.9
163D32.3Very low30.7Very low104 Ų104161 Ų16156%0.55675%0.754SS**  cis-153.4145.418.7-112.2-52.1000109.3
164K27Very low30.6Very low185 Ų185163.2 Ų163.280%0.80476%0.758SS**  69.1144.3101.7-167.3-174.4179.7-176.90116.1
165K24.8Very low30.3Very low155 Ų155165.3 Ų165.367%0.67476%0.759SS**  cis-177.9156.7-20-178-167.1178.5-142.70107.4
166E26.6Very low30Very low150 Ų150166.8 Ų166.870%0.70177%0.765SS**  trans61.2121.1159.1-91.9172.2117.500121.3
167K27.7Very low29.4Very low213 Ų213168.1 Ų168.193%0.92676%0.762SS**  -164.1133.1102-127.1168.2-174.8165.80113.9
168K29.3Very low29.3Very low205 Ų205172 Ų17289%0.89177%0.774SS**  trans-131.197.3172.1175.8-174.8177.3178.20109.7
169K26.1Very low29Very low202 Ų202174.1 Ų174.188%0.87878%0.781SS**  trans-175156.6163.7-114.5168.4-177.7176.90112.9
170K28.7Very low28.8Very low201 Ų201172.4 Ų172.487%0.87477%0.773SS**  trans69.6142.8178.7-71-170.1176.1-176.20116.2
171K27.9Very low28.7Very low144 Ų144171.7 Ų171.763%0.62678%0.78SS**  cis-154.5127.5-24.4-170.6-177.8178.2-163.60110.5E173K171-E173 HydrophobicContact CD-CB 4.41Å; K171-E173 VanDerWaalsContact CE-OE2 3.23Å; K171-E173 WeakPolarHBondContact CE-OE2 3.45Å; K171-E173 IonicContact NZ-OE1 3.56Å; K171-E173 IonicContact NZ-OE2 2.72Å; K171-E173 PolarHBondContact NZ-OE2 3.3Å; K171-E173 PolarHBondContact O-N 2.97Å
172K28.6Very low28.7Very low200 Ų200169.4 Ų169.487%0.8777%0.772SS**  trans-70.6105158.5170.7-170.1176.7-177.10108.3
173E28.1Very low28.9Very low150 Ų150166.4 Ų166.470%0.70178%0.779SS**  trans165.4112.2159.7-99.8165.5-131.900110.5K171K171-E173 HydrophobicContact CD-CB 4.41Å; K171-E173 VanDerWaalsContact CE-OE2 3.23Å; K171-E173 WeakPolarHBondContact CE-OE2 3.45Å; K171-E173 IonicContact NZ-OE1 3.56Å; K171-E173 IonicContact NZ-OE2 2.72Å; K171-E173 PolarHBondContact NZ-OE2 3.3Å; K171-E173 PolarHBondContact O-N 2.97Å
174K30.8Very low28.7Very low178 Ų178170 Ų17077%0.77479%0.793SS**  trans-160.166.2134.5-159.2-179.1-178.6-174.50110.9
175E29.4Very low29.5Very low177 Ų177166.6 Ų166.683%0.82779%0.789SS**  trans-79.5157.1151.1-166.4177.1-172.100108.1
176K29.3Very low30.6Very low190 Ų190164.8 Ų164.883%0.82679%0.793SS**  trans66.9115.8-176.5-53.7-174178.6-174.30116.6
177M28.9Very low30.6Very low158 Ų158163 Ų16378%0.77880%0.797SS**  trans-157.995.9132.4-176.1167.8174.200109.2
178E29.2Very low30.4Very low175 Ų175158.8 Ų158.882%0.81879%0.793SS**  trans-110170.7160.5-72.3-169.3115.300109.1
179H30.7Very low30.3Very low162 Ų162154.3 Ų154.375%0.7579%0.788SS**  trans68.2142.3179.6-70.7-91.7000115.6
180K30Very low30.6Very low145 Ų145152.5 Ų152.563%0.6379%0.787SS**  cis-168.6135.8-6.7163.8-170.5-179.9-175.90110.6Q182K180-Q182 HydrophobicContact CG-CG 4.41Å
181V30.3Very low31.3Very low146 Ų146148.6 Ų148.689%0.88578%0.782SS**  trans-143.1151.5143.5-176.10000107.5
182Q30.8Very low31.3Very low150 Ų150147.5 Ų147.570%0.70179%0.793SS**  trans-130.1145.9-177-58.9170.2-87.200110.6K180K180-Q182 HydrophobicContact CG-CG 4.41Å
183A29.6Very low31.3Very low105 Ų105140.8 Ų140.887%0.86878%0.78SS**  trans-166.4144.3147.300000111.1
184E28.7Very low31.7Very low180 Ų180139.5 Ų139.584%0.84179%0.787SS**  trans-131.7-177.3173.1-111.8-163.1-165.600107
185P44.1Very low31.7Very low112 Ų112142 Ų14273%0.72779%0.792SS**  cis-142.9-150.325.853.5-32.9000112.1
186P47.3Very low31.9Very low118 Ų118137.9 Ų137.977%0.76679%0.789SS**  trans-133.5-174.1-137.432.6-5.6000117
187S27.7Very low32.1Very low112 Ų112135.7 Ų135.778%0.78379%0.791SS**  trans-160.5139.6159.461.70000114.4
188C22.4Very low32.3Very low125 Ų125135.5 Ų135.585%0.84579%0.786SS**  trans38.3149143.6-68.10000122.7
189S28.9Very low32.5Very low110 Ų110133.2 Ų133.277%0.76978%0.775SS**  cis-168.1161.13.2370000112.9
190L32.1Very low32.7Very low165 Ų165132.8 Ų132.886%0.86477%0.771SS**  trans-95.2157.2164.3-70.8173.3000112.2
191P42.7Very low32.8Very low118 Ų118132 Ų13277%0.76677%0.773SS**  -145.6-170.6111.238.2-23.2000112.4
192S28.7Very low32.9Very low122 Ų122132.9 Ų132.985%0.85377%0.768SS**  cis-170.3163.5-49.669.70000107.5
193G28Very low32.9Very low59 Ų59134.2 Ų134.261%0.60877%0.774SS**  cis165.7169.6-5.200000112
194S36.4Very low32.7Very low122 Ų122132.1 Ų132.185%0.85376%0.763SS**  trans68.4154.2171.785.50000117.4
