A0A5K4FC95_SCHMA Loading...

Sulfotransfer_1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 207 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
1M84.9Confident92.2Very high96 Ų9670.5 Ų70.547%0.47336%0.355SS..  0-58.60-65.7-169.5-69.100111.4L3 D4 R5 Q93M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.49Å; M1-D4 PolarHBondContact O-N 2.9Å; M1-R5 PolarHBondContact O-N 2.96Å; M1-Q93 HydrophobicContact CE-CB 3.96Å; M1-Q93 HydrophobicContact CE-CG 4.01Å
2E91.7Very high92.3Very high102 Ų10272.5 Ų72.548%0.47737%0.367SS..Hα-helixtrans-56.7-44.1179.9-171.9-175.4168.700113.7D4 R5 K6 L19E2-D4 PolarHBondContact O-N 3.42Å; E2-R5 PolarHBondContact O-N 3.35Å; E2-K6 HydrophobicContact CG-CD 4.48Å; E2-K6 HydrophobicContact CG-CG 4.47Å; E2-K6 WeakPolarHBondContact O-CG 3.26Å; E2-K6 PolarHBondContact O-N 3.29Å; E2-K6 WeakPolarHBondContact OE1-CE 3.39Å; E2-K6 IonicContact OE1-NZ 3.97Å; E2-L19 HydrophobicContact CB-CD2 4.32Å; E2-L19 HydrophobicContact CG-CD2 3.94Å
3L91.8Very high92.3Very high24 Ų2476 Ų7613%0.12638%0.378CS..Hα-helixtrans-58.8-46.4178.4-17367.4000112.3M1 K6 L7 L15 L19 I23M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.49Å; L3-K6 PolarHBondContact O-N 3.34Å; L3-L7 WeakPolarHBondContact O-CB 3.32Å; L3-L7 PolarHBondContact O-N 2.98Å; L3-L15 HydrophobicContact CD1-CD2 3.78Å; L3-L15 HydrophobicContact CD2-CD2 4.06Å; L3-L15 HydrophobicContact CG-CD2 3.78Å; L3-L19 HydrophobicContact CB-CD2 4.07Å; L3-L19 HydrophobicContact CD1-CD2 3.87Å; L3-L19 HydrophobicContact CD1-CG 4.16Å; L3-I23 HydrophobicContact CD1-CD1 4.5Å; L3-I23 HydrophobicContact CD2-CD1 4.29Å
4D91.1Very high92.4Very high22 Ų2277.9 Ų77.912%0.11838%0.383CS..Hα-helixtrans-64.6-44.1179.2-163.376.9000111.7M1 E2 K6 L7 N8 Y38 M100M1-D4 PolarHBondContact O-N 2.9Å; E2-D4 PolarHBondContact O-N 3.42Å; D4-K6 PolarHBondContact O-N 3.45Å; D4-L7 WeakPolarHBondContact O-CB 3.17Å; D4-L7 PolarHBondContact O-N 3.47Å; D4-N8 WeakPolarHBondContact O-CB 3.41Å; D4-N8 PolarHBondContact O-N 3.3Å; D4-N8 PolarHBondContact O-ND2 3.25Å; D4-N8 PolarHBondContact OD2-ND2 2.99Å; D4-Y38 WeakPolarHBondContact CB-OH 3.4Å; D4-Y38 PolarHBondContact OD1-OH 2.95Å; D4-M100 HydrophobicContact CB-CE 3.74Å; D4-M100 HydrophobicContact CB-SD 3.77Å
5R92.7Very high92.6Very high116 Ų11673.6 Ų73.644%0.43836%0.362SS..Hα-helixtrans-57.2-51.9175.2-174.8-172.466.7756.8111.2M1 E2 L7 N8 E9M1-R5 PolarHBondContact O-N 2.96Å; E2-R5 PolarHBondContact O-N 3.35Å; R5-L7 VanDerWaalsContact C-N 3.31Å; R5-L7 PolarHBondContact O-N 2.97Å; R5-N8 PolarHBondContact O-N 2.78Å; R5-E9 WeakPolarHBondContact CG-OE1 3.49Å; R5-E9 IonicContact CZ-OE1 3.71Å; R5-E9 IonicContact CZ-OE2 3.65Å; R5-E9 IonicContact NH1-OE1 3.26Å; R5-E9 PolarHBondContact NH1-OE1 3.02Å; R5-E9 IonicContact NH1-OE2 2.68Å; R5-E9 PolarHBondContact NH1-OE2 3.44Å; R5-E9 WeakPolarHBondContact O-CB 3.27Å; R5-E9 WeakPolarHBondContact O-CG 3.27Å; R5-E9 PolarHBondContact O-N 3.37Å
6K94.3Very high92.8Very high56 Ų5672 Ų7224%0.24336%0.356CS..Hα-helixtrans-62.2-38178.7-73.7-167.9172-168.80112.5E2 L3 D4 E9 S10 D16 L19E2-K6 HydrophobicContact CG-CD 4.48Å; E2-K6 HydrophobicContact CG-CG 4.47Å; E2-K6 WeakPolarHBondContact O-CG 3.26Å; E2-K6 PolarHBondContact O-N 3.29Å; E2-K6 WeakPolarHBondContact OE1-CE 3.39Å; E2-K6 IonicContact OE1-NZ 3.97Å; L3-K6 PolarHBondContact O-N 3.34Å; D4-K6 PolarHBondContact O-N 3.45Å; K6-E9 PolarHBondContact O-N 2.86Å; K6-S10 WeakPolarHBondContact O-CB 3.24Å; K6-S10 PolarHBondContact O-N 3.26Å; K6-D16 HydrophobicContact CB-CB 4.32Å; K6-D16 HydrophobicContact CD-CB 3.69Å; K6-D16 VanDerWaalsContact CD-OD2 3.32Å; K6-D16 WeakPolarHBondContact CD-OD2 3.48Å; K6-D16 IonicContact NZ-OD1 2.9Å; K6-D16 IonicContact NZ-OD2 3.35Å; K6-D16 PolarHBondContact NZ-OD2 2.9Å; K6-L19 HydrophobicContact CD-CD2 4.03Å
7L94Very high93Very high4 Ų475.2 Ų75.22%0.02137%0.367CS..Hα-helixtrans-63.4-43.2175.1178.364.3000111.7L3 D4 R5 S10 K13 K14 L15 Y38 E41L3-L7 WeakPolarHBondContact O-CB 3.32Å; L3-L7 PolarHBondContact O-N 2.98Å; D4-L7 WeakPolarHBondContact O-CB 3.17Å; D4-L7 PolarHBondContact O-N 3.47Å; R5-L7 VanDerWaalsContact C-N 3.31Å; R5-L7 PolarHBondContact O-N 2.97Å; L7-S10 PolarHBondContact O-N 3.24Å; L7-K13 VanDerWaalsContact CD1-O 3.24Å; L7-K13 WeakPolarHBondContact CD1-O 3.22Å; L7-K14 VanDerWaalsContact CD1-C 3.46Å; L7-L15 HydrophobicContact CB-CD2 4.36Å; L7-L15 HydrophobicContact CD1-CD2 4.2Å; L7-L15 HydrophobicContact CD1-CG 4.48Å; L7-L15 HydrophobicContact CD2-CD2 4.09Å; L7-L15 HydrophobicContact CG-CD2 4.46Å; L7-Y38 HydrophobicContact CD2-CD1 3.78Å; L7-Y38 HydrophobicContact CD2-CE1 3.74Å; L7-E41 HydrophobicContact CD1-CG 4.13Å; L7-E41 HydrophobicContact CD2-CG 4.47Å
8N92.1Very high93.1Very high86 Ų8675 Ų7546%0.4638%0.38SS..Hα-helixtrans-69-35.7179.7-71.4-32.9000112.5D4 R5 K13D4-N8 WeakPolarHBondContact O-CB 3.41Å; D4-N8 PolarHBondContact O-N 3.3Å; D4-N8 PolarHBondContact O-ND2 3.25Å; D4-N8 PolarHBondContact OD2-ND2 2.99Å; R5-N8 PolarHBondContact O-N 2.78Å; N8-K13 PolarHBondContact O-NZ 2.65Å
9E94.6Very high93.3Very high119 Ų11972.1 Ų72.156%0.55637%0.365SS*.Hα-helixtrans-77.5-18.4175.8-69.6169.6-172.400113.7R5 K6 P11R5-E9 WeakPolarHBondContact CG-OE1 3.49Å; R5-E9 IonicContact CZ-OE1 3.71Å; R5-E9 IonicContact CZ-OE2 3.65Å; R5-E9 IonicContact NH1-OE1 3.26Å; R5-E9 PolarHBondContact NH1-OE1 3.02Å; R5-E9 IonicContact NH1-OE2 2.68Å; R5-E9 PolarHBondContact NH1-OE2 3.44Å; R5-E9 WeakPolarHBondContact O-CB 3.27Å; R5-E9 WeakPolarHBondContact O-CG 3.27Å; R5-E9 PolarHBondContact O-N 3.37Å; K6-E9 PolarHBondContact O-N 2.86Å; E9-P11 WeakPolarHBondContact O-CD 3.33Å
10S93.5Very high93.4Very high17 Ų1768.5 Ų68.512%0.11935%0.347CS..  trans-66.5127.1179.2146.80000110.7K6 L7 D12 K13 K14K6-S10 WeakPolarHBondContact O-CB 3.24Å; K6-S10 PolarHBondContact O-N 3.26Å; L7-S10 PolarHBondContact O-N 3.24Å; S10-D12 PolarHBondContact O-N 2.96Å; S10-D12 PolarHBondContact OG-N 3.26Å; S10-D12 PolarHBondContact OG-OD1 3.39Å; S10-K13 PolarHBondContact O-N 2.7Å; S10-K13 WeakPolarHBondContact OG-CA 3.47Å; S10-K13 PolarHBondContact OG-N 3.25Å; S10-K14 PolarHBondContact OG-N 3.48Å; S10-K14 PolarHBondContact OG-O 3.39Å
11P93.5Very high93.5Very high134 Ų13469.3 Ų69.387%0.8735%0.349SS*.THydrogen-bonded Turntrans-61.7-31.9177.5-24.334000113.6E9E9-P11 WeakPolarHBondContact O-CD 3.33Å
12D93.4Very high94.1Very high94 Ų9472.6 Ų72.650%0.50336%0.361SS..THydrogen-bonded Turntrans-985.2-178.464.3-25000113.6S10 K14S10-D12 PolarHBondContact O-N 2.96Å; S10-D12 PolarHBondContact OG-N 3.26Å; S10-D12 PolarHBondContact OG-OD1 3.39Å; D12-K14 HydrophobicContact CB-CG 4.33Å; D12-K14 PolarHBondContact O-N 2.94Å; D12-K14 WeakPolarHBondContact OD2-CD 3.49Å; D12-K14 WeakPolarHBondContact OD2-CE 3.29Å; D12-K14 WeakPolarHBondContact OD2-CG 3.31Å; D12-K14 IonicContact OD2-NZ 3.98Å
13K92.3Very high94.3Very high118 Ų11871.5 Ų71.551%0.51336%0.357SS..  trans53.738.5-177.9-59-61.4-179-175.40113.3L7 N8 S10L7-K13 VanDerWaalsContact CD1-O 3.24Å; L7-K13 WeakPolarHBondContact CD1-O 3.22Å; N8-K13 PolarHBondContact O-NZ 2.65Å; S10-K13 PolarHBondContact O-N 2.7Å; S10-K13 WeakPolarHBondContact OG-CA 3.47Å; S10-K13 PolarHBondContact OG-N 3.25Å
14K94.1Very high94.5Very high103 Ų10372.3 Ų72.345%0.44836%0.36SS..  trans-104.5151.7176.4-64.5-166.9-169.5159.50112.3L7 S10 D12L7-K14 VanDerWaalsContact CD1-C 3.46Å; S10-K14 PolarHBondContact OG-N 3.48Å; S10-K14 PolarHBondContact OG-O 3.39Å; D12-K14 HydrophobicContact CB-CG 4.33Å; D12-K14 PolarHBondContact O-N 2.94Å; D12-K14 WeakPolarHBondContact OD2-CD 3.49Å; D12-K14 WeakPolarHBondContact OD2-CE 3.29Å; D12-K14 WeakPolarHBondContact OD2-CG 3.31Å; D12-K14 IonicContact OD2-NZ 3.98Å
15L95.2Very high94.8Very high13 Ų1379.5 Ų79.57%0.06839%0.39CS..  trans-67.4141173.3-67.5169.4000110.6L3 L7 K17 Y38 E41 L42L3-L15 HydrophobicContact CD1-CD2 3.78Å; L3-L15 HydrophobicContact CD2-CD2 4.06Å; L3-L15 HydrophobicContact CG-CD2 3.78Å; L7-L15 HydrophobicContact CB-CD2 4.36Å; L7-L15 HydrophobicContact CD1-CD2 4.2Å; L7-L15 HydrophobicContact CD1-CG 4.48Å; L7-L15 HydrophobicContact CD2-CD2 4.09Å; L7-L15 HydrophobicContact CG-CD2 4.46Å; L15-K17 PolarHBondContact O-N 3.19Å; L15-Y38 HydrophobicContact CD2-CD1 4.01Å; L15-E41 HydrophobicContact CD1-CB 3.49Å; L15-E41 VanDerWaalsContact CD1-CB 3.49Å; L15-E41 HydrophobicContact CD2-CB 4.36Å; L15-E41 HydrophobicContact CG-CB 3.5Å; L15-E41 HydrophobicContact CG-CG 4.32Å; L15-L42 HydrophobicContact CD1-CD2 3.86Å; L15-L42 HydrophobicContact CD1-CG 4.01Å
16D96Very high95Very high48 Ų4877.9 Ų77.926%0.25741%0.41SS..  trans-62.3108.4169.2-179.3-60.5000109.5K6 A18 L19 C20K6-D16 HydrophobicContact CB-CB 4.32Å; K6-D16 HydrophobicContact CD-CB 3.69Å; K6-D16 VanDerWaalsContact CD-OD2 3.32Å; K6-D16 WeakPolarHBondContact CD-OD2 3.48Å; K6-D16 IonicContact NZ-OD1 2.9Å; K6-D16 IonicContact NZ-OD2 3.35Å; K6-D16 PolarHBondContact NZ-OD2 2.9Å; D16-A18 VanDerWaalsContact C-N 3.32Å; D16-A18 PolarHBondContact O-N 2.78Å; D16-A18 PolarHBondContact OD1-N 3.47Å; D16-A18 VanDerWaalsContact OD1-N 3.11Å; D16-L19 HydrophobicContact CB-CB 4Å; D16-L19 PolarHBondContact O-N 3.07Å; D16-L19 WeakPolarHBondContact OD1-CB 3.45Å; D16-L19 PolarHBondContact OD1-N 3.4Å; D16-C20 PolarHBondContact O-N 3.4Å
17K95.5Very high95.2Very high126 Ų12683.3 Ų83.355%0.54843%0.43SS..Hα-helixtrans-58.4-41.3-175.5174.9162.4-173.41770112.8L15 C20 H21 L45L15-K17 PolarHBondContact O-N 3.19Å; K17-C20 PolarHBondContact O-N 2.88Å; K17-H21 WeakPolarHBondContact CE-CE1 3.44Å; K17-H21 WeakPolarHBondContact O-CB 3.46Å; K17-H21 PolarHBondContact O-N 2.83Å; K17-L45 HydrophobicContact CB-CD1 3.96Å; K17-L45 HydrophobicContact CD-CD1 3.89Å; K17-L45 HydrophobicContact CG-CD1 3.78Å
18A96.2Very high95.2Very high72 Ų7290.4 Ų90.460%0.59547%0.474SS*.Hα-helixtrans-67.3-41.6-178.500000111.3D16 H21 K22D16-A18 VanDerWaalsContact C-N 3.32Å; D16-A18 PolarHBondContact O-N 2.78Å; D16-A18 PolarHBondContact OD1-N 3.47Å; D16-A18 VanDerWaalsContact OD1-N 3.11Å; A18-H21 PolarHBondContact O-N 2.83Å; A18-K22 WeakPolarHBondContact O-CB 3.13Å; A18-K22 PolarHBondContact O-N 3.39Å
19L96.3Very high95.5Very high19 Ų1989.7 Ų89.710%0.09948%0.48CS..Hα-helixtrans-66.4-44.7176-177.957.7000111.3E2 L3 K6 D16 K22 I23E2-L19 HydrophobicContact CB-CD2 4.32Å; E2-L19 HydrophobicContact CG-CD2 3.94Å; L3-L19 HydrophobicContact CB-CD2 4.07Å; L3-L19 HydrophobicContact CD1-CD2 3.87Å; L3-L19 HydrophobicContact CD1-CG 4.16Å; K6-L19 HydrophobicContact CD-CD2 4.03Å; D16-L19 HydrophobicContact CB-CB 4Å; D16-L19 PolarHBondContact O-N 3.07Å; D16-L19 WeakPolarHBondContact OD1-CB 3.45Å; D16-L19 PolarHBondContact OD1-N 3.4Å; L19-K22 WeakPolarHBondContact O-CB 3.29Å; L19-K22 PolarHBondContact O-N 2.91Å; L19-I23 HydrophobicContact CD1-CD1 4.08Å; L19-I23 HydrophobicContact CD1-CG1 4.3Å; L19-I23 HydrophobicContact CG-CD1 3.88Å; L19-I23 VanDerWaalsContact O-CG1 3.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.48Å; L19-I23 PolarHBondContact O-N 3.18Å
20C96.1Very high95.6Very high0 Ų086.4 Ų86.40%047%0.472CS..Hα-helixtrans-59.2-47.2174.4-80.90000112.1D16 K17 K22 I23 F24 L45D16-C20 PolarHBondContact O-N 3.4Å; K17-C20 PolarHBondContact O-N 2.88Å; C20-K22 PolarHBondContact O-N 3.49Å; C20-I23 PolarHBondContact O-N 3.48Å; C20-F24 HydrophobicContact CB-CD2 4.38Å; C20-F24 VanDerWaalsContact O-CD2 3.23Å; C20-F24 WeakPolarHBondContact O-CD2 3.44Å; C20-F24 PolarHBondContact O-N 2.93Å; C20-L45 HydrophobicContact CB-CD2 3.32Å
21H95.5Very high95.7Very high86 Ų8692.5 Ų92.540%0.39850%0.502SS..Hα-helixtrans-62.1-32.8176.4-74.1-179.4000112.5K17 A18 K25K17-H21 WeakPolarHBondContact CE-CE1 3.44Å; K17-H21 WeakPolarHBondContact O-CB 3.46Å; K17-H21 PolarHBondContact O-N 2.83Å; A18-H21 PolarHBondContact O-N 2.83Å; H21-K25 WeakPolarHBondContact O-CA 3.39Å; H21-K25 VanDerWaalsContact O-CB 3.31Å; H21-K25 WeakPolarHBondContact O-CB 3.32Å; H21-K25 PolarHBondContact O-N 3.46Å; H21-K25 VanDerWaalsContact O-N 3.13Å
22K96.8Very high95.7Very high166 Ų16691.2 Ų91.272%0.72249%0.488SS*.Hα-helixtrans-68.2-44.6173.3-177.3-178.9176.8-176.50111.7A18 L19 C20A18-K22 WeakPolarHBondContact O-CB 3.13Å; A18-K22 PolarHBondContact O-N 3.39Å; L19-K22 WeakPolarHBondContact O-CB 3.29Å; L19-K22 PolarHBondContact O-N 2.91Å; C20-K22 PolarHBondContact O-N 3.49Å
23I95.6Very high95.7Very high79 Ų7989.5 Ų89.541%0.40548%0.477SS..Hα-helixtrans-65.4-46.9-179.3-69.5166.5000111L3 L19 C20L3-I23 HydrophobicContact CD1-CD1 4.5Å; L3-I23 HydrophobicContact CD2-CD1 4.29Å; L19-I23 HydrophobicContact CD1-CD1 4.08Å; L19-I23 HydrophobicContact CD1-CG1 4.3Å; L19-I23 HydrophobicContact CG-CD1 3.88Å; L19-I23 VanDerWaalsContact O-CG1 3.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.48Å; L19-I23 PolarHBondContact O-N 3.18Å; C20-I23 PolarHBondContact O-N 3.48Å
24F96.2Very high95.7Very high40 Ų4086.8 Ų86.818%0.17547%0.471CS..SBendtrans-94.79.2-173.5-61.5-67.6000113.8C20 G26 Y27 A30 L42C20-F24 HydrophobicContact CB-CD2 4.38Å; C20-F24 VanDerWaalsContact O-CD2 3.23Å; C20-F24 WeakPolarHBondContact O-CD2 3.44Å; C20-F24 PolarHBondContact O-N 2.93Å; F24-G26 PolarHBondContact O-N 3.1Å; F24-G26 VanDerWaalsContact O-N 3.11Å; F24-Y27 PolarHBondContact O-N 2.8Å; F24-A30 HydrophobicContact CD1-CB 4.27Å; F24-A30 HydrophobicContact CE1-CB 3.68Å; F24-A30 HydrophobicContact CZ-CB 4.41Å; F24-L42 HydrophobicContact CD2-CD2 4.41Å; F24-L42 HydrophobicContact CE2-CD2 3.66Å; F24-L42 HydrophobicContact CZ-CD1 4.42Å; F24-L42 HydrophobicContact CZ-CD2 4.13Å
25K96.8Very high95.8Very high174 Ų17482.6 Ų82.676%0.75746%0.455SS*.THydrogen-bonded Turntrans-56.3120180-169.1178.8177.8-178.50110.7H21 Y27H21-K25 WeakPolarHBondContact O-CA 3.39Å; H21-K25 VanDerWaalsContact O-CB 3.31Å; H21-K25 WeakPolarHBondContact O-CB 3.32Å; H21-K25 PolarHBondContact O-N 3.46Å; H21-K25 VanDerWaalsContact O-N 3.13Å; K25-Y27 VanDerWaalsContact C-N 3.32Å
26G97.3Very high95.8Very high82 Ų8283.9 Ų83.985%0.84547%0.465SS*.THydrogen-bonded Turntrans84.3-1.417800000115.1F24F24-G26 PolarHBondContact O-N 3.1Å; F24-G26 VanDerWaalsContact O-N 3.11Å
27Y97.5Very high95.8Very high169 Ų16981.9 Ų81.966%0.66346%0.455SS*.  trans-95.7144.7173.5-64.5-89.8000110.6F24 K25F24-Y27 PolarHBondContact O-N 2.8Å; K25-Y27 VanDerWaalsContact C-N 3.32Å
28T95.9Very high95.8Very high154 Ų15476.3 Ų76.395%0.94543%0.431SS*.SBendtrans-105.2-11.3176.854.30000113.1
29A97.2Very high95.8Very high71 Ų7174 Ų7459%0.58741%0.406SS*.  trans-148.2157.317900000110.3
30A96.9Very high95.7Very high49 Ų4977.2 Ų77.241%0.40542%0.42SS..  trans-128.3133.8172.300000108.8F24F24-A30 HydrophobicContact CD1-CB 4.27Å; F24-A30 HydrophobicContact CE1-CB 3.68Å; F24-A30 HydrophobicContact CZ-CB 4.41Å
31I95.4Very high95.7Very high146 Ų14678.6 Ų78.675%0.74943%0.426SS*.  trans-134.5159.2-178.564.7171.9000109.7S35I31-S35 VanDerWaalsContact C-OG 3.3Å; I31-S35 PolarHBondContact N-OG 3.05Å; I31-S35 PolarHBondContact O-OG 3.19Å
32D93.9Very high95.7Very high106 Ų10675.7 Ų75.757%0.56741%0.413SS*.SBendtrans59.1176.8173.4-154.90.3000114.3S35 C36D32-S35 PolarHBondContact O-N 2.71Å; D32-S35 PolarHBondContact O-OG 3.01Å; D32-C36 VanDerWaalsContact C-SG 3.57Å; D32-C36 PolarHBondContact O-N 2.97Å
33H92.5Very high95.7Very high59 Ų5968.8 Ų68.827%0.27338%0.384SS..THydrogen-bonded Turntrans-65.4141.3171.4-71.3-80.5000110.8
34P93.2Very high95.6Very high61 Ų6170.9 Ų70.940%0.39639%0.392SS..THydrogen-bonded Turncis-82.4-18332.5-36.3000114.4C36 A37 Y38 N101P34-C36 VanDerWaalsContact C-N 3.33Å; P34-C36 PolarHBondContact O-N 3.04Å; P34-A37 WeakPolarHBondContact O-CB 3.2Å; P34-A37 PolarHBondContact O-N 3.2Å; P34-A37 VanDerWaalsContact O-N 3.09Å; P34-Y38 HydrophobicContact CB-CE2 4.4Å; P34-Y38 VanDerWaalsContact O-CD2 3.31Å; P34-Y38 WeakPolarHBondContact O-CD2 3.32Å; P34-N101 WeakPolarHBondContact CA-OD1 3.44Å; P34-N101 VanDerWaalsContact CB-CG 3.48Å; P34-N101 WeakPolarHBondContact CB-ND2 3.4Å; P34-N101 WeakPolarHBondContact CB-OD1 3.4Å; P34-N101 PolarHBondContact O-OD1 2.84Å
35S94.9Very high95.6Very high15 Ų1570.5 Ų70.511%0.10539%0.392CS..G310 helixtrans-58.2-38.9-166.171.50000114.5I31 D32 A37 Y38I31-S35 VanDerWaalsContact C-OG 3.3Å; I31-S35 PolarHBondContact N-OG 3.05Å; I31-S35 PolarHBondContact O-OG 3.19Å; D32-S35 PolarHBondContact O-N 2.71Å; D32-S35 PolarHBondContact O-OG 3.01Å; S35-A37 PolarHBondContact O-N 3.03Å; S35-A37 VanDerWaalsContact O-N 3.16Å; S35-Y38 PolarHBondContact O-N 2.89Å
36C96Very high95.6Very high40 Ų4065.6 Ų65.627%0.2737%0.369SS..G310 helixtrans-61.6-26.6-178.868.60000113.2D32 P34 Y38 Y39D32-C36 VanDerWaalsContact C-SG 3.57Å; D32-C36 PolarHBondContact O-N 2.97Å; P34-C36 VanDerWaalsContact C-N 3.33Å; P34-C36 PolarHBondContact O-N 3.04Å; C36-Y38 PolarHBondContact O-N 3.11Å; C36-Y39 WeakPolarHBondContact O-CD1 3.45Å; C36-Y39 PolarHBondContact O-N 3.3Å
37A95.4Very high95.5Very high6 Ų665.7 Ų65.75%0.0536%0.355CS..G310 helixtrans-71.9-12.417900000113.2P34 S35 N101 R104 V105P34-A37 WeakPolarHBondContact O-CB 3.2Å; P34-A37 PolarHBondContact O-N 3.2Å; P34-A37 VanDerWaalsContact O-N 3.09Å; S35-A37 PolarHBondContact O-N 3.03Å; S35-A37 VanDerWaalsContact O-N 3.16Å; A37-N101 WeakPolarHBondContact CB-OD1 3.31Å; A37-R104 HydrophobicContact CB-CB 4.41Å; A37-R104 HydrophobicContact CB-CG 4.21Å; A37-R104 PolarHBondContact O-NE 2.78Å; A37-V105 HydrophobicContact CB-CG2 3.64Å