195R30.4Very low33.6Very low230 Ų230128.3 Ų128.387%0.86875%0.754SS**  cis-131.5149.4-4.7-65.5176.1172.1164.6-4.7107.5
196A33.5Very low33.1Very low92 Ų92131.7 Ų131.776%0.7676%0.757SS**  cis85.2110.730.800000115.9
197V34Very low32.2Very low143 Ų143133.6 Ų133.687%0.86775%0.753SS**  trans159.9143.9152.6147.10000110.6
198K32.9Very low32.3Very low155 Ų155135.7 Ų135.767%0.67475%0.75SS**  cis-173.9123.5-27.8-172.9166.5-177-81.90110.7
199E34.2Very low32.5Very low127 Ų127134.2 Ų134.259%0.59374%0.741SS**  trans61.2159.6157.3-69.4-178.8124.600118.2
200K34.9Very low32.7Very low152 Ų152134.4 Ų134.466%0.66174%0.743SS**  cis-164-173.1-1.8-120.2169.1158.8148.50110
201D31.9Very low32.6Very low128 Ų128135.5 Ų135.568%0.68474%0.741SS**  cis-155.7-169.64.8-129.7-26.1000112.3
202E32Very low31.8Very low165 Ų165135.5 Ų135.577%0.77174%0.739SS**  trans-70.9-176.8172.3-65.1-88.3103.300114.3
203E29.7Very low31.9Very low178 Ų178133.8 Ų133.883%0.83273%0.726SS**  cis-157.1178.414.8-150.1176.815500112.1
204G25.7Very low32Very low61 Ų61139.1 Ų139.163%0.62974%0.735SS**  trans-113-143.617500000114
205P48.8Very low31.5Very low100 Ų100142.5 Ų142.565%0.64974%0.735SS**  cis-142.7-170.4-22.339.1-18.9000115.1
206K32.6Very low31.5Very low183 Ų183135.9 Ų135.980%0.79673%0.729SS**  trans76.7158.4163.4-56.9156.5-175.6164.40117.2
207K29.4Very low31.5Very low159 Ų159140.9 Ų140.969%0.69174%0.737SS**  cis-170.4147.9-19.4-110.2-179.6162.5-137.60111.8
208H28.8Very low31.1Very low155 Ų155141.6 Ų141.672%0.71873%0.728SS**  trans62.1164.1156.4-60.6-48.9000117.8
209S27.6Very low31.1Very low95 Ų95139.1 Ų139.166%0.66473%0.73SS**  cis-168.2154.9-12.340.10000111.9
210S31.7Very low30.8Very low114 Ų114140 Ų14080%0.79773%0.734SS**  trans56162.7150.253.30000120.9
211K31Very low30.5Very low188 Ų188138.6 Ų138.682%0.81774%0.744SS**  cis-167.5169.9-31.1-169.2-178.2174.5-173.30106.7
212T24.9Very low30.4Very low118 Ų118142.1 Ų142.172%0.72475%0.747SS**  trans-35.1161.7171.959.80000117.2
213S31Very low30.4Very low85 Ų85141.6 Ų141.659%0.59475%0.745SS**  cis-164.5174.535.861.10000115.3
214E29.7Very low30.4Very low171 Ų171136.5 Ų136.580%0.79974%0.74SS**  trans58.8162.2150.3-72.5160.6117.800121.7
215K27.3Very low30.6Very low194 Ų194144.1 Ų144.184%0.84375%0.75SS**  cis150.6139.2-30.6174.5-177.9173.4-170.20109.1
216A30.2Very low29.9Very low90 Ų90147.2 Ų147.274%0.74475%0.753SS**  trans118157.7167.900000112.6
217Q32.2Very low29.7Very low198 Ų198144.1 Ų144.193%0.92575%0.746SS**  cis-125.6-168.79.3-70.4176.6-82.500113.3
218K26.8Very low29.8Very low158 Ų158144.1 Ų144.169%0.68775%0.748SS**  trans-149135.4-171.6159.7-102.3169.6-162.40112.6E220K218-E220 WeakPolarHBondContact CE-OE1 3.23Å; K218-E220 IonicContact NZ-OE1 2.61Å; K218-E220 PolarHBondContact NZ-OE1 3.06Å; K218-E220 IonicContact NZ-OE2 3.41Å; K218-E220 PolarHBondContact NZ-OE2 3.46Å
219S31.9Very low29.7Very low103 Ų103143.2 Ų143.272%0.7275%0.753SS**  trans-162130.1160.2360000107.3
220E29.7Very low29.7Very low144 Ų144142.5 Ų142.567%0.67376%0.761SS**  74.1127.967.1-67.9166.516000111.7K218K218-E220 WeakPolarHBondContact CE-OE1 3.23Å; K218-E220 IonicContact NZ-OE1 2.61Å; K218-E220 PolarHBondContact NZ-OE1 3.06Å; K218-E220 IonicContact NZ-OE2 3.41Å; K218-E220 PolarHBondContact NZ-OE2 3.46Å
221S28.3Very low29.8Very low123 Ų123146.3 Ų146.386%0.8676%0.763SS**  -155.2-165.150-69.30000115.9
222R28.9Very low30.4Very low202 Ų202143.4 Ų143.476%0.76276%0.764SS**  trans-129.2166.4-172.1-84.5-177.866.4-121.8-3.1110.9
223E31.5Very low31Very low154 Ų154144.3 Ų144.372%0.7276%0.764SS**  cis-178.8147.1-13.2167.7-170.9-6300108.1
224G29.6Very low31.1Very low71 Ų71147.8 Ų147.873%0.73277%0.774SS**  trans171.493.317000000121.3
225R30.9Very low31Very low222 Ų222149.7 Ų149.784%0.83877%0.774SS**  trans33.7128.8136.4-83-179.5167.1178.6-1123.8
226K33.3Very low31.2Very low164 Ų164146.1 Ų146.171%0.71377%0.774SS**  trans74.8149.3139.9-63.3-177.1177.5-172.40118
227N29.8Very low31.5Very low119 Ų119145.7 Ų145.764%0.63677%0.765SS**  cis-161.8158.7-3.1-119.419.2000113.4
228H29.8Very low31.3Very low158 Ų158146.3 Ų146.373%0.73177%0.765SS**  trans76.7136.6153-76.8-63.8000125
229T28.1Very low31.7Very low137 Ų137147.7 Ų147.784%0.8477%0.774SS**  trans64.2126.5145.948.80000122.7
230G27.5Very low31.6Very low79 Ų79146 Ų14681%0.81477%0.772SS**  trans147118.8156.100000115.6
231F33.1Very low31.7Very low194 Ų194149.8 Ų149.885%0.85178%0.78SS**  trans-90.6155.7161.1-104-88.3000108.2
232P44.6Very low32Very low128 Ų128148.4 Ų148.483%0.83178%0.776SS**  -147.9175.671.540.5-21.2000117.3
233D36.8Very low32.3Very low136 Ų136146.4 Ų146.473%0.72778%0.776SS**  trans-121.8131.8-179.9-154.9-22.6000108.4
234I32.3Very low32.8Very low159 Ų159143.6 Ų143.682%0.81578%0.779SS**  trans177.6151172.9-103.9150.3000110.5
235R29Very low33.5Very low211 Ų211146.4 Ų146.480%0.79678%0.784SS**  cis-178.8112.6-30176.3-176.7-179.3178.51.1110.4
236S32Very low33.5Very low119 Ų119146 Ų14683%0.83279%0.789SS**  trans-170.1122.8153.743.40000109.3
237S35.4Very low33.2Very low81 Ų81149.7 Ų149.757%0.56680%0.798SS**  cis93.296.430-580000114.8
238F28.7Very low33.5Very low211 Ų211152.8 Ų152.893%0.92581%0.809SS**  trans-142.9159.2144.7-95.9-75.2000109.7
239H35.1Very low34.6Very low186 Ų186150.2 Ų150.286%0.86181%0.806SS**  trans-106.5161.3-166.2-61.9-70.6000112.7
240G29.1Very low34.8Very low67 Ų67154 Ų15469%0.69181%0.811SS**  cis154-150-4.400000113.4
241R31.6Very low35.2Very low224 Ų224159 Ų15985%0.84581%0.81SS**  trans67.2125.8178.1-162.7173.5-178.5-157.6-3.7117.3E243R241-E243 IonicContact CZ-OE1 3.82Å; R241-E243 IonicContact NE-OE1 3.05Å; R241-E243 IonicContact NH2-OE1 3.35Å; R241-E243 PolarHBondContact NH2-OE1 3.28Å
242A35.6Very low35.3Very low94 Ų94158.1 Ų158.178%0.77781%0.809SS**  trans-145.3161.4169.100000109
243E34.5Very low34.9Very low161 Ų161161.3 Ų161.375%0.75281%0.81SS**  trans-126162170.5-61.7-155.7172.800111.2R241R241-E243 IonicContact CZ-OE1 3.82Å; R241-E243 IonicContact NE-OE1 3.05Å; R241-E243 IonicContact NH2-OE1 3.35Å; R241-E243 PolarHBondContact NH2-OE1 3.28Å
244A42.3Very low35.5Very low94 Ų94160 Ų16078%0.77781%0.808SS**  trans-143.4167.2-170.800000111.3
245P43.9Very low35.6Very low131 Ų131161.6 Ų161.685%0.85181%0.81SS**  trans-136.3159.9130.930.2-14.7000114.7
246K31.6Very low35.9Very low213 Ų213159 Ų15993%0.92681%0.806SS**  trans-86.9162.4178.2-70.1179.5174.2-179.80112.7
247W27.7Very low35.8Very low241 Ų241162.2 Ų162.291%0.91381%0.808SS**  trans-133130.6161.7-166.5-37.2000109.4
248E34.6Very low36Very low184 Ų184165.4 Ų165.486%0.8681%0.814SS**  trans-137.7160.9161-93.3-159.7-156.500112.9
249P52.9Low36.2Very low104 Ų104165.6 Ų165.668%0.67581%0.814SS**  trans-110.5160.1-159.540.3-33.7000116.1
250K32.4Very low36.2Very low216 Ų216162.2 Ų162.294%0.93981%0.812SS**  trans-139.8172.5170-71.2-167.9177.4177.90113.3
251K35.9Very low36.4Very low185 Ų185164.6 Ų164.680%0.80482%0.818SS**  trans-121.4149.7-156.8-62.9-179.4179.6179.30116.4
252E35.2Very low36.4Very low175 Ų175159 Ų15982%0.81881%0.812SS**  trans72-177.3141.3-70.6172.8136.100121.6
253K36.9Very low36.2Very low196 Ų196164.3 Ų164.385%0.85281%0.813SS**  trans-123.1-169.5-146.6-52.2-179.8-179176.10111.5
254P49.3Very low36.1Very low108 Ų108164.4 Ų164.470%0.70181%0.806SS**  cis-151.6-168.27.447.1-25.8000119.6
255K33.9Very low35.6Very low193 Ų193167 Ų16784%0.83980%0.802SS**  trans79.1103.9150.5-75.1179.2-179.9-179.90123.6
256H34.7Very low34.9Very low155 Ų155164 Ų16472%0.71880%0.795SS**  52.8118.1107.9-153.5-78.1000122.9H258H256-H258 AromaticContact CE1-CD2 3.72Å; H256-H258 AromaticContact CE1-NE2 3.43Å; H256-H258 PolarHBondContact CE1-NE2 3.11Å
257E31Very low35.1Very low188 Ų188162.5 Ų162.588%0.87979%0.791SS**  trans-159.7177.5135.7-129.4-179.4-146.300114.1
258H39.7Very low35.5Very low148 Ų148156.9 Ų156.969%0.68578%0.775SS**  trans-118154.7-171.1-65.7-101.5000113.9H256H256-H258 AromaticContact CE1-CD2 3.72Å; H256-H258 AromaticContact CE1-NE2 3.43Å; H256-H258 PolarHBondContact CE1-NE2 3.11Å
259K31.9Very low35.6Very low214 Ų214156.1 Ų156.193%0.9377%0.769SS**  trans-162.5164.3141-113.7157.9-172.9169.40113
260S34.7Very low34.7Very low116 Ų116155 Ų15581%0.81176%0.763SS**  trans-147.7137.4-172.8480000113.1
261S34.1Very low35Very low117 Ų117156 Ų15682%0.81876%0.761SS**  trans-177.7148.9177.1480000108.5
262S32.3Very low35Very low105 Ų105150.6 Ų150.673%0.73476%0.757SS**  cis-173.9165.5-14.748.50000108.9