38Y95.7Very high95.4Very high9 Ų965 Ų654%0.03536%0.363CS..G310 helixtrans-115.519.8-178-57.8-87.9000112.3D4 L7 L15 P34 S35 C36 K40 E41 L42 M100 R104D4-Y38 WeakPolarHBondContact CB-OH 3.4Å; D4-Y38 PolarHBondContact OD1-OH 2.95Å; L7-Y38 HydrophobicContact CD2-CD1 3.78Å; L7-Y38 HydrophobicContact CD2-CE1 3.74Å; L15-Y38 HydrophobicContact CD2-CD1 4.01Å; P34-Y38 HydrophobicContact CB-CE2 4.4Å; P34-Y38 VanDerWaalsContact O-CD2 3.31Å; P34-Y38 WeakPolarHBondContact O-CD2 3.32Å; S35-Y38 PolarHBondContact O-N 2.89Å; C36-Y38 PolarHBondContact O-N 3.11Å; Y38-K40 PolarHBondContact O-N 3.5Å; Y38-E41 WeakPolarHBondContact CA-OE2 3.24Å; Y38-E41 PolarHBondContact O-N 2.92Å; Y38-L42 WeakPolarHBondContact O-CB 3.04Å; Y38-L42 VanDerWaalsContact O-CG 3.24Å; Y38-L42 WeakPolarHBondContact O-CG 3.5Å; Y38-L42 PolarHBondContact O-N 3.05Å; Y38-M100 WeakPolarHBondContact OH-CE 3.49Å; Y38-R104 VanDerWaalsContact CE1-NE 3.34Å
39Y96.2Very high95.5Very high23 Ų2359.5 Ų59.59%0.0933%0.332CS..Hα-helixtrans-57.2-35.1-173.277.3-84.9000113C36 L42 L43 W125 V129 T132 V133C36-Y39 WeakPolarHBondContact O-CD1 3.45Å; C36-Y39 PolarHBondContact O-N 3.3Å; Y39-L42 PolarHBondContact O-N 3.3Å; Y39-L43 HydrophobicContact CD2-CD1 4.31Å; Y39-L43 VanDerWaalsContact O-CG 3.25Å; Y39-L43 WeakPolarHBondContact O-CG 3.45Å; Y39-L43 PolarHBondContact O-N 3.37Å; Y39-W125 AromaticContact CD1-CH2 3.59Å; Y39-W125 HydrophobicContact CD1-CH2 3.59Å; Y39-W125 AromaticContact CD1-CZ2 3.96Å; Y39-W125 HydrophobicContact CD1-CZ2 3.96Å; Y39-W125 AromaticContact CE1-CH2 3.43Å; Y39-W125 HydrophobicContact CE1-CH2 3.43Å; Y39-W125 VanDerWaalsContact CE1-CH2 3.43Å; Y39-W125 AromaticContact CE1-CZ2 3.97Å; Y39-W125 HydrophobicContact CE1-CZ2 3.97Å; Y39-W125 AromaticContact CE1-CZ3 3.96Å; Y39-W125 HydrophobicContact CE1-CZ3 3.96Å; Y39-V129 HydrophobicContact CE1-CG2 3.89Å; Y39-V129 HydrophobicContact CE2-CG1 4.37Å; Y39-V129 HydrophobicContact CE2-CG2 4.39Å; Y39-T132 HydrophobicContact CE2-CG2 4.35Å; Y39-T132 PolarHBondContact OH-OG1 3.48Å; Y39-V133 HydrophobicContact CD2-CG2 3.92Å; Y39-V133 HydrophobicContact CE2-CG2 3.65Å
40K95.1Very high95.5Very high87 Ų8760.1 Ų60.138%0.37832%0.322SS..Hα-helixtrans-64.3-53-180-60.9-173.4-174.5-166.90110.5Y38 L42 L43 E44 T132Y38-K40 PolarHBondContact O-N 3.5Å; K40-L42 VanDerWaalsContact C-N 3.28Å; K40-L42 PolarHBondContact O-N 3.37Å; K40-L43 PolarHBondContact O-N 3.44Å; K40-L43 VanDerWaalsContact O-N 3.14Å; K40-E44 PolarHBondContact O-N 3.45Å; K40-T132 HydrophobicContact CD-CG2 3.92Å; K40-T132 HydrophobicContact CG-CG2 4.04Å
41E95.7Very high95.6Very high29 Ų2958.8 Ų58.814%0.13631%0.309CS..Hα-helixtrans-69.8-29.6-178.5-5784.2172.400112L7 L15 Y38 E44 L45 R104L7-E41 HydrophobicContact CD1-CG 4.13Å; L7-E41 HydrophobicContact CD2-CG 4.47Å; L15-E41 HydrophobicContact CD1-CB 3.49Å; L15-E41 VanDerWaalsContact CD1-CB 3.49Å; L15-E41 HydrophobicContact CD2-CB 4.36Å; L15-E41 HydrophobicContact CG-CB 3.5Å; L15-E41 HydrophobicContact CG-CG 4.32Å; Y38-E41 WeakPolarHBondContact CA-OE2 3.24Å; Y38-E41 PolarHBondContact O-N 2.92Å; E41-E44 PolarHBondContact O-N 3.42Å; E41-L45 WeakPolarHBondContact O-CB 3.47Å; E41-L45 PolarHBondContact O-N 2.97Å; E41-R104 IonicContact OE1-CZ 3.67Å; E41-R104 IonicContact OE1-NH2 3.2Å; E41-R104 PolarHBondContact OE1-NH2 3.11Å; E41-R104 IonicContact OE2-NH2 3.7Å; E41-R104 PolarHBondContact OE2-NH2 3.36Å
42L96.4Very high95.7Very high24 Ų2455.1 Ų55.113%0.12629%0.29CS..Hα-helixtrans-67.1-37.3171.4-71.6170.8000112L15 F24 Y38 Y39 K40 E44 L45 Y46L15-L42 HydrophobicContact CD1-CD2 3.86Å; L15-L42 HydrophobicContact CD1-CG 4.01Å; F24-L42 HydrophobicContact CD2-CD2 4.41Å; F24-L42 HydrophobicContact CE2-CD2 3.66Å; F24-L42 HydrophobicContact CZ-CD1 4.42Å; F24-L42 HydrophobicContact CZ-CD2 4.13Å; Y38-L42 WeakPolarHBondContact O-CB 3.04Å; Y38-L42 VanDerWaalsContact O-CG 3.24Å; Y38-L42 WeakPolarHBondContact O-CG 3.5Å; Y38-L42 PolarHBondContact O-N 3.05Å; Y39-L42 PolarHBondContact O-N 3.3Å; K40-L42 VanDerWaalsContact C-N 3.28Å; K40-L42 PolarHBondContact O-N 3.37Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.03Å; L42-L45 PolarHBondContact O-N 3.32Å; L42-Y46 HydrophobicContact CD2-CD2 4.32Å; L42-Y46 HydrophobicContact CD2-CE2 3.99Å; L42-Y46 WeakPolarHBondContact O-CB 3.44Å; L42-Y46 WeakPolarHBondContact O-CD2 3.38Å; L42-Y46 PolarHBondContact O-N 2.94Å
43L95.8Very high95.9Very high21 Ų2150.6 Ų50.611%0.1127%0.266CS..Hα-helixtrans-68.4-30.1175.6-73172.2000113.2Y39 K40 Y46 A49 V51 V133Y39-L43 HydrophobicContact CD2-CD1 4.31Å; Y39-L43 VanDerWaalsContact O-CG 3.25Å; Y39-L43 WeakPolarHBondContact O-CG 3.45Å; Y39-L43 PolarHBondContact O-N 3.37Å; K40-L43 PolarHBondContact O-N 3.44Å; K40-L43 VanDerWaalsContact O-N 3.14Å; L43-Y46 CarbonylContact O-C 3.43Å; L43-A49 HydrophobicContact CD2-CB 4.42Å; L43-V51 HydrophobicContact CD1-CG2 3.65Å; L43-V51 HydrophobicContact CD2-CG2 3.53Å; L43-V51 HydrophobicContact CG-CG2 3.91Å; L43-V133 HydrophobicContact CD1-CG1 4.06Å; L43-V133 HydrophobicContact CD1-CG2 3.95Å
44E94.8Very high96.2Very high123 Ų12351.6 Ų51.658%0.57528%0.276SS*.Hα-helixtrans-69.3-40.6171-68.8-178.1-163.500111.5K40 E41 L42K40-E44 PolarHBondContact O-N 3.45Å; E41-E44 PolarHBondContact O-N 3.42Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.03Å
45L95.4Very high96.3Very high33 Ų3349.8 Ų49.817%0.17326%0.264CS..Hα-helixtrans-73.3-34.2179.7-175.960.1000112.9K17 C20 E41 L42 P47K17-L45 HydrophobicContact CB-CD1 3.96Å; K17-L45 HydrophobicContact CD-CD1 3.89Å; K17-L45 HydrophobicContact CG-CD1 3.78Å; C20-L45 HydrophobicContact CB-CD2 3.32Å; E41-L45 WeakPolarHBondContact O-CB 3.47Å; E41-L45 PolarHBondContact O-N 2.97Å; L42-L45 PolarHBondContact O-N 3.32Å; L45-P47 WeakPolarHBondContact O-CD 3.48Å
46Y96.1Very high96.3Very high71 Ų7155.5 Ų55.528%0.27828%0.283SS..  trans-119.682.9179.8-57.8-74.3000109.9L42 L43 D48 A49 R137L42-Y46 HydrophobicContact CD2-CD2 4.32Å; L42-Y46 HydrophobicContact CD2-CE2 3.99Å; L42-Y46 WeakPolarHBondContact O-CB 3.44Å; L42-Y46 WeakPolarHBondContact O-CD2 3.38Å; L42-Y46 PolarHBondContact O-N 2.94Å; L43-Y46 CarbonylContact O-C 3.43Å; Y46-D48 PolarHBondContact O-N 3.4Å; Y46-A49 VanDerWaalsContact O-CB 3.29Å; Y46-A49 WeakPolarHBondContact O-CB 3.3Å; Y46-A49 PolarHBondContact O-N 3.32Å; Y46-R137 PolarHBondContact O-NH2 3Å
47P95.7Very high96.3Very high83 Ų8357.5 Ų57.554%0.53929%0.291SS..THydrogen-bonded Turntrans-63.7-25.7-172.324.1-34.4000113.8L45 R137L45-P47 WeakPolarHBondContact O-CD 3.48Å; P47-R137 PolarHBondContact O-NH1 3.29Å; P47-R137 PolarHBondContact O-NH2 3.41Å
48D95.6Very high96.4Very high156 Ų15659.1 Ų59.183%0.83430%0.301SS*.THydrogen-bonded Turntrans-89.8-5.4178.9-55.3-43.3000113.3Y46Y46-D48 PolarHBondContact O-N 3.4Å
49A97.3Very high96.4Very high37 Ų3764.1 Ų64.131%0.30632%0.324SS..  trans-67.7148.1-178.700000111.5L43 Y46 R137L43-A49 HydrophobicContact CD2-CB 4.42Å; Y46-A49 VanDerWaalsContact O-CB 3.29Å; Y46-A49 WeakPolarHBondContact O-CB 3.3Å; Y46-A49 PolarHBondContact O-N 3.32Å; A49-R137 PolarHBondContact O-NE 3.17Å; A49-R137 PolarHBondContact O-NH2 3.05Å
50K97.9Very high96.2Very high85 Ų8567.8 Ų67.837%0.3735%0.345SS..  trans-104.6154.8171.7-68.1177.6173.4177.50110F153 L154K50-F153 HydrophobicContact CB-CE1 3.63Å; K50-F153 HydrophobicContact CB-CZ 3.73Å; K50-F153 HydrophobicContact CD-CD1 4.29Å; K50-F153 HydrophobicContact CD-CE1 3.79Å; K50-F153 HydrophobicContact CD-CE2 4.26Å; K50-F153 HydrophobicContact CD-CZ 3.77Å; K50-F153 HydrophobicContact CG-CE1 4.18Å; K50-F153 HydrophobicContact CG-CZ 3.99Å; K50-F153 PolarHBondContact NZ-O 2.92Å; K50-L154 HydrophobicContact CD-CD2 4.23Å
51V98.4Very high96.2Very high20 Ų2064.9 Ų64.912%0.12133%0.332CS..EExtended strand (participates in β ladder)trans-108.3133.1173.1-176.40000110L43 V129 V133 R137 L138 L139L43-V51 HydrophobicContact CD1-CG2 3.65Å; L43-V51 HydrophobicContact CD2-CG2 3.53Å; L43-V51 HydrophobicContact CG-CG2 3.91Å; V51-V129 HydrophobicContact CG1-CG1 4.41Å; V51-V133 HydrophobicContact CB-CG1 4.03Å; V51-V133 HydrophobicContact CB-CG2 4.37Å; V51-V133 HydrophobicContact CG1-CG2 4.41Å; V51-V133 HydrophobicContact CG2-CG1 3.78Å; V51-V133 HydrophobicContact CG2-CG2 4.02Å; V51-R137 PolarHBondContact N-O 3.03Å; V51-L138 HydrophobicContact CB-CD1 3.94Å; V51-L138 HydrophobicContact CG1-CD1 3.84Å; V51-L138 WeakPolarHBondContact O-CA 3.35Å; V51-L139 PolarHBondContact O-N 3.25Å