263R29.7Very low35.3Very low207 Ų207151.6 Ų151.678%0.78176%0.759SS**  trans23.4142.5143.6-71.3-174.5150.6162.8-6.1120
264R32.9Very low35.4Very low162 Ų162146.9 Ų146.961%0.61174%0.743SS**  cis-172.6154.418.7-127.1177.3168-159.8-30.9114.1
265E32.1Very low34.9Very low150 Ų150151.5 Ų151.570%0.70175%0.747SS**  trans47158.6136.8-74.2153.1-146.700123.7
266G29.9Very low34.9Very low67 Ų67146.2 Ų146.269%0.69175%0.747SS**  trans111.1101.7-172.600000111.6
267E34.9Very low35.1Very low181 Ų181149.9 Ų149.985%0.84676%0.755SS**  cis69.1136.345-64.4-163.3124.800114
268E36.7Very low35.4Very low124 Ų124145.6 Ų145.658%0.57975%0.745SS**  cis-159.4160.212.1-136.8-164.3166.900114.8
269K36.8Very low35.5Very low167 Ų167144.4 Ų144.473%0.72675%0.754SS**  trans62.5159.9154.8-76.1166.9-174.7139.60118.4
270S33.4Very low35.5Very low80 Ų80137 Ų13756%0.55974%0.738SS**  cis-152.4145.714.9970000115.4
271R39.3Very low35.5Very low239 Ų239137.1 Ų137.190%0.90273%0.734SS**  trans58.4136.8142.6-58.9162.4-179.3145.1-4.2120.2
272G36.5Very low35.6Very low70 Ų70139.2 Ų139.272%0.72273%0.731SS**  cis152.2167.8-9.500000114.5
273K41.2Very low35.6Very low197 Ų197140.5 Ų140.586%0.85773%0.734SS**  trans71.8151.2172.9-70.1-177.1170.8-173.80115.8
274D38.4Very low35.9Very low97 Ų97134.9 Ų134.952%0.51973%0.727SS.*  cis-166.4167.53.9-116.6-24.3000109.1
275R38.2Very low35.9Very low204 Ų204137.3 Ų137.377%0.7774%0.736SS**  cis-16885.3-8.1-161.9-176.8-50.5126.17116
276G34.4Very low35.9Very low82 Ų82138.1 Ų138.185%0.84574%0.739SS**  trans85.4-175.4158.500000118.9
277R39Very low35.9Very low233 Ų233138.6 Ų138.688%0.87975%0.745SS**  cis-166.3150-6.4-160.4-168.4-175.4-1730.7112
278S38.2Very low35.7Very low98 Ų98133.2 Ų133.269%0.68574%0.738SS**  trans65.7154.7154.827.40000119.9
279S41.8Very low35.5Very low123 Ų123136.1 Ų136.186%0.8675%0.751SS**  cis-173.4157.5-15.747.30000113.1
280G30.8Very low35.3Very low59 Ų59132.4 Ų132.461%0.60875%0.746SS**  trans127.8118.5165.800000112.5
281T34.9Very low35.5Very low118 Ų118137.6 Ų137.672%0.72476%0.761SS**  66.9142.167.763.90000113.2
282H35.4Very low35.1Very low160 Ų160129.5 Ų129.574%0.74175%0.752SS**  cis-150.116128.7-45-109000113.6
283T33.3Very low35Very low132 Ų132137.8 Ų137.881%0.8176%0.761SS**  trans24.8148.8141.4560000123
284S35.3Very low34.6Very low89 Ų89132.2 Ų132.262%0.62275%0.747SS**  cis-179.1177-6.6600000112
285R32.4Very low34.4Very low214 Ų214135.7 Ų135.781%0.80876%0.76SS**  trans69153.6161.6-68.1173.8-176.7-167.40.6117.3
286H33.9Very low34Very low166 Ų166136.9 Ų136.977%0.76977%0.765SS**  cis-131.6151.7-16.4-97-76.6000106.2
287G30Very low33.9Very low78 Ų78137.8 Ų137.880%0.80476%0.758SS**  81.4123.366.800000112.1
288G30.4Very low33.5Very low68 Ų68137.6 Ų137.670%0.70176%0.757SS**  cis168.8164.3-7.300000112.3
289H31.2Very low33.2Very low185 Ų185138.2 Ų138.286%0.85676%0.761SS**  trans58.9153.7165-77.3-104.1000119.6
290S33.7Very low32.8Very low89 Ų89143.5 Ų143.562%0.62276%0.763SS**  cis-168.5146.1-11.544.70000114.3
291E36.6Very low32.9Very low189 Ų189144.8 Ų144.888%0.88376%0.762SS**  trans69.6164.4141.5-70.9177.9-135.100124.1
292G31.9Very low32.7Very low68 Ų68147.2 Ų147.270%0.70177%0.765SS**  trans99.395-178.700000114.2
293R34.1Very low32.5Very low244 Ų244151.2 Ų151.292%0.92177%0.774SS**  44.5132.166.8-65.1-168.9-177.2-148.64.4114.5
294S32.7Very low32.4Very low81 Ų81149.2 Ų149.257%0.56677%0.765SS**  cis-174.6165.9-17.442.90000111.6
295H34Very low32.2Very low169 Ų169156.2 Ų156.278%0.78278%0.778SS**  trans71134.7151.165.3-120.6000125.1
296R30.1Very low32.1Very low230 Ų230150.8 Ų150.887%0.86877%0.772SS**  trans66.192.5141.5-84.2-172.9171.7178.1-1.1124.5
297S32.7Very low32.1Very low100 Ų100153.6 Ų153.670%0.69978%0.776SS**  73.5152.8108.573.40000124.6
298R30.9Very low32.3Very low230 Ų230154.7 Ų154.787%0.86877%0.771SS**  trans91.193.9162.2-69.8-177.9166.1152.6-4.7120.5
299S32Very low32.7Very low111 Ų111159.7 Ų159.778%0.77678%0.776SS**  63.1137.5114.5-55.90000124.2
300R32.3Very low33.1Very low234 Ų234163 Ų16388%0.88378%0.781SS**  trans83.585.3151-74.2178.6178.5167.7-0.9121.3
301S32.5Very low33.5Very low86 Ų86164.5 Ų164.560%0.60179%0.792SS**  78.7152.811455.70000124.3
302H31.9Very low33.9Very low169 Ų169166.8 Ų166.878%0.78279%0.792SS**  trans98.6118.5160.1-49.5-68.7000120
303R30.9Very low34.4Very low244 Ų244169.1 Ų169.192%0.92180%0.797SS**  trans52.9142.1151.5-69.8-176.7172-167-0.9119.1
304S31.1Very low34.8Very low89 Ų89168.9 Ų168.962%0.62280%0.797SS**  cis-177.3167.4-5.955.90000109.8
305R30.7Very low35.5Very low237 Ų237168.7 Ų168.789%0.89480%0.795SS**  trans69.6148.3173.4-61.2169.7168155.6-4.5113.6
306S31Very low36.2Very low99 Ų99171.4 Ų171.469%0.69280%0.798SS**  cis-160.2168.59-135.30000114.9
307R33.6Very low36.7Very low226 Ų226171.1 Ų171.185%0.85380%0.797SS**  trans74.9115.4153.5-70.3169.7177.6162.9-1122.2
308S33.9Very low37.3Very low101 Ų101169.2 Ų169.271%0.70678%0.784SS**  trans67.8156.6151.365.50000118.3
309H38Very low38Very low173 Ų173167.7 Ų167.780%0.80178%0.778SS**  cis-140.4126.29.4-18.3-108.4000111.2
310R40.8Very low38.7Very low255 Ų255171.4 Ų171.496%0.96278%0.776SS**  trans-156.450.2175.9-138.1176.8-164.5-154.24.3117.1
311S41.3Very low39.3Very low120 Ų120164.2 Ų164.284%0.83976%0.761SS**  trans-13334.7-169.349.90000117
312R45.3Very low40.1Very low237 Ų237169.2 Ų169.289%0.89477%0.767SS**SBendtrans-108.2-14.4175.7-85.4-178.4169.6169.7-2.6117.2
313S42.5Very low40.9Very low116 Ų116164 Ų16481%0.81175%0.75SS**SBendtrans-87.4-16.6-167-470000116.9
314R43.5Very low41.7Very low240 Ų240161.1 Ų161.191%0.90674%0.739SS**SBendtrans-85.7-23.2-172.6-72.6-177.3173.9171.2-2.6115.1
315S47.2Very low42.5Very low77 Ų77166.1 Ų166.154%0.53874%0.744SS.*Hα-helixtrans-67.4-41.1-174.5178.20000114.3R317 S318S315-R317 PolarHBondContact O-N 2.88Å; S315-S318 PolarHBondContact O-N 3.22Å
316R47Very low43.3Very low225 Ų225158.6 Ų158.685%0.84973%0.728SS**Hα-helixtrans-68.1-26.5-168.6-70.1-175.7175.5-177.8-1.9114.9
317R40.8Very low44.2Very low224 Ų224162.8 Ų162.885%0.84573%0.729SS**Hα-helixtrans-70.7-32.6176.2-85-170.8174.1-168-1.1113.1S315 S321S315-R317 PolarHBondContact O-N 2.88Å; R317-S321 PolarHBondContact O-OG 3.25Å
318S45.4Very low44.8Very low61 Ų61154.7 Ų154.743%0.42771%0.707SS.*Hα-helixtrans-63.4-47.2-177.1175.80000113.2S315 R320 S321 R322S315-S318 PolarHBondContact O-N 3.22Å; S318-R320 PolarHBondContact O-N 3.47Å; S318-S321 PolarHBondContact O-N 3.34Å; S318-R322 PolarHBondContact O-N 3.04Å
319R47.1Very low45.6Very low197 Ų197159 Ų15974%0.74371%0.707SS**Hα-helixtrans-64.2-35.7-175.1-66.3-173.9177.1-171.7-2.3113.1S321 S323R319-S321 VanDerWaalsContact C-N 3.35Å; R319-S321 PolarHBondContact O-N 2.93Å; R319-S323 PolarHBondContact O-N 2.96Å
320R46Very low46.2Very low190 Ų190160.1 Ų160.172%0.71770%0.704SS**Hα-helixtrans-67.8-33-179-151.9177.6-166-167.84.9112.5S318S318-R320 PolarHBondContact O-N 3.47Å
321S45.8Very low46.5Very low83 Ų83151.6 Ų151.658%0.5868%0.684SS**Hα-helixtrans-71.8-41.6178.5-55.80000112.8R317 S318 R319 S323 R324 R325R317-S321 PolarHBondContact O-OG 3.25Å; S318-S321 PolarHBondContact O-N 3.34Å; R319-S321 VanDerWaalsContact C-N 3.35Å; R319-S321 PolarHBondContact O-N 2.93Å; S321-S323 PolarHBondContact O-N 3Å; S321-R324 PolarHBondContact O-N 2.87Å; S321-R325 PolarHBondContact O-N 3.16Å
322R49.1Very low47.1Very low190 Ų190154.6 Ų154.672%0.71768%0.677SS**Hα-helixtrans-61.7-44.9177.5-69.4-175.6176-179.2-2.4111.6S318 R324 R325 S326S318-R322 PolarHBondContact O-N 3.04Å; R322-R324 PolarHBondContact O-N 2.87Å; R322-R325 PolarHBondContact O-N 3.21Å; R322-R325 VanDerWaalsContact O-N 3.15Å; R322-S326 PolarHBondContact O-N 3.17Å; R322-S326 PolarHBondContact O-OG 3.04Å
323S48.1Very low47.4Very low61 Ų61146.5 Ų146.543%0.42766%0.657SS.*Hα-helixtrans-56.1-43.1178.4-179.10000113.7R319 S321 S326 R327R319-S323 PolarHBondContact O-N 2.96Å; S321-S323 PolarHBondContact O-N 3Å; S323-S326 PolarHBondContact O-N 3.39Å; S323-R327 PolarHBondContact O-N 3.09Å
324R48.5Very low48Very low183 Ų183146.5 Ų146.569%0.69165%0.647SS**Hα-helixtrans-63.8-40.6177.1-74.7-178168-174.7-6.2112.4S321 R322 R327 S328S321-R324 PolarHBondContact O-N 2.87Å; R322-R324 PolarHBondContact O-N 2.87Å; R324-R327 PolarHBondContact O-N 3.2Å; R324-S328 PolarHBondContact O-N 3.28Å