52I98.4Very high96.1Very high69 Ų6964 Ų6435%0.35433%0.327SS..EExtended strand (participates in β ladder)trans-111.7112.5168.7-61.1157.4000106.9T54 L139 Y141 L150 F153I52-T54 HydrophobicContact CG2-CG2 4.4Å; I52-L139 WeakPolarHBondContact CA-O 3.24Å; I52-L139 HydrophobicContact CG1-CB 4.44Å; I52-L139 HydrophobicContact CG2-CD2 4.49Å; I52-Y141 HydrophobicContact CG2-CD1 3.83Å; I52-Y141 HydrophobicContact CG2-CG 4.24Å; I52-L150 HydrophobicContact CD1-CD1 3.4Å; I52-L150 VanDerWaalsContact CD1-CD1 3.4Å; I52-L150 HydrophobicContact CG1-CD1 4.2Å; I52-F153 HydrophobicContact CG1-CD1 4.32Å; I52-F153 HydrophobicContact CG1-CE1 4.09Å
53L98.4Very high95.9Very high12 Ų1265.3 Ų65.36%0.06334%0.342CS..EExtended strand (participates in β ladder)trans-93.9104.4172.8175.464.3000108.6V55 N126 V129 I130 L138 L139 Y141L53-V55 HydrophobicContact CD2-CG1 4.21Å; L53-V55 HydrophobicContact CG-CG1 4.01Å; L53-V55 PolarHBondContact O-N 3.28Å; L53-N126 HydrophobicContact CD2-CB 4.41Å; L53-V129 HydrophobicContact CB-CG1 4.23Å; L53-V129 HydrophobicContact CD1-CB 4.25Å; L53-V129 HydrophobicContact CD1-CG1 4.14Å; L53-V129 HydrophobicContact CD1-CG2 4.38Å; L53-V129 HydrophobicContact CD2-CB 4.09Å; L53-V129 HydrophobicContact CD2-CG1 4.06Å; L53-V129 HydrophobicContact CG-CG1 4.37Å; L53-I130 HydrophobicContact CD2-CD1 4.01Å; L53-I130 HydrophobicContact CD2-CG1 3.61Å; L53-L138 HydrophobicContact CB-CD1 4.03Å; L53-L139 PolarHBondContact N-O 3.31Å; L53-Y141 PolarHBondContact O-N 3.31Å
54T97.6Very high95.7Very high79 Ų7964.6 Ų64.649%0.48534%0.339SS..EExtended strand (participates in β ladder)trans-74.1127.2173.552.90000110.3I52 Y141 I143I52-T54 HydrophobicContact CG2-CG2 4.4Å; T54-Y141 CarbonylContact C-O 3.56Å; T54-Y141 VanDerWaalsContact CA-O 3.29Å; T54-Y141 WeakPolarHBondContact CA-O 3.49Å; T54-Y141 HydrophobicContact CG2-CD1 4.22Å; T54-I143 HydrophobicContact CG2-CG2 3.94Å
55V96.8Very high95.5Very high23 Ų2359.1 Ų59.114%0.13932%0.315CS..EExtended strand (participates in β ladder)trans-120.2153.4179.5-63.50000110.4L53 K140 Y141 D142L53-V55 HydrophobicContact CD2-CG1 4.21Å; L53-V55 HydrophobicContact CG-CG1 4.01Å; L53-V55 PolarHBondContact O-N 3.28Å; V55-K140 HydrophobicContact CG1-CD 4.48Å; V55-K140 HydrophobicContact CG1-CG 3.84Å; V55-K140 HydrophobicContact CG2-CG 3.95Å; V55-Y141 PolarHBondContact N-O 2.98Å; V55-D142 HydrophobicContact CG2-CB 4.45Å
56R94.7Very high95.3Very high136 Ų13659.2 Ų59.251%0.51331%0.313SS..  trans-157.9172.2173.661.9179.9128.4178.7-3.4108.9W61 F122R56-W61 HydrophobicContact CG-CB 3.91Å; R56-F122 HydrophobicContact CG-CZ 4.28Å
57D95.8Very high94.8Very high82 Ų8257.1 Ų57.144%0.43931%0.309SS..  trans-55.3129.1171.6-180-90.8000111.4E59 I60 W61D57-E59 VanDerWaalsContact C-N 3.32Å; D57-E59 PolarHBondContact O-N 3.03Å; D57-E59 WeakPolarHBondContact OD1-CA 3.25Å; D57-E59 VanDerWaalsContact OD1-CB 3.32Å; D57-E59 WeakPolarHBondContact OD1-CB 3.36Å; D57-E59 PolarHBondContact OD1-N 2.81Å; D57-I60 HydrophobicContact CB-CB 4.12Å; D57-I60 HydrophobicContact CB-CD1 3.86Å; D57-I60 HydrophobicContact CB-CG1 3.9Å; D57-I60 PolarHBondContact O-N 3.08Å; D57-I60 PolarHBondContact OD1-N 3.31Å; D57-W61 PolarHBondContact O-N 3.2Å
58P96.4Very high94.2Very high39 Ų3954.2 Ų54.225%0.25329%0.29SS..Hα-helixtrans-58.5-36.7-178.2-27.736.1000114.6W61 L62 L119 F122 V123P58-W61 PolarHBondContact O-N 3.26Å; P58-L62 WeakPolarHBondContact O-CB 3.47Å; P58-L62 PolarHBondContact O-N 3.02Å; P58-L119 HydrophobicContact CB-CD2 3.68Å; P58-L119 VanDerWaalsContact O-CD2 3.32Å; P58-L119 WeakPolarHBondContact O-CD2 3.46Å; P58-F122 HydrophobicContact CB-CD1 4Å; P58-F122 HydrophobicContact CB-CE1 4.29Å; P58-F122 HydrophobicContact CG-CD1 4.18Å; P58-F122 HydrophobicContact CG-CE1 4.19Å; P58-V123 HydrophobicContact CG-CG2 4.11Å
59E95.7Very high93.7Very high114 Ų11451.1 Ų51.153%0.53327%0.272SS..Hα-helixtrans-71.6-39.9-180-63.1-65.2165.900110.7D57 W61 L62 A63 L119D57-E59 VanDerWaalsContact C-N 3.32Å; D57-E59 PolarHBondContact O-N 3.03Å; D57-E59 WeakPolarHBondContact OD1-CA 3.25Å; D57-E59 VanDerWaalsContact OD1-CB 3.32Å; D57-E59 WeakPolarHBondContact OD1-CB 3.36Å; D57-E59 PolarHBondContact OD1-N 2.81Å; E59-W61 VanDerWaalsContact C-N 3.34Å; E59-W61 PolarHBondContact O-N 3.02Å; E59-L62 PolarHBondContact O-N 3.16Å; E59-A63 WeakPolarHBondContact O-CB 3.49Å; E59-A63 PolarHBondContact O-N 3Å; E59-L119 VanDerWaalsContact OE1-CD1 3.27Å; E59-L119 WeakPolarHBondContact OE1-CD1 3.3Å
60I92.8Very high93.1Very high101 Ų10149.5 Ų49.552%0.51826%0.258SS..Hα-helixtrans-62.5-43172.5-61-179.2000110.6D57 G64D57-I60 HydrophobicContact CB-CB 4.12Å; D57-I60 HydrophobicContact CB-CD1 3.86Å; D57-I60 HydrophobicContact CB-CG1 3.9Å; D57-I60 PolarHBondContact O-N 3.08Å; D57-I60 PolarHBondContact OD1-N 3.31Å; I60-G64 PolarHBondContact O-N 3.36Å
61W94.6Very high92.5Very high26 Ų2646.7 Ų46.710%0.09825%0.249CC..Hα-helixtrans-59.6-47.1174.5168.784.6000111.6R56 D57 P58 E59 G64 C65 F106 M118 F122R56-W61 HydrophobicContact CG-CB 3.91Å; D57-W61 PolarHBondContact O-N 3.2Å; P58-W61 PolarHBondContact O-N 3.26Å; E59-W61 VanDerWaalsContact C-N 3.34Å; E59-W61 PolarHBondContact O-N 3.02Å; W61-G64 PolarHBondContact O-N 2.97Å; W61-C65 WeakPolarHBondContact O-CB 3.23Å; W61-C65 PolarHBondContact O-N 3.31Å; W61-F106 HydrophobicContact CH2-CE1 4.44Å; W61-F106 HydrophobicContact CH2-CZ 4.25Å; W61-F106 HydrophobicContact CZ2-CE1 4.42Å; W61-F106 AromaticContact CZ2-CZ 3.9Å; W61-F106 HydrophobicContact CZ2-CZ 3.9Å; W61-M118 HydrophobicContact CH2-CB 4.34Å; W61-M118 HydrophobicContact CH2-CE 3.5Å; W61-M118 HydrophobicContact CH2-SD 4.47Å; W61-M118 HydrophobicContact CZ2-CE 4.17Å; W61-M118 HydrophobicContact CZ3-CB 4.17Å; W61-M118 HydrophobicContact CZ3-CE 4.2Å; W61-M118 WeakPolarHBondContact CZ3-O 3.31Å; W61-F122 HydrophobicContact CB-CE1 4.23Å; W61-F122 HydrophobicContact CB-CE2 4.33Å; W61-F122 HydrophobicContact CB-CZ 4.1Å; W61-F122 AromaticContact CD1-CD2 3.84Å; W61-F122 AromaticContact CD1-CE2 3.59Å; W61-F122 HydrophobicContact CD2-CB 4.03Å; W61-F122 HydrophobicContact CD2-CD1 4.24Å; W61-F122 AromaticContact CD2-CD2 3.54Å; W61-F122 HydrophobicContact CD2-CD2 3.54Å; W61-F122 HydrophobicContact CD2-CE2 4.01Å; W61-F122 AromaticContact CD2-CG 3.67Å; W61-F122 HydrophobicContact CD2-CG 3.67Å; W61-F122 AromaticContact CE2-CD2 3.49Å; W61-F122 VanDerWaalsContact CE2-CD2 3.49Å; W61-F122 AromaticContact CE2-CG 3.99Å; W61-F122 HydrophobicContact CE3-CB 3.66Å; W61-F122 HydrophobicContact CE3-CD1 4.2Å; W61-F122 HydrophobicContact CE3-CD2 4.09Å; W61-F122 AromaticContact CE3-CG 3.73Å; W61-F122 HydrophobicContact CE3-CG 3.73Å; W61-F122 HydrophobicContact CG-CD1 4.4Å; W61-F122 AromaticContact CG-CD2 3.79Å; W61-F122 HydrophobicContact CG-CD2 3.79Å; W61-F122 HydrophobicContact CG-CE1 4.33Å; W61-F122 AromaticContact CG-CE2 3.71Å; W61-F122 HydrophobicContact CG-CE2 3.71Å; W61-F122 HydrophobicContact CG-CG 4.14Å; W61-F122 AromaticContact CG-CZ 3.98Å; W61-F122 HydrophobicContact CG-CZ 3.98Å; W61-F122 HydrophobicContact CH2-CB 3.71Å; W61-F122 HydrophobicContact CH2-CD2 4.49Å; W61-F122 HydrophobicContact CH2-CG 4.38Å; W61-F122 HydrophobicContact CZ2-CB 4.07Å; W61-F122 HydrophobicContact CZ2-CD2 4Å; W61-F122 HydrophobicContact CZ2-CG 4.34Å; W61-F122 HydrophobicContact CZ3-CB 3.51Å; W61-F122 HydrophobicContact CZ3-CG 4.1Å; W61-F122 AromaticContact NE1-CD2 3.65Å; W61-F122 AromaticContact NE1-CE2 3.79Å
62L94.5Very high91.8Very high9 Ų951.6 Ų51.65%0.04727%0.268CS..Hα-helixtrans-62.4-47.7-179.7176.367.1000110.9P58 E59 G64 C65 R66 D115 M118 L119P58-L62 WeakPolarHBondContact O-CB 3.47Å; P58-L62 PolarHBondContact O-N 3.02Å; E59-L62 PolarHBondContact O-N 3.16Å; L62-G64 VanDerWaalsContact C-N 3.29Å; L62-G64 PolarHBondContact O-N 2.94Å; L62-C65 PolarHBondContact O-N 3.34Å; L62-C65 VanDerWaalsContact O-N 3.13Å; L62-R66 HydrophobicContact CD1-CG 4Å; L62-R66 HydrophobicContact CG-CG 4.26Å; L62-R66 WeakPolarHBondContact O-CB 3.44Å; L62-R66 WeakPolarHBondContact O-CG 3.37Å; L62-R66 PolarHBondContact O-N 2.89Å; L62-D115 HydrophobicContact CD2-CB 3.69Å; L62-M118 HydrophobicContact CD1-CB 3.65Å; L62-M118 HydrophobicContact CD1-CG 4.24Å; L62-L119 HydrophobicContact CB-CD2 3.92Å; L62-L119 HydrophobicContact CD2-CD1 4.03Å; L62-L119 HydrophobicContact CD2-CD2 4.07Å; L62-L119 HydrophobicContact CD2-CG 3.9Å
63A92.1Very high91Very high52 Ų5250.3 Ų50.343%0.4326%0.262SS..Hα-helixtrans-57-44.5177.900000111.4E59 S67E59-A63 WeakPolarHBondContact O-CB 3.49Å; E59-A63 PolarHBondContact O-N 3Å; A63-S67 WeakPolarHBondContact O-CB 3.32Å; A63-S67 PolarHBondContact O-N 2.84Å; A63-S67 VanDerWaalsContact O-N 3.11Å; A63-S67 PolarHBondContact O-OG 2.98Å
64G91.1Very high89.9Confident6 Ų651.2 Ų51.26%0.06227%0.267CS..Hα-helixtrans-57.3-55.3171.800000111.3I60 W61 L62 R66 S67 T68I60-G64 PolarHBondContact O-N 3.36Å; W61-G64 PolarHBondContact O-N 2.97Å; L62-G64 VanDerWaalsContact C-N 3.29Å; L62-G64 PolarHBondContact O-N 2.94Å; G64-R66 PolarHBondContact O-N 3.19Å; G64-S67 PolarHBondContact O-N 3.07Å; G64-S67 PolarHBondContact O-OG 3.18Å; G64-T68 PolarHBondContact O-N 3.32Å; G64-T68 VanDerWaalsContact O-N 3.11Å; G64-T68 PolarHBondContact O-OG1 2.96Å