325R47.4Very low48.6Very low193 Ų193139.9 Ų139.973%0.72863%0.63SS**Hα-helixtrans-66.9-36.7-179.4-143.6177.4-166.2-166.34.5112.1S321 R322 R329S321-R325 PolarHBondContact O-N 3.16Å; R322-R325 PolarHBondContact O-N 3.21Å; R322-R325 VanDerWaalsContact O-N 3.15Å; R325-R329 PolarHBondContact O-N 3.07Å
326S48Very low49.1Very low80 Ų80144 Ų14456%0.55964%0.638SS**Hα-helixtrans-67.7-42.5175.8-54.80000112.9R322 S323 R329 R330R322-S326 PolarHBondContact O-N 3.17Å; R322-S326 PolarHBondContact O-OG 3.04Å; S323-S326 PolarHBondContact O-N 3.39Å; S326-R329 PolarHBondContact O-N 3.02Å; S326-R330 PolarHBondContact O-N 3.39Å
327R49Very low49.7Very low187 Ų187136.5 Ų136.571%0.70662%0.62SS**Hα-helixtrans-61.5-45.5177.2-72.6-176.6176.4-173.9-2.5112S323 R324 R329 R330 S331S323-R327 PolarHBondContact O-N 3.09Å; R324-R327 PolarHBondContact O-N 3.2Å; R327-R329 VanDerWaalsContact C-N 3.27Å; R327-R329 PolarHBondContact O-N 2.82Å; R327-R330 PolarHBondContact O-N 3.03Å; R327-R330 VanDerWaalsContact O-N 3.11Å; R327-S331 PolarHBondContact O-N 3.43Å; R327-S331 PolarHBondContact O-OG 3.15Å
328S46.8Very low50.3Low56 Ų56134.3 Ų134.339%0.39261%0.613SS.*Hα-helixtrans-57.8-35.8177176.70000113.4R324 R332R324-S328 PolarHBondContact O-N 3.28Å; S328-R332 PolarHBondContact O-N 3.44Å
329R50.4Low50.9Low191 Ų191140.2 Ų140.272%0.72163%0.626SS**Hα-helixtrans-67.5-44.5174.1-74.6-177.5169.9-173.1-5.6112.2R325 S326 R327 S331 R332 S333R325-R329 PolarHBondContact O-N 3.07Å; S326-R329 PolarHBondContact O-N 3.02Å; R327-R329 VanDerWaalsContact C-N 3.27Å; R327-R329 PolarHBondContact O-N 2.82Å; R329-S331 PolarHBondContact O-N 3.4Å; R329-R332 PolarHBondContact O-N 2.92Å; R329-S333 PolarHBondContact O-N 3.12Å
330R49.6Very low51.5Low196 Ų196138 Ų13874%0.7462%0.623SS**Hα-helixtrans-66.7-33.5-179.7-156-179.9-166.6-160.74.9113S326 R327 S333 L334S326-R330 PolarHBondContact O-N 3.39Å; R327-R330 PolarHBondContact O-N 3.03Å; R327-R330 VanDerWaalsContact O-N 3.11Å; R330-S333 PolarHBondContact O-OG 2.71Å; R330-L334 WeakPolarHBondContact O-CG 3.42Å; R330-L334 PolarHBondContact O-N 3.33Å
331S48.6Very low52.2Low77 Ų77136 Ų13654%0.53862%0.62SS.*Hα-helixtrans-63.5-43.4172.5-57.70000112.2R327 R329 S333 L334 D335R327-S331 PolarHBondContact O-N 3.43Å; R327-S331 PolarHBondContact O-OG 3.15Å; R329-S331 PolarHBondContact O-N 3.4Å; S331-S333 VanDerWaalsContact C-N 3.35Å; S331-S333 PolarHBondContact O-N 3.36Å; S331-L334 PolarHBondContact O-N 2.86Å; S331-D335 PolarHBondContact O-N 3.36Å
332R52.3Low53Low183 Ų183138.8 Ų138.869%0.69162%0.622SS**Hα-helixtrans-70.8-24-179-73.5177.6173.1171.6-2.6114.1S328 R329S328-R332 PolarHBondContact O-N 3.44Å; R329-R332 PolarHBondContact O-N 2.92Å
333S53.2Low53.6Low66 Ų66135.6 Ų135.646%0.46262%0.615SS.*Hα-helixtrans-76-35.8172.951.30000112.8R329 R330 S331 S337R329-S333 PolarHBondContact O-N 3.12Å; R330-S333 PolarHBondContact O-OG 2.71Å; S331-S333 VanDerWaalsContact C-N 3.35Å; S331-S333 PolarHBondContact O-N 3.36Å; S333-S337 PolarHBondContact O-N 3.39Å; S333-S337 VanDerWaalsContact O-N 3.15Å
334L53.6Low54.3Low117 Ų117140.7 Ų140.761%0.61362%0.624SS**Hα-helixtrans-68.2-45.1178.7-69.6168.3000111.6R330 S331 K336 S337 Y338R330-L334 WeakPolarHBondContact O-CG 3.42Å; R330-L334 PolarHBondContact O-N 3.33Å; S331-L334 PolarHBondContact O-N 2.86Å; L334-K336 PolarHBondContact O-N 3.33Å; L334-S337 WeakPolarHBondContact O-CB 3.38Å; L334-S337 PolarHBondContact O-N 3.01Å; L334-S337 VanDerWaalsContact O-N 3.12Å; L334-Y338 PolarHBondContact O-N 3.31Å
335D57.1Low54.9Low101 Ų101137.9 Ų137.954%0.5462%0.619SS.*Hα-helixtrans-58.6-44.1177179.742.8000112.4S331 S337 Y338 R339S331-D335 PolarHBondContact O-N 3.36Å; D335-S337 PolarHBondContact O-N 3.34Å; D335-Y338 PolarHBondContact O-N 3.46Å; D335-R339 PolarHBondContact O-N 2.72Å
336K56.8Low55.5Low163 Ų163131.1 Ų131.171%0.70960%0.602SS**Hα-helixtrans-60-43.9172.6-79.4-165.3171.8-164.20112.8L334 H340L334-K336 PolarHBondContact O-N 3.33Å; K336-H340 WeakPolarHBondContact O-CB 3.23Å; K336-H340 PolarHBondContact O-N 2.97Å
337S60.8Low56.2Low68 Ų68135.7 Ų135.748%0.47661%0.607SS.*Hα-helixtrans-62.7-42.8178.1-175.10000111.8S333 L334 D335 H340 K341S333-S337 PolarHBondContact O-N 3.39Å; S333-S337 VanDerWaalsContact O-N 3.15Å; L334-S337 WeakPolarHBondContact O-CB 3.38Å; L334-S337 PolarHBondContact O-N 3.01Å; L334-S337 VanDerWaalsContact O-N 3.12Å; D335-S337 PolarHBondContact O-N 3.34Å; S337-H340 PolarHBondContact O-N 3.29Å; S337-K341 PolarHBondContact O-N 3.19Å
338Y53.8Low57Low177 Ų177130.6 Ų130.669%0.69459%0.591SS**Hα-helixtrans-65.8-45.6179.4-158.9-98.3000112.2L334 D335 H340 K341 K342L334-Y338 PolarHBondContact O-N 3.31Å; D335-Y338 PolarHBondContact O-N 3.46Å; Y338-H340 VanDerWaalsContact C-N 3.28Å; Y338-H340 PolarHBondContact O-N 3.05Å; Y338-K341 PolarHBondContact O-N 2.57Å; Y338-K342 PolarHBondContact O-N 3.05Å
339R56.1Low57.7Low186 Ų186137.3 Ų137.370%0.70261%0.608SS**Hα-helixtrans-59-39.4174.1-173178.9-75.5-142.2-2.1111.6D335 H343D335-R339 PolarHBondContact O-N 2.72Å; R339-H343 PolarHBondContact O-N 3.39Å; R339-H343 VanDerWaalsContact O-N 3.1Å
340H61.6Low58.3Low149 Ų149134 Ų13469%0.6960%0.6SS**Hα-helixtrans-72.3-34.9179.9-148.3-47.8000113.4K336 S337 Y338 R344K336-H340 WeakPolarHBondContact O-CB 3.23Å; K336-H340 PolarHBondContact O-N 2.97Å; S337-H340 PolarHBondContact O-N 3.29Å; Y338-H340 VanDerWaalsContact C-N 3.28Å; Y338-H340 PolarHBondContact O-N 3.05Å; H340-R344 PolarHBondContact O-N 3.1Å
341K60.8Low58.9Low149 Ų149128.5 Ų128.565%0.64859%0.592SS**Hα-helixtrans-64.6-47.5170.7-84.4-166.9172-170.70111.7S337 Y338 H343 R344 Q345S337-K341 PolarHBondContact O-N 3.19Å; Y338-K341 PolarHBondContact O-N 2.57Å; K341-H343 VanDerWaalsContact C-N 3.32Å; K341-H343 PolarHBondContact O-N 3.38Å; K341-R344 PolarHBondContact O-N 3.08Å; K341-Q345 PolarHBondContact O-N 3.28Å; K341-Q345 VanDerWaalsContact O-N 3.08Å
342K62Low59.4Low142 Ų142133.2 Ų133.262%0.61760%0.599SS**Hα-helixtrans-59.7-42.6179.3-169.9174.1-177.6178.80111.8Y338 R344 Q345 S346Y338-K342 PolarHBondContact O-N 3.05Å; K342-R344 VanDerWaalsContact C-N 3.3Å; K342-R344 PolarHBondContact O-N 2.97Å; K342-Q345 PolarHBondContact O-N 3.34Å; K342-S346 PolarHBondContact O-N 3.04Å
343H61.9Low59.8Low123 Ų123131.6 Ų131.657%0.56960%0.599SS**Hα-helixtrans-67.9-28.3180-152.6-35.1000113.5R339 K341 R347R339-H343 PolarHBondContact O-N 3.39Å; R339-H343 VanDerWaalsContact O-N 3.1Å; K341-H343 VanDerWaalsContact C-N 3.32Å; K341-H343 PolarHBondContact O-N 3.38Å; H343-R347 PolarHBondContact O-N 3.33Å
344R62.3Low60.1Low167 Ų167131.3 Ų131.363%0.6360%0.601SS**Hα-helixtrans-70.5-48.6172.2178.6172.5170.3159.24111.2H340 K341 K342 S346 R347 E348H340-R344 PolarHBondContact O-N 3.1Å; K341-R344 PolarHBondContact O-N 3.08Å; K342-R344 VanDerWaalsContact C-N 3.3Å; K342-R344 PolarHBondContact O-N 2.97Å; R344-S346 VanDerWaalsContact C-N 3.3Å; R344-S346 PolarHBondContact O-N 2.98Å; R344-R347 PolarHBondContact O-N 3.44Å; R344-R347 VanDerWaalsContact O-N 3.12Å; R344-E348 HydrophobicContact CG-CG 4.49Å; R344-E348 WeakPolarHBondContact CG-OE1 3.41Å; R344-E348 IonicContact CZ-OE1 3.9Å; R344-E348 IonicContact NE-OE1 2.63Å; R344-E348 PolarHBondContact NE-OE1 3.03Å; R344-E348 IonicContact NH2-OE1 2.75Å; R344-E348 PolarHBondContact NH2-OE1 3.12Å; R344-E348 PolarHBondContact O-N 3.36Å
345Q61.5Low60.3Low125 Ų125129.6 Ų129.658%0.58460%0.598SS**Hα-helixtrans-63.4-31.6178.6-74.4-177.1-3500113.6K341 K342 R349K341-Q345 PolarHBondContact O-N 3.28Å; K341-Q345 VanDerWaalsContact O-N 3.08Å; K342-Q345 PolarHBondContact O-N 3.34Å; Q345-R349 WeakPolarHBondContact O-CB 3.47Å; Q345-R349 WeakPolarHBondContact O-CG 3.5Å; Q345-R349 PolarHBondContact O-N 3.45Å
346S60.4Low60.3Low51 Ų51133.4 Ų133.436%0.35761%0.606SS.*Hα-helixtrans-62.3-48.5170.4-76.90000111.9K342 R344 E348 R349 E350K342-S346 PolarHBondContact O-N 3.04Å; R344-S346 VanDerWaalsContact C-N 3.3Å; R344-S346 PolarHBondContact O-N 2.98Å; S346-E348 VanDerWaalsContact C-N 3.34Å; S346-E348 PolarHBondContact O-N 3.12Å; S346-R349 PolarHBondContact O-N 3.48Å; S346-E350 WeakPolarHBondContact O-CB 3.33Å; S346-E350 WeakPolarHBondContact O-CG 3.46Å; S346-E350 PolarHBondContact O-N 3.42Å
347R62.4Low60.3Low176 Ų176136.5 Ų136.566%0.66461%0.614SS**Hα-helixtrans-63.6-38.2177.9-79.8-174.5165.6-167.7-4.8113H343 R344 E350 S351H343-R347 PolarHBondContact O-N 3.33Å; R344-R347 PolarHBondContact O-N 3.44Å; R344-R347 VanDerWaalsContact O-N 3.12Å; R347-E350 PolarHBondContact O-N 2.96Å; R347-S351 WeakPolarHBondContact O-CB 3.4Å; R347-S351 PolarHBondContact O-N 2.86Å