65C91.1Very high88.9Confident9 Ų953 Ų536%0.06127%0.273CS..Hα-helixtrans-58.1-43.5-177.3-1650000112.9W61 L62 S67 T68 I69 L70W61-C65 WeakPolarHBondContact O-CB 3.23Å; W61-C65 PolarHBondContact O-N 3.31Å; L62-C65 PolarHBondContact O-N 3.34Å; L62-C65 VanDerWaalsContact O-N 3.13Å; C65-S67 VanDerWaalsContact C-N 3.3Å; C65-S67 PolarHBondContact O-N 2.9Å; C65-T68 PolarHBondContact O-N 3.13Å; C65-I69 PolarHBondContact O-N 3.14Å; C65-L70 PolarHBondContact O-N 3.49Å
66R90.4Very high88Confident34 Ų3457.9 Ų57.913%0.12830%0.295CS..Hα-helixtrans-64.8-33175.2-69.8-49.2-169.3-166.9-5.5113.3L62 G64 T68 L70 P71 F112 T113 D115L62-R66 HydrophobicContact CD1-CG 4Å; L62-R66 HydrophobicContact CG-CG 4.26Å; L62-R66 WeakPolarHBondContact O-CB 3.44Å; L62-R66 WeakPolarHBondContact O-CG 3.37Å; L62-R66 PolarHBondContact O-N 2.89Å; G64-R66 PolarHBondContact O-N 3.19Å; R66-T68 VanDerWaalsContact C-N 3.33Å; R66-L70 WeakPolarHBondContact CD-O 3.27Å; R66-L70 PolarHBondContact NH1-O 3.45Å; R66-P71 WeakPolarHBondContact O-CA 3.31Å; R66-F112 PolarHBondContact NH1-O 3.49Å; R66-F112 PolarHBondContact NH2-O 2.83Å; R66-T113 VanDerWaalsContact NH2-C 3.33Å; R66-T113 PolarHBondContact NH2-O 3.27Å; R66-D115 IonicContact CZ-OD1 2.75Å; R66-D115 VanDerWaalsContact CZ-OD1 3.26Å; R66-D115 IonicContact NE-OD1 3.79Å; R66-D115 PolarHBondContact NE-OD1 2.88Å; R66-D115 IonicContact NH2-OD1 3.97Å; R66-D115 PolarHBondContact NH2-OD1 2.83Å
67S85.6Confident87.1Confident27 Ų2757.7 Ų57.719%0.18931%0.311CS..Hα-helixtrans-79.8-17.9-17972.90000113.4A63 G64 C65 Y169A63-S67 WeakPolarHBondContact O-CB 3.32Å; A63-S67 PolarHBondContact O-N 2.84Å; A63-S67 VanDerWaalsContact O-N 3.11Å; A63-S67 PolarHBondContact O-OG 2.98Å; G64-S67 PolarHBondContact O-N 3.07Å; G64-S67 PolarHBondContact O-OG 3.18Å; C65-S67 VanDerWaalsContact C-N 3.3Å; C65-S67 PolarHBondContact O-N 2.9Å; S67-Y169 WeakPolarHBondContact OG-CB 3.29Å; S67-Y169 WeakPolarHBondContact OG-CD2 3.42Å
68T83.6Confident86.4Confident23 Ų2357.5 Ų57.514%0.14130%0.304CS..Hα-helixtrans-128.4-64.6-171.359.70000114.5G64 C65 R66 L172 L176G64-T68 PolarHBondContact O-N 3.32Å; G64-T68 VanDerWaalsContact O-N 3.11Å; G64-T68 PolarHBondContact O-OG1 2.96Å; C65-T68 PolarHBondContact O-N 3.13Å; R66-T68 VanDerWaalsContact C-N 3.33Å; T68-L172 HydrophobicContact CG2-CB 3.76Å; T68-L172 HydrophobicContact CG2-CD2 3.53Å; T68-L172 HydrophobicContact CG2-CG 3.58Å; T68-L176 HydrophobicContact CG2-CD1 4.19Å; T68-L176 VanDerWaalsContact O-CD1 3.27Å; T68-L176 WeakPolarHBondContact O-CD1 3.44Å
69I84Confident85.7Confident90 Ų9057.6 Ų57.646%0.46231%0.305SS..THydrogen-bonded Turntrans-96.4-49.2-162.1-60.2160.1000112.2C65 P71 F98C65-I69 PolarHBondContact O-N 3.14Å; I69-P71 WeakPolarHBondContact O-CD 3.5Å; I69-F98 HydrophobicContact CG2-CE1 4.41Å; I69-F98 HydrophobicContact CG2-CE2 3.34Å; I69-F98 HydrophobicContact CG2-CZ 3.27Å
70L85.4Confident85Confident4 Ų459.3 Ų59.32%0.02131%0.307CS..SBendtrans-122.970.2-175.2-69.8171.5000110.2C65 R66 I74 F98 F112 M118C65-L70 PolarHBondContact O-N 3.49Å; R66-L70 WeakPolarHBondContact CD-O 3.27Å; R66-L70 PolarHBondContact NH1-O 3.45Å; L70-I74 HydrophobicContact CD2-CD1 3.35Å; L70-F98 HydrophobicContact CD2-CE1 3.45Å; L70-F98 VanDerWaalsContact CD2-CE1 3.45Å; L70-F98 HydrophobicContact CD2-CZ 3.59Å; L70-F98 HydrophobicContact CG-CE1 4.29Å; L70-F98 HydrophobicContact CG-CZ 3.92Å; L70-F112 HydrophobicContact CD1-CD1 3.83Å; L70-F112 HydrophobicContact CD1-CE1 4.36Å; L70-M118 HydrophobicContact CB-CE 4.25Å; L70-M118 HydrophobicContact CD1-CE 3.45Å; L70-M118 VanDerWaalsContact CD1-CE 3.45Å; L70-M118 HydrophobicContact CD1-SD 4.06Å; L70-M118 HydrophobicContact CG-CE 4.47Å
71P84.4Confident84.5Confident26 Ų2654.8 Ų54.817%0.16929%0.285CS..  trans-66.4153.7176.434.4-38.5000110.2R66 I69 D73 I74R66-P71 WeakPolarHBondContact O-CA 3.31Å; I69-P71 WeakPolarHBondContact O-CD 3.5Å; P71-D73 WeakPolarHBondContact CB-OD1 3.42Å; P71-D73 WeakPolarHBondContact CG-OD1 3.39Å; P71-D73 PolarHBondContact O-N 3Å; P71-I74 WeakPolarHBondContact O-CB 3.34Å; P71-I74 PolarHBondContact O-N 2.87Å
72K84Confident83.8Confident122 Ų12254.2 Ų54.253%0.5328%0.283SS..THydrogen-bonded Turntrans-60.6-20.4-177.9-68.3-170.7176.3-174.50113.8I74 D115K72-I74 VanDerWaalsContact C-N 3.26Å; K72-I74 PolarHBondContact O-N 2.84Å; K72-D115 VanDerWaalsContact CE-CG 3.5Å; K72-D115 WeakPolarHBondContact CE-OD1 3.42Å; K72-D115 WeakPolarHBondContact CE-OD2 3.31Å; K72-D115 IonicContact NZ-OD1 2.78Å; K72-D115 IonicContact NZ-OD2 3.78Å; K72-D115 PolarHBondContact NZ-OD2 3.18Å
73D81.4Confident83.2Confident43 Ų4358.7 Ų58.723%0.2330%0.304CS..THydrogen-bonded Turntrans-87.117.9176.672.6-47.3000113.7P71 D75 Q76 R78 K180P71-D73 WeakPolarHBondContact CB-OD1 3.42Å; P71-D73 WeakPolarHBondContact CG-OD1 3.39Å; P71-D73 PolarHBondContact O-N 3Å; D73-D75 VanDerWaalsContact C-N 3.31Å; D73-D75 PolarHBondContact O-N 3.5Å; D73-Q76 HydrophobicContact CB-CB 4.45Å; D73-Q76 HydrophobicContact CB-CG 4.12Å; D73-Q76 PolarHBondContact O-N 2.93Å; D73-R78 PolarHBondContact O-NH2 3.23Å; D73-R78 IonicContact OD2-CZ 3.17Å; D73-R78 IonicContact OD2-NH1 3.7Å; D73-R78 IonicContact OD2-NH2 2.65Å; D73-R78 PolarHBondContact OD2-NH2 2.82Å; D73-K180 IonicContact OD1-NZ 2.77Å; D73-K180 PolarHBondContact OD1-NZ 3.11Å; D73-K180 VanDerWaalsContact OD1-NZ 3.17Å; D73-K180 IonicContact OD2-NZ 3.79Å; D73-K180 PolarHBondContact OD2-NZ 3.13Å
74I76.8Confident82.8Confident31 Ų3159.8 Ų59.816%0.15930%0.302CS..THydrogen-bonded Turntrans-61.1-39.8-177.2-169.8161.7000112.4L70 P71 K72 F98 T113L70-I74 HydrophobicContact CD2-CD1 3.35Å; P71-I74 WeakPolarHBondContact O-CB 3.34Å; P71-I74 PolarHBondContact O-N 2.87Å; K72-I74 VanDerWaalsContact C-N 3.26Å; K72-I74 PolarHBondContact O-N 2.84Å; I74-F98 HydrophobicContact CD1-CE1 4.44Å; I74-T113 HydrophobicContact CG2-CG2 4.48Å
75D75.1Confident82.3Confident115 Ų11562.3 Ų62.362%0.61531%0.313SS*.THydrogen-bonded Turntrans-91.52-178.3-62.7-27000113.4D73 T113D73-D75 VanDerWaalsContact C-N 3.31Å; D73-D75 PolarHBondContact O-N 3.5Å; D75-T113 HydrophobicContact CB-CG2 4.43Å; D75-T113 VanDerWaalsContact OD2-CG2 3.22Å; D75-T113 WeakPolarHBondContact OD2-CG2 3.47Å
76Q78.1Confident81.8Confident127 Ų12764.7 Ų64.759%0.59332%0.321SS*.SBendtrans-67.9135.1177.9-73.4-154.6-0.300111.2D73 R78D73-Q76 HydrophobicContact CB-CB 4.45Å; D73-Q76 HydrophobicContact CB-CG 4.12Å; D73-Q76 PolarHBondContact O-N 2.93Å; Q76-R78 PolarHBondContact O-N 3.01Å
77P77.1Confident81.4Confident131 Ų13170 Ų7085%0.85135%0.345SS*.PPolyproline II helixtrans-52.7129.6175.8-25.432.9000111.2
78R80.4Confident81.3Confident79 Ų7973.3 Ų73.330%0.29837%0.368SS..PPolyproline II helixtrans-99.9150.8177-56-72.5177.6162.4-14.6109.6D73 Q76 F82 Q83D73-R78 PolarHBondContact O-NH2 3.23Å; D73-R78 IonicContact OD2-CZ 3.17Å; D73-R78 IonicContact OD2-NH1 3.7Å; D73-R78 IonicContact OD2-NH2 2.65Å; D73-R78 PolarHBondContact OD2-NH2 2.82Å; Q76-R78 PolarHBondContact O-N 3.01Å; R78-F82 HydrophobicContact CB-CB 4.29Å; R78-F82 HydrophobicContact CB-CD1 3.2Å; R78-F82 HydrophobicContact CB-CE1 3.63Å; R78-F82 HydrophobicContact CB-CG 3.93Å; R78-F82 HydrophobicContact CG-CD1 3.66Å; R78-F82 HydrophobicContact CG-CE1 3.48Å; R78-F82 VanDerWaalsContact CG-CE1 3.48Å; R78-F82 HydrophobicContact CG-CZ 4.27Å; R78-Q83 HydrophobicContact CB-CG 4.47Å
79S80.9Confident81.2Confident40 Ų4077 Ų7728%0.2839%0.385SS..PPolyproline II helixtrans-60.4153.4179.969.90000111.8S81 F82 Q83 Q187S79-S81 PolarHBondContact O-N 3.45Å; S79-S81 PolarHBondContact OG-OG 3.27Å; S79-F82 WeakPolarHBondContact O-CB 3.31Å; S79-F82 PolarHBondContact O-N 3.09Å; S79-F82 WeakPolarHBondContact OG-CB 3.34Å; S79-F82 PolarHBondContact OG-N 2.99Å; S79-F82 VanDerWaalsContact OG-N 3.16Å; S79-Q83 PolarHBondContact O-N 3.41Å; S79-Q83 VanDerWaalsContact O-N 3.09Å; S79-Q187 WeakPolarHBondContact OG-CG 3.21Å; S79-Q187 PolarHBondContact OG-NE2 2.95Å
80W81.6Confident81Confident150 Ų15074.1 Ų74.157%0.56838%0.378SS*.Hα-helixtrans-55.9-37.4175.272.7-95.3000111.9F82 Q83 L84 P191 I194W80-F82 VanDerWaalsContact C-N 3.34Å; W80-F82 PolarHBondContact O-N 3.43Å; W80-Q83 PolarHBondContact O-N 3.38Å; W80-L84 HydrophobicContact CE3-CB 4.43Å; W80-L84 HydrophobicContact CE3-CD2 4.27Å; W80-L84 HydrophobicContact CZ3-CD2 3.7Å; W80-L84 WeakPolarHBondContact O-CB 3.34Å; W80-L84 PolarHBondContact O-N 3.49Å; W80-P191 HydrophobicContact CZ2-CG 4.12Å; W80-I194 HydrophobicContact CH2-CD1 3.88Å
81S81.3Confident80.8Confident7 Ų776.7 Ų76.75%0.04939%0.391CS..Hα-helixtrans-65.6-36.5178.652.70000112.3S79 L85S79-S81 PolarHBondContact O-N 3.45Å; S79-S81 PolarHBondContact OG-OG 3.27Å; S81-L85 WeakPolarHBondContact O-CB 3.28Å; S81-L85 PolarHBondContact O-N 3.43Å
82F81.5Confident80.5Confident13 Ų1379.5 Ų79.56%0.05740%0.402CS..Hα-helixtrans-64.8-48173170.6-93.2000111.4R78 S79 W80 L84 L85 R86 L183 Q187R78-F82 HydrophobicContact CB-CB 4.29Å; R78-F82 HydrophobicContact CB-CD1 3.2Å; R78-F82 HydrophobicContact CB-CE1 3.63Å; R78-F82 HydrophobicContact CB-CG 3.93Å; R78-F82 HydrophobicContact CG-CD1 3.66Å; R78-F82 HydrophobicContact CG-CE1 3.48Å; R78-F82 VanDerWaalsContact CG-CE1 3.48Å; R78-F82 HydrophobicContact CG-CZ 4.27Å; S79-F82 WeakPolarHBondContact O-CB 3.31Å; S79-F82 PolarHBondContact O-N 3.09Å; S79-F82 WeakPolarHBondContact OG-CB 3.34Å; S79-F82 PolarHBondContact OG-N 2.99Å; S79-F82 VanDerWaalsContact OG-N 3.16Å; W80-F82 VanDerWaalsContact C-N 3.34Å; W80-F82 PolarHBondContact O-N 3.43Å; F82-L84 VanDerWaalsContact C-N 3.35Å; F82-L84 PolarHBondContact O-N 2.88Å; F82-L85 PolarHBondContact O-N 3.02Å; F82-R86 HydrophobicContact CE1-CG 4.26Å; F82-R86 HydrophobicContact CE2-CG 4.2Å; F82-R86 HydrophobicContact CZ-CG 4.14Å; F82-R86 WeakPolarHBondContact O-CG 3.33Å; F82-R86 PolarHBondContact O-N 3.43Å; F82-L183 HydrophobicContact CD2-CD1 3.35Å; F82-L183 HydrophobicContact CD2-CD2 3.33Å; F82-L183 HydrophobicContact CD2-CG 3.46Å; F82-L183 VanDerWaalsContact CD2-CG 3.46Å; F82-L183 HydrophobicContact CE2-CD1 3.6Å; F82-L183 HydrophobicContact CE2-CD2 3.07Å; F82-L183 HydrophobicContact CE2-CG 3.69Å; F82-L183 HydrophobicContact CZ-CD2 4.2Å; F82-Q187 HydrophobicContact CB-CG 4.43Å
83Q81.5Confident80.4Confident104 Ų10479.5 Ų79.549%0.48640%0.404SS..Hα-helixtrans-64.3-41.6179.8-62.6-70.460.300111.1R78 S79 W80 R86 K87R78-Q83 HydrophobicContact CB-CG 4.47Å; S79-Q83 PolarHBondContact O-N 3.41Å; S79-Q83 VanDerWaalsContact O-N 3.09Å; W80-Q83 PolarHBondContact O-N 3.38Å; Q83-R86 PolarHBondContact O-N 3.33Å; Q83-K87 WeakPolarHBondContact O-CB 3.38Å; Q83-K87 PolarHBondContact O-N 3.36Å
84L82.6Confident80.5Confident74 Ų7484 Ų8439%0.38742%0.422SS..Hα-helixtrans-61.3-49.3175.8-179.462.1000111.3W80 F82 R86 K87 C88 L190W80-L84 HydrophobicContact CE3-CB 4.43Å; W80-L84 HydrophobicContact CE3-CD2 4.27Å; W80-L84 HydrophobicContact CZ3-CD2 3.7Å; W80-L84 WeakPolarHBondContact O-CB 3.34Å; W80-L84 PolarHBondContact O-N 3.49Å; F82-L84 VanDerWaalsContact C-N 3.35Å; F82-L84 PolarHBondContact O-N 2.88Å; L84-R86 PolarHBondContact O-N 3.11Å; L84-K87 PolarHBondContact O-N 2.76Å; L84-C88 PolarHBondContact O-N 2.87Å; L84-C88 PolarHBondContact O-SG 3.42Å; L84-L190 HydrophobicContact CD2-CD2 4.4Å
85L81.5Confident80.7Confident59 Ų5986.1 Ų86.131%0.30943%0.431SS..Hα-helixtrans-56.6-51178.1179.561.1000110.5S81 F82 K87 C88 I89 L183S81-L85 WeakPolarHBondContact O-CB 3.28Å; S81-L85 PolarHBondContact O-N 3.43Å; F82-L85 PolarHBondContact O-N 3.02Å; L85-K87 VanDerWaalsContact C-N 3.29Å; L85-K87 PolarHBondContact O-N 3.47Å; L85-C88 WeakPolarHBondContact O-CB 3.43Å; L85-C88 PolarHBondContact O-N 2.87Å; L85-C88 VanDerWaalsContact O-N 3.1Å; L85-I89 HydrophobicContact CD1-CG2 4.17Å; L85-I89 HydrophobicContact CG-CD1 4.43Å; L85-I89 VanDerWaalsContact O-CG1 3.31Å; L85-I89 WeakPolarHBondContact O-CG1 3.42Å; L85-I89 PolarHBondContact O-N 3.07Å; L85-L183 HydrophobicContact CD2-CD1 4.15Å
86R80.1Confident81.1Confident59 Ų5984.7 Ų84.722%0.22342%0.421CS..Hα-helixtrans-58.1-39.5178.5-75.8-169.870.3141.114.5113.3F82 Q83 L84 G90 L91 Q92F82-R86 HydrophobicContact CE1-CG 4.26Å; F82-R86 HydrophobicContact CE2-CG 4.2Å; F82-R86 HydrophobicContact CZ-CG 4.14Å; F82-R86 WeakPolarHBondContact O-CG 3.33Å; F82-R86 PolarHBondContact O-N 3.43Å; Q83-R86 PolarHBondContact O-N 3.33Å; L84-R86 PolarHBondContact O-N 3.11Å; R86-G90 CarbonylContact O-C 3.16Å; R86-G90 PolarHBondContact O-N 2.9Å; R86-G90 VanDerWaalsContact O-N 3.12Å; R86-L91 HydrophobicContact CB-CB 4.24Å; R86-L91 HydrophobicContact CG-CB 4.24Å; R86-L91 PolarHBondContact NH2-O 2.72Å; R86-L91 PolarHBondContact O-N 2.92Å; R86-Q92 PolarHBondContact O-N 2.94Å
87K82Confident81.6Confident145 Ų14580.9 Ų80.963%0.6340%0.404SS*.Hα-helixtrans-64.3-45.9175.2-174.1176.1179.5179.40110.8Q83 L84 L85 I89 G90Q83-K87 WeakPolarHBondContact O-CB 3.38Å; Q83-K87 PolarHBondContact O-N 3.36Å; L84-K87 PolarHBondContact O-N 2.76Å; L85-K87 VanDerWaalsContact C-N 3.29Å; L85-K87 PolarHBondContact O-N 3.47Å; K87-I89 VanDerWaalsContact C-N 3.34Å; K87-I89 PolarHBondContact O-N 3.02Å; K87-G90 PolarHBondContact O-N 2.92Å
88C83.3Confident82.1Confident98 Ų9877 Ų7766%0.66237%0.374SS*.Hα-helixtrans-63-36.5178.7-69.10000113.2L84 L85L84-C88 PolarHBondContact O-N 2.87Å; L84-C88 PolarHBondContact O-SG 3.42Å; L85-C88 WeakPolarHBondContact O-CB 3.43Å; L85-C88 PolarHBondContact O-N 2.87Å; L85-C88 VanDerWaalsContact O-N 3.1Å
89I82.5Confident82.4Confident99 Ų9975.2 Ų75.251%0.50837%0.372SS..THydrogen-bonded Turntrans-93.27.7179.167.3178.4000113.8L85 K87 L91L85-I89 HydrophobicContact CD1-CG2 4.17Å; L85-I89 HydrophobicContact CG-CD1 4.43Å; L85-I89 VanDerWaalsContact O-CG1 3.31Å; L85-I89 WeakPolarHBondContact O-CG1 3.42Å; L85-I89 PolarHBondContact O-N 3.07Å; K87-I89 VanDerWaalsContact C-N 3.34Å; K87-I89 PolarHBondContact O-N 3.02Å; I89-L91 VanDerWaalsContact C-N 3.25Å; I89-L91 HydrophobicContact CD1-CB 4.34Å; I89-L91 HydrophobicContact CD1-CD1 3.38Å; I89-L91 HydrophobicContact CD1-CG 3.69Å; I89-L91 HydrophobicContact CG1-CB 4.08Å; I89-L91 HydrophobicContact CG1-CD1 4.02Å; I89-L91 HydrophobicContact CG1-CG 3.74Å; I89-L91 PolarHBondContact O-N 3.35Å
90G80Confident82.8Confident30 Ų3075.5 Ų75.531%0.30937%0.369SS..THydrogen-bonded Turntrans72.76.2177.600000115.9R86 K87 Q92R86-G90 CarbonylContact O-C 3.16Å; R86-G90 PolarHBondContact O-N 2.9Å; R86-G90 VanDerWaalsContact O-N 3.12Å; K87-G90 PolarHBondContact O-N 2.92Å; G90-Q92 PolarHBondContact O-N 2.72Å
91L80.9Confident83.3Confident58 Ų5868.4 Ų68.430%0.30434%0.342SS..Hα-helixtrans-72.3-7.5179.9-75.2-171.9000114.4R86 I89 F94 H95R86-L91 HydrophobicContact CB-CB 4.24Å; R86-L91 HydrophobicContact CG-CB 4.24Å; R86-L91 PolarHBondContact NH2-O 2.72Å; R86-L91 PolarHBondContact O-N 2.92Å; I89-L91 VanDerWaalsContact C-N 3.25Å; I89-L91 HydrophobicContact CD1-CB 4.34Å; I89-L91 HydrophobicContact CD1-CD1 3.38Å; I89-L91 HydrophobicContact CD1-CG 3.69Å; I89-L91 HydrophobicContact CG1-CB 4.08Å; I89-L91 HydrophobicContact CG1-CD1 4.02Å; I89-L91 HydrophobicContact CG1-CG 3.74Å; I89-L91 PolarHBondContact O-N 3.35Å; L91-F94 HydrophobicContact CD2-CD2 4Å; L91-H95 PolarHBondContact O-N 2.98Å
92Q78Confident83.8Confident86 Ų8668.2 Ų68.240%0.40234%0.341SS..Hα-helixtrans-66.5-47.1174.8-178.6176.8-12.600111.4R86 G90 F94 H95 E96R86-Q92 PolarHBondContact O-N 2.94Å; G90-Q92 PolarHBondContact O-N 2.72Å; Q92-F94 PolarHBondContact O-N 3.06Å; Q92-H95 WeakPolarHBondContact O-CB 3.31Å; Q92-H95 PolarHBondContact O-N 3.4Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.23Å; Q92-E96 PolarHBondContact NE2-OE1 3.1Å; Q92-E96 PolarHBondContact O-N 3.5Å; Q92-E96 VanDerWaalsContact O-N 3.09Å
93Q81.7Confident84.3Confident121 Ų12171.4 Ų71.457%0.56536%0.355SS*.Hα-helixtrans-62.2-34.3-179.4-63.8-18012.700112.1M1 E96 L97M1-Q93 HydrophobicContact CE-CB 3.96Å; M1-Q93 HydrophobicContact CE-CG 4.01Å; Q93-E96 PolarHBondContact O-N 3.48Å; Q93-L97 VanDerWaalsContact O-CB 3.25Å; Q93-L97 WeakPolarHBondContact O-CB 3.37Å; Q93-L97 PolarHBondContact O-N 3.48Å
94F83.1Confident84.8Confident137 Ų13770.1 Ų70.160%0.60135%0.346SS*.Hα-helixtrans-63.3-40.2174.2-78.6-80.9000112.5L91 Q92 F98L91-F94 HydrophobicContact CD2-CD2 4Å; Q92-F94 PolarHBondContact O-N 3.06Å; F94-F98 VanDerWaalsContact O-CB 3.23Å; F94-F98 WeakPolarHBondContact O-CB 3.27Å; F94-F98 PolarHBondContact O-N 3.1Å
95H81.4Confident85.3Confident76 Ų7667.2 Ų67.235%0.35233%0.331SS..Hα-helixtrans-67.8-45.1177.2-179.267000111.8L91 Q92 L97 F98 V99L91-H95 PolarHBondContact O-N 2.98Å; Q92-H95 WeakPolarHBondContact O-CB 3.31Å; Q92-H95 PolarHBondContact O-N 3.4Å; H95-L97 VanDerWaalsContact C-N 3.34Å; H95-L97 PolarHBondContact O-N 2.87Å; H95-F98 WeakPolarHBondContact O-CB 3.45Å; H95-F98 PolarHBondContact O-N 3.5Å; H95-V99 WeakPolarHBondContact O-CG2 3.42Å; H95-V99 PolarHBondContact O-N 3.05Å
96E84.4Confident85.9Confident85 Ų8566 Ų6640%0.39732%0.323SS..Hα-helixtrans-60-46176.8-69.8168.6-170.800110.9Q92 Q93 F98 V99 M100Q92-E96 WeakPolarHBondContact CG-OE1 3.23Å; Q92-E96 PolarHBondContact NE2-OE1 3.1Å; Q92-E96 PolarHBondContact O-N 3.5Å; Q92-E96 VanDerWaalsContact O-N 3.09Å; Q93-E96 PolarHBondContact O-N 3.48Å; E96-F98 VanDerWaalsContact C-N 3.33Å; E96-F98 PolarHBondContact O-N 3.17Å; E96-V99 PolarHBondContact O-N 3.16Å; E96-M100 WeakPolarHBondContact O-CB 3.34Å; E96-M100 PolarHBondContact O-N 3.29Å
97L87.9Confident86.4Confident47 Ų4764.8 Ų64.825%0.24633%0.329CS..Hα-helixtrans-57.8-45.9174.117966.3000111.5Q93 H95 M100 N101Q93-L97 VanDerWaalsContact O-CB 3.25Å; Q93-L97 WeakPolarHBondContact O-CB 3.37Å; Q93-L97 PolarHBondContact O-N 3.48Å; H95-L97 VanDerWaalsContact C-N 3.34Å; H95-L97 PolarHBondContact O-N 2.87Å; L97-M100 HydrophobicContact CD1-CE 3.81Å; L97-N101 WeakPolarHBondContact CD1-ND2 3.39Å; L97-N101 WeakPolarHBondContact O-CB 3.38Å; L97-N101 PolarHBondContact O-N 2.92Å; L97-N101 PolarHBondContact O-ND2 2.91Å
98F87.7Confident86.7Confident50 Ų5063.6 Ų63.622%0.21933%0.329CS..Hα-helixtrans-63.1-51.8-179.6173.1-96.7000111.8I69 L70 I74 F94 H95 E96 M100 N101 C102I69-F98 HydrophobicContact CG2-CE1 4.41Å; I69-F98 HydrophobicContact CG2-CE2 3.34Å; I69-F98 HydrophobicContact CG2-CZ 3.27Å; L70-F98 HydrophobicContact CD2-CE1 3.45Å; L70-F98 VanDerWaalsContact CD2-CE1 3.45Å; L70-F98 HydrophobicContact CD2-CZ 3.59Å; L70-F98 HydrophobicContact CG-CE1 4.29Å; L70-F98 HydrophobicContact CG-CZ 3.92Å; I74-F98 HydrophobicContact CD1-CE1 4.44Å; F94-F98 VanDerWaalsContact O-CB 3.23Å; F94-F98 WeakPolarHBondContact O-CB 3.27Å; F94-F98 PolarHBondContact O-N 3.1Å; H95-F98 WeakPolarHBondContact O-CB 3.45Å; H95-F98 PolarHBondContact O-N 3.5Å; E96-F98 VanDerWaalsContact C-N 3.33Å; E96-F98 PolarHBondContact O-N 3.17Å; F98-M100 VanDerWaalsContact C-N 3.35Å; F98-M100 PolarHBondContact O-N 3.09Å; F98-N101 PolarHBondContact O-N 3.2Å; F98-N101 VanDerWaalsContact O-N 3.11Å; F98-C102 WeakPolarHBondContact CZ-SG 3.17Å; F98-C102 PolarHBondContact O-N 3.25Å; F98-C102 PolarHBondContact O-SG 3.01Å
99V85.9Confident87Confident41 Ų4166.8 Ų66.825%0.24834%0.34CS..Hα-helixtrans-60-44.7179172.10000111.2H95 E96 N101 C102 K103H95-V99 WeakPolarHBondContact O-CG2 3.42Å; H95-V99 PolarHBondContact O-N 3.05Å; E96-V99 PolarHBondContact O-N 3.16Å; V99-N101 VanDerWaalsContact C-N 3.28Å; V99-N101 PolarHBondContact O-N 2.89Å; V99-C102 PolarHBondContact O-N 3.17Å; V99-K103 HydrophobicContact CG1-CD 4.25Å; V99-K103 HydrophobicContact CG1-CG 4.5Å; V99-K103 WeakPolarHBondContact O-CG 3.37Å; V99-K103 PolarHBondContact O-N 3.29Å
100M89.3Confident87.3Confident46 Ų4663.3 Ų63.323%0.22732%0.322CS..Hα-helixtrans-56.3-43.3175.6-178.5-162.680.600111.4D4 Y38 E96 L97 F98 K103 R104D4-M100 HydrophobicContact CB-CE 3.74Å; D4-M100 HydrophobicContact CB-SD 3.77Å; Y38-M100 WeakPolarHBondContact OH-CE 3.49Å; E96-M100 WeakPolarHBondContact O-CB 3.34Å; E96-M100 PolarHBondContact O-N 3.29Å; L97-M100 HydrophobicContact CD1-CE 3.81Å; F98-M100 VanDerWaalsContact C-N 3.35Å; F98-M100 PolarHBondContact O-N 3.09Å; M100-K103 PolarHBondContact O-N 3.36Å; M100-R104 WeakPolarHBondContact O-CB 3.24Å; M100-R104 PolarHBondContact O-N 2.9Å
101N93.1Very high87.9Confident1 Ų165.2 Ų65.21%0.00533%0.325CS..Hα-helixtrans-70.9-37.8178.9-85.8-88.4000113.2P34 A37 L97 F98 V99 R104 V105P34-N101 WeakPolarHBondContact CA-OD1 3.44Å; P34-N101 VanDerWaalsContact CB-CG 3.48Å; P34-N101 WeakPolarHBondContact CB-ND2 3.4Å; P34-N101 WeakPolarHBondContact CB-OD1 3.4Å; P34-N101 PolarHBondContact O-OD1 2.84Å; A37-N101 WeakPolarHBondContact CB-OD1 3.31Å; L97-N101 WeakPolarHBondContact CD1-ND2 3.39Å; L97-N101 WeakPolarHBondContact O-CB 3.38Å; L97-N101 PolarHBondContact O-N 2.92Å; L97-N101 PolarHBondContact O-ND2 2.91Å; F98-N101 PolarHBondContact O-N 3.2Å; F98-N101 VanDerWaalsContact O-N 3.11Å; V99-N101 VanDerWaalsContact C-N 3.28Å; V99-N101 PolarHBondContact O-N 2.89Å; N101-R104 PolarHBondContact O-N 3.4Å; N101-V105 WeakPolarHBondContact O-CG2 3.38Å; N101-V105 PolarHBondContact O-N 3.2Å; N101-V105 VanDerWaalsContact O-N 3.08Å
102C91.7Very high88.4Confident3 Ų363.4 Ų63.42%0.0232%0.315CS..Hα-helixtrans-62.8-44.6173.2-69.80000111.3F98 V99 R104 V105 F106 F112F98-C102 WeakPolarHBondContact CZ-SG 3.17Å; F98-C102 PolarHBondContact O-N 3.25Å; F98-C102 PolarHBondContact O-SG 3.01Å; V99-C102 PolarHBondContact O-N 3.17Å; C102-R104 VanDerWaalsContact C-N 3.31Å; C102-R104 PolarHBondContact O-N 2.92Å; C102-V105 PolarHBondContact O-N 3.47Å; C102-F106 HydrophobicContact CB-CD2 4.35Å; C102-F106 WeakPolarHBondContact O-CB 3.3Å; C102-F106 VanDerWaalsContact O-CD2 3.3Å; C102-F106 WeakPolarHBondContact O-CD2 3.44Å; C102-F106 PolarHBondContact O-N 3.29Å; C102-F112 HydrophobicContact CB-CE1 3.78Å; C102-F112 HydrophobicContact CB-CE2 4.38Å; C102-F112 HydrophobicContact CB-CZ 3.56Å
103K91.2Very high89Confident80 Ų8061.9 Ų61.935%0.34831%0.311SS..Hα-helixtrans-62.2-38.2175.5-73.4-177.2175.1-170.10112.5V99 M100 V105 G107 F112V99-K103 HydrophobicContact CG1-CD 4.25Å; V99-K103 HydrophobicContact CG1-CG 4.5Å; V99-K103 WeakPolarHBondContact O-CG 3.37Å; V99-K103 PolarHBondContact O-N 3.29Å; M100-K103 PolarHBondContact O-N 3.36Å; K103-V105 VanDerWaalsContact C-N 3.31Å; K103-V105 PolarHBondContact O-N 2.68Å; K103-G107 CarbonylContact O-C 3.59Å; K103-G107 WeakPolarHBondContact O-CA 3.46Å; K103-G107 PolarHBondContact O-N 3.03Å; K103-F112 HydrophobicContact CG-CE2 4.26Å
104R92.5Very high89.5Confident78 Ų7859.2 Ų59.229%0.29430%0.301SS..Hα-helixtrans-63.1-36.3174.5-174174173.886.48.3113A37 Y38 E41 M100 N101 C102A37-R104 HydrophobicContact CB-CB 4.41Å; A37-R104 HydrophobicContact CB-CG 4.21Å; A37-R104 PolarHBondContact O-NE 2.78Å; Y38-R104 VanDerWaalsContact CE1-NE 3.34Å; E41-R104 IonicContact OE1-CZ 3.67Å; E41-R104 IonicContact OE1-NH2 3.2Å; E41-R104 PolarHBondContact OE1-NH2 3.11Å; E41-R104 IonicContact OE2-NH2 3.7Å; E41-R104 PolarHBondContact OE2-NH2 3.36Å; M100-R104 WeakPolarHBondContact O-CB 3.24Å; M100-R104 PolarHBondContact O-N 2.9Å; N101-R104 PolarHBondContact O-N 3.4Å; C102-R104 VanDerWaalsContact C-N 3.31Å; C102-R104 PolarHBondContact O-N 2.92Å
105V93.9Very high90.1Very high13 Ų1354.9 Ų54.98%0.07928%0.284CS..Hα-helixtrans-80.8-44.6-179.8165.10000112.5A37 N101 C102 K103 W125A37-V105 HydrophobicContact CB-CG2 3.64Å; N101-V105 WeakPolarHBondContact O-CG2 3.38Å; N101-V105 PolarHBondContact O-N 3.2Å; N101-V105 VanDerWaalsContact O-N 3.08Å; C102-V105 PolarHBondContact O-N 3.47Å; K103-V105 VanDerWaalsContact C-N 3.31Å; K103-V105 PolarHBondContact O-N 2.68Å; V105-W125 HydrophobicContact CB-CE3 4.22Å; V105-W125 HydrophobicContact CB-CZ3 4.2Å; V105-W125 HydrophobicContact CG1-CB 4.44Å; V105-W125 HydrophobicContact CG1-CD2 3.64Å; V105-W125 HydrophobicContact CG1-CE3 3.65Å; V105-W125 HydrophobicContact CG1-CG 3.98Å; V105-W125 HydrophobicContact CG1-CH2 4.47Å; V105-W125 HydrophobicContact CG1-CZ3 4.08Å; V105-W125 HydrophobicContact CG2-CE3 4.38Å; V105-W125 HydrophobicContact CG2-CH2 3.87Å; V105-W125 HydrophobicContact CG2-CZ2 4.25Å; V105-W125 HydrophobicContact CG2-CZ3 3.95Å
106F92.9Very high90.8Very high33 Ų3355.5 Ų55.515%0.14529%0.293CS..Hα-helixtrans-103.9-12.4-170.5-61.7-66.7000114.3W61 C102 M110 F112W61-F106 HydrophobicContact CH2-CE1 4.44Å; W61-F106 HydrophobicContact CH2-CZ 4.25Å; W61-F106 HydrophobicContact CZ2-CE1 4.42Å; W61-F106 AromaticContact CZ2-CZ 3.9Å; W61-F106 HydrophobicContact CZ2-CZ 3.9Å; C102-F106 HydrophobicContact CB-CD2 4.35Å; C102-F106 WeakPolarHBondContact O-CB 3.3Å; C102-F106 VanDerWaalsContact O-CD2 3.3Å; C102-F106 WeakPolarHBondContact O-CD2 3.44Å; C102-F106 PolarHBondContact O-N 3.29Å; F106-M110 HydrophobicContact CB-CB 4.02Å; F106-M110 HydrophobicContact CB-CE 4.15Å; F106-M110 HydrophobicContact CB-CG 3.67Å; F106-M110 HydrophobicContact CB-SD 3.87Å; F106-M110 HydrophobicContact CD1-CE 4.26Å; F106-M110 HydrophobicContact CG-CE 4.27Å; F106-M110 HydrophobicContact CG-CG 4.5Å; F106-F112 HydrophobicContact CB-CE1 4.26Å; F106-F112 HydrophobicContact CB-CZ 4.46Å; F106-F112 AromaticContact CD2-CE1 3.78Å; F106-F112 HydrophobicContact CD2-CE1 3.78Å; F106-F112 HydrophobicContact CD2-CZ 4.42Å; F106-F112 HydrophobicContact CG-CE1 4.32Å
107G91.6Very high91.3Very high33 Ų3352.8 Ų52.834%0.3428%0.283SS..  trans101.8152.5-174.400000113.2K103 N109 M110K103-G107 CarbonylContact O-C 3.59Å; K103-G107 WeakPolarHBondContact O-CA 3.46Å; K103-G107 PolarHBondContact O-N 3.03Å; G107-N109 VanDerWaalsContact C-N 3.26Å; G107-N109 PolarHBondContact O-N 2.96Å; G107-M110 VanDerWaalsContact O-CB 3.3Å; G107-M110 WeakPolarHBondContact O-CB 3.07Å; G107-M110 PolarHBondContact O-N 3.46Å
108D88.5Confident91.7Very high120 Ų12050.5 Ų50.564%0.64227%0.272SS*.THydrogen-bonded Turntrans-64.7-28.6-176.7-74.1-40.4000114.1
109N88.6Confident92.1Very high165 Ų16549.3 Ų49.388%0.88227%0.267SS*.THydrogen-bonded Turntrans-96.914.3-176.8-60.6-36.2000112.9G107 D111G107-N109 VanDerWaalsContact C-N 3.26Å; G107-N109 PolarHBondContact O-N 2.96Å; N109-D111 PolarHBondContact O-N 2.91Å
110M89.9Confident92.6Very high26 Ų2652.3 Ų52.313%0.12828%0.282CS..  trans-66.4127179.4-17473.7172.500111F106 G107 F112 S117 M118F106-M110 HydrophobicContact CB-CB 4.02Å; F106-M110 HydrophobicContact CB-CE 4.15Å; F106-M110 HydrophobicContact CB-CG 3.67Å; F106-M110 HydrophobicContact CB-SD 3.87Å; F106-M110 HydrophobicContact CD1-CE 4.26Å; F106-M110 HydrophobicContact CG-CE 4.27Å; F106-M110 HydrophobicContact CG-CG 4.5Å; G107-M110 VanDerWaalsContact O-CB 3.3Å; G107-M110 WeakPolarHBondContact O-CB 3.07Å; G107-M110 PolarHBondContact O-N 3.46Å; M110-F112 HydrophobicContact CB-CE1 4.12Å; M110-F112 HydrophobicContact CB-CE2 4.09Å; M110-F112 HydrophobicContact CB-CZ 3.79Å; M110-F112 HydrophobicContact CG-CD1 3.96Å; M110-F112 HydrophobicContact CG-CE1 3.61Å; M110-F112 HydrophobicContact CG-CE2 4.36Å; M110-F112 HydrophobicContact CG-CG 4.46Å; M110-F112 HydrophobicContact CG-CZ 3.83Å; M110-F112 PolarHBondContact O-N 2.89Å; M110-S117 WeakPolarHBondContact CE-O 3.34Å; M110-S117 PolarHBondContact SD-OG 3.36Å; M110-S117 VanDerWaalsContact SD-OG 3.36Å; M110-M118 HydrophobicContact CE-CB 4.5Å; M110-M118 HydrophobicContact CE-CG 4.45Å; M110-M118 HydrophobicContact CE-SD 4Å
111D91.3Very high92.9Very high70 Ų7050.5 Ų50.537%0.37428%0.275SS..  trans-86.392.4172.3-178.8-3.8000109.5N109 T113 N114 S117N109-D111 PolarHBondContact O-N 2.91Å; D111-T113 PolarHBondContact O-N 2.79Å; D111-T113 VanDerWaalsContact O-N 3.14Å; D111-T113 WeakPolarHBondContact OD1-CA 3.39Å; D111-T113 WeakPolarHBondContact OD1-CB 3.42Å; D111-T113 PolarHBondContact OD1-N 3.24Å; D111-T113 PolarHBondContact OD1-OG1 2.92Å; D111-N114 HydrophobicContact CB-CB 4.07Å; D111-N114 PolarHBondContact O-N 2.66Å; D111-N114 PolarHBondContact OD1-N 2.82Å; D111-N114 VanDerWaalsContact OD2-CB 3.24Å; D111-N114 WeakPolarHBondContact OD2-CB 3.18Å; D111-S117 PolarHBondContact N-OG 3.26Å; D111-S117 WeakPolarHBondContact O-CB 3.36Å; D111-S117 PolarHBondContact O-OG 3.23Å
112F91Very high93Very high21 Ų2151.1 Ų51.19%0.09228%0.278CS..THydrogen-bonded Turntrans-65.3-12.7178.3-63.3-68.7000113.2R66 L70 C102 K103 F106 M110 M118R66-F112 PolarHBondContact NH1-O 3.49Å; R66-F112 PolarHBondContact NH2-O 2.83Å; L70-F112 HydrophobicContact CD1-CD1 3.83Å; L70-F112 HydrophobicContact CD1-CE1 4.36Å; C102-F112 HydrophobicContact CB-CE1 3.78Å; C102-F112 HydrophobicContact CB-CE2 4.38Å; C102-F112 HydrophobicContact CB-CZ 3.56Å; K103-F112 HydrophobicContact CG-CE2 4.26Å; F106-F112 HydrophobicContact CB-CE1 4.26Å; F106-F112 HydrophobicContact CB-CZ 4.46Å; F106-F112 AromaticContact CD2-CE1 3.78Å; F106-F112 HydrophobicContact CD2-CE1 3.78Å; F106-F112 HydrophobicContact CD2-CZ 4.42Å; F106-F112 HydrophobicContact CG-CE1 4.32Å; M110-F112 HydrophobicContact CB-CE1 4.12Å; M110-F112 HydrophobicContact CB-CE2 4.09Å; M110-F112 HydrophobicContact CB-CZ 3.79Å; M110-F112 HydrophobicContact CG-CD1 3.96Å; M110-F112 HydrophobicContact CG-CE1 3.61Å; M110-F112 HydrophobicContact CG-CE2 4.36Å; M110-F112 HydrophobicContact CG-CG 4.46Å; M110-F112 HydrophobicContact CG-CZ 3.83Å; M110-F112 PolarHBondContact O-N 2.89Å; F112-M118 HydrophobicContact CD1-SD 3.74Å
113T90.6Very high93.3Very high53 Ų5353.6 Ų53.633%0.32529%0.293SS..THydrogen-bonded Turntrans-87.5-17.6177.575.20000113R66 I74 D75 D111R66-T113 VanDerWaalsContact NH2-C 3.33Å; R66-T113 PolarHBondContact NH2-O 3.27Å; I74-T113 HydrophobicContact CG2-CG2 4.48Å; D75-T113 HydrophobicContact CB-CG2 4.43Å; D75-T113 VanDerWaalsContact OD2-CG2 3.22Å; D75-T113 WeakPolarHBondContact OD2-CG2 3.47Å; D111-T113 PolarHBondContact O-N 2.79Å; D111-T113 VanDerWaalsContact O-N 3.14Å; D111-T113 WeakPolarHBondContact OD1-CA 3.39Å; D111-T113 WeakPolarHBondContact OD1-CB 3.42Å; D111-T113 PolarHBondContact OD1-N 3.24Å; D111-T113 PolarHBondContact OD1-OG1 2.92Å
114N93.4Very high93.5Very high66 Ų6654.2 Ų54.235%0.35330%0.3SS..  trans-97.2126-178.1-176-66.3000112.2D111 T116 S117 M118D111-N114 HydrophobicContact CB-CB 4.07Å; D111-N114 PolarHBondContact O-N 2.66Å; D111-N114 PolarHBondContact OD1-N 2.82Å; D111-N114 VanDerWaalsContact OD2-CB 3.24Å; D111-N114 WeakPolarHBondContact OD2-CB 3.18Å; N114-T116 WeakPolarHBondContact OD1-CA 3.33Å; N114-T116 VanDerWaalsContact OD1-CB 3.29Å; N114-T116 WeakPolarHBondContact OD1-CB 3.18Å; N114-T116 PolarHBondContact OD1-N 3.47Å; N114-S117 PolarHBondContact O-N 3.26Å; N114-S117 PolarHBondContact OD1-N 2.92Å; N114-M118 VanDerWaalsContact O-CG 3.31Å; N114-M118 WeakPolarHBondContact O-CG 3.21Å; N114-M118 PolarHBondContact O-N 3.08Å
115D95.6Very high93.7Very high46 Ų4652.4 Ų52.425%0.24629%0.293CS..Hα-helixtrans-69.4-39.1-176.7-71.3-13.5000112.8L62 R66 K72 S117 M118 L119L62-D115 HydrophobicContact CD2-CB 3.69Å; R66-D115 IonicContact CZ-OD1 2.75Å; R66-D115 VanDerWaalsContact CZ-OD1 3.26Å; R66-D115 IonicContact NE-OD1 3.79Å; R66-D115 PolarHBondContact NE-OD1 2.88Å; R66-D115 IonicContact NH2-OD1 3.97Å; R66-D115 PolarHBondContact NH2-OD1 2.83Å; K72-D115 VanDerWaalsContact CE-CG 3.5Å; K72-D115 WeakPolarHBondContact CE-OD1 3.42Å; K72-D115 WeakPolarHBondContact CE-OD2 3.31Å; K72-D115 IonicContact NZ-OD1 2.78Å; K72-D115 IonicContact NZ-OD2 3.78Å; K72-D115 PolarHBondContact NZ-OD2 3.18Å; D115-S117 VanDerWaalsContact C-N 3.32Å; D115-S117 PolarHBondContact O-N 3.41Å; D115-M118 WeakPolarHBondContact O-CB 3.16Å; D115-M118 PolarHBondContact O-N 3.03Å; D115-L119 VanDerWaalsContact O-CG 3.31Å; D115-L119 WeakPolarHBondContact O-CG 3.48Å; D115-L119 PolarHBondContact O-N 3.32Å
116T95.9Very high93.9Very high89 Ų8952.7 Ų52.755%0.54629%0.294SS..Hα-helixtrans-62-42174.6-52.90000111.2N114 N120N114-T116 WeakPolarHBondContact OD1-CA 3.33Å; N114-T116 VanDerWaalsContact OD1-CB 3.29Å; N114-T116 WeakPolarHBondContact OD1-CB 3.18Å; N114-T116 PolarHBondContact OD1-N 3.47Å; T116-N120 WeakPolarHBondContact O-CB 3.03Å; T116-N120 VanDerWaalsContact O-CG 3.22Å; T116-N120 PolarHBondContact O-N 3.43Å; T116-N120 PolarHBondContact O-ND2 3.18Å
117S95.1Very high94.1Very high27 Ų2755.7 Ų55.719%0.18931%0.308CS..Hα-helixtrans-59.1-51.7174.5-171.70000110.1M110 D111 N114 D115 L119 N120 G121M110-S117 WeakPolarHBondContact CE-O 3.34Å; M110-S117 PolarHBondContact SD-OG 3.36Å; M110-S117 VanDerWaalsContact SD-OG 3.36Å; D111-S117 PolarHBondContact N-OG 3.26Å; D111-S117 WeakPolarHBondContact O-CB 3.36Å; D111-S117 PolarHBondContact O-OG 3.23Å; N114-S117 PolarHBondContact O-N 3.26Å; N114-S117 PolarHBondContact OD1-N 2.92Å; D115-S117 VanDerWaalsContact C-N 3.32Å; D115-S117 PolarHBondContact O-N 3.41Å; S117-L119 PolarHBondContact O-N 3.42Å; S117-N120 PolarHBondContact O-N 2.91Å; S117-G121 PolarHBondContact O-N 3.18Å
118M95.1Very high94.4Very high0 Ų056 Ų560%030%0.304CS..Hα-helixtrans-54.5-48.7177.7-74.3-68.3-7200113.6W61 L62 L70 M110 F112 N114 D115 G121 F122W61-M118 HydrophobicContact CH2-CB 4.34Å; W61-M118 HydrophobicContact CH2-CE 3.5Å; W61-M118 HydrophobicContact CH2-SD 4.47Å; W61-M118 HydrophobicContact CZ2-CE 4.17Å; W61-M118 HydrophobicContact CZ3-CB 4.17Å; W61-M118 HydrophobicContact CZ3-CE 4.2Å; W61-M118 WeakPolarHBondContact CZ3-O 3.31Å; L62-M118 HydrophobicContact CD1-CB 3.65Å; L62-M118 HydrophobicContact CD1-CG 4.24Å; L70-M118 HydrophobicContact CB-CE 4.25Å; L70-M118 HydrophobicContact CD1-CE 3.45Å; L70-M118 VanDerWaalsContact CD1-CE 3.45Å; L70-M118 HydrophobicContact CD1-SD 4.06Å; L70-M118 HydrophobicContact CG-CE 4.47Å; M110-M118 HydrophobicContact CE-CB 4.5Å; M110-M118 HydrophobicContact CE-CG 4.45Å; M110-M118 HydrophobicContact CE-SD 4Å; F112-M118 HydrophobicContact CD1-SD 3.74Å; N114-M118 VanDerWaalsContact O-CG 3.31Å; N114-M118 WeakPolarHBondContact O-CG 3.21Å; N114-M118 PolarHBondContact O-N 3.08Å; D115-M118 WeakPolarHBondContact O-CB 3.16Å; D115-M118 PolarHBondContact O-N 3.03Å; M118-G121 PolarHBondContact O-N 3.08Å; M118-F122 PolarHBondContact O-N 2.87Å
119L96.6Very high94.8Very high25 Ų2550.5 Ų50.513%0.13127%0.274CS..Hα-helixtrans-61.2-47178.3-70.8164.7000111.4P58 E59 L62 D115 S117 G121 F122 V123P58-L119 HydrophobicContact CB-CD2 3.68Å; P58-L119 VanDerWaalsContact O-CD2 3.32Å; P58-L119 WeakPolarHBondContact O-CD2 3.46Å; E59-L119 VanDerWaalsContact OE1-CD1 3.27Å; E59-L119 WeakPolarHBondContact OE1-CD1 3.3Å; L62-L119 HydrophobicContact CB-CD2 3.92Å; L62-L119 HydrophobicContact CD2-CD1 4.03Å; L62-L119 HydrophobicContact CD2-CD2 4.07Å; L62-L119 HydrophobicContact CD2-CG 3.9Å; D115-L119 VanDerWaalsContact O-CG 3.31Å; D115-L119 WeakPolarHBondContact O-CG 3.48Å; D115-L119 PolarHBondContact O-N 3.32Å; S117-L119 PolarHBondContact O-N 3.42Å