348E64.3Low60Low79 Ų79143.7 Ų143.737%0.36963%0.63SS.*Hα-helixtrans-63.7-43175.2-72.1163.7165.600110.4R344 S346 S351 Y352R344-E348 HydrophobicContact CG-CG 4.49Å; R344-E348 WeakPolarHBondContact CG-OE1 3.41Å; R344-E348 IonicContact CZ-OE1 3.9Å; R344-E348 IonicContact NE-OE1 2.63Å; R344-E348 PolarHBondContact NE-OE1 3.03Å; R344-E348 IonicContact NH2-OE1 2.75Å; R344-E348 PolarHBondContact NH2-OE1 3.12Å; R344-E348 PolarHBondContact O-N 3.36Å; S346-E348 VanDerWaalsContact C-N 3.34Å; S346-E348 PolarHBondContact O-N 3.12Å; E348-S351 PolarHBondContact O-N 3.45Å; E348-Y352 WeakPolarHBondContact O-CD2 3.36Å; E348-Y352 PolarHBondContact O-N 3.19Å; E348-Y352 VanDerWaalsContact O-N 3.12Å
349R61.8Low60.1Low198 Ų198143.4 Ų143.475%0.74764%0.635SS**Hα-helixtrans-65.6-42173.9-75.5176.2175.2-106.4-1.8113.6Q345 S346 S351 Y352 H353Q345-R349 WeakPolarHBondContact O-CB 3.47Å; Q345-R349 WeakPolarHBondContact O-CG 3.5Å; Q345-R349 PolarHBondContact O-N 3.45Å; S346-R349 PolarHBondContact O-N 3.48Å; R349-S351 VanDerWaalsContact C-N 3.32Å; R349-S351 PolarHBondContact O-N 3.21Å; R349-Y352 PolarHBondContact O-N 3.31Å; R349-H353 PolarHBondContact O-N 3Å
350E63.3Low59.8Low122 Ų122148.3 Ų148.357%0.5766%0.656SS**Hα-helixtrans-61-41.2175.8-74.2162.4176.300111.3S346 R347 H353 A354S346-E350 WeakPolarHBondContact O-CB 3.33Å; S346-E350 WeakPolarHBondContact O-CG 3.46Å; S346-E350 PolarHBondContact O-N 3.42Å; R347-E350 PolarHBondContact O-N 2.96Å; E350-H353 PolarHBondContact O-N 3.42Å; E350-A354 WeakPolarHBondContact O-CB 3.48Å; E350-A354 PolarHBondContact O-N 3.46Å
351S63.3Low59.7Low79 Ų79148.3 Ų148.355%0.55265%0.654SS**Hα-helixtrans-63-45.4175.7-166.90000112.5R347 E348 R349 H353 A354 S355R347-S351 WeakPolarHBondContact O-CB 3.4Å; R347-S351 PolarHBondContact O-N 2.86Å; E348-S351 PolarHBondContact O-N 3.45Å; R349-S351 VanDerWaalsContact C-N 3.32Å; R349-S351 PolarHBondContact O-N 3.21Å; S351-H353 PolarHBondContact O-N 3.35Å; S351-A354 PolarHBondContact O-N 3.49Å; S351-S355 PolarHBondContact O-N 3.36Å
352Y58.6Low59.6Low176 Ų176148.3 Ų148.369%0.6965%0.654SS**Hα-helixtrans-60.9-43.1174.7-94.7-94.9000112E348 R349 S355 Y356E348-Y352 WeakPolarHBondContact O-CD2 3.36Å; E348-Y352 PolarHBondContact O-N 3.19Å; E348-Y352 VanDerWaalsContact O-N 3.12Å; R349-Y352 PolarHBondContact O-N 3.31Å; Y352-S355 PolarHBondContact O-N 2.9Å; Y352-Y356 PolarHBondContact O-N 3.45Å
353H59.9Low59.5Low149 Ų149148.6 Ų148.669%0.6966%0.656SS**Hα-helixtrans-70.1-34.2-179.9-132.3-1.8000112.4R349 E350 S351 Y356 R357R349-H353 PolarHBondContact O-N 3Å; E350-H353 PolarHBondContact O-N 3.42Å; S351-H353 PolarHBondContact O-N 3.35Å; H353-Y356 PolarHBondContact O-N 3.22Å; H353-R357 PolarHBondContact O-N 3Å
354A59.3Low59.4Low61 Ų61150.1 Ų150.150%0.50466%0.661SS.*Hα-helixtrans-65.5-37.9172.200000112.6E350 S351 R357E350-A354 WeakPolarHBondContact O-CB 3.48Å; E350-A354 PolarHBondContact O-N 3.46Å; S351-A354 PolarHBondContact O-N 3.49Å; A354-R357 PolarHBondContact O-N 3.27Å
355S59.1Low59.2Low80 Ų80149.1 Ų149.156%0.55966%0.663SS**Hα-helixtrans-65-39.3176.3-163.90000112.3S351 Y352 R357 R358S351-S355 PolarHBondContact O-N 3.36Å; Y352-S355 PolarHBondContact O-N 2.9Å; S355-R357 PolarHBondContact O-N 3.41Å; S355-R358 PolarHBondContact O-N 2.61Å
356Y56.9Low59Low182 Ų182150.7 Ų150.771%0.71467%0.669SS**Hα-helixtrans-68.3-16.8176.3-95.5-92.2000113.5Y352 H353Y352-Y356 PolarHBondContact O-N 3.45Å; H353-Y356 PolarHBondContact O-N 3.22Å
357R56.8Low58.9Low227 Ų227157.8 Ų157.886%0.85769%0.691SS**THydrogen-bonded Turntrans-92.213.6-179.2-124.6-177.8-164.8177.75.4114.5H353 A354 S355H353-R357 PolarHBondContact O-N 3Å; A354-R357 PolarHBondContact O-N 3.27Å; S355-R357 PolarHBondContact O-N 3.41Å
358R54.7Low58.7Low219 Ų219156.4 Ų156.483%0.82669%0.693SS**THydrogen-bonded Turntrans-119.67.9176.7-76.2-171.8172.1-175.1-2.6114.1S355S355-R358 PolarHBondContact O-N 2.61Å
359H55.5Low58.2Low171 Ų171162.8 Ų162.879%0.79272%0.72SS**  trans-125.925.1-177-95.1-71.8000113.7
360Y49Very low57.9Low290 Ų290159.6 Ų159.6100%1.13772%0.717SS**  trans-139.70163.4-85.9-82.2000107.7

Retrieved 360 of 360 residues in 111.5 ms (Link to these results)

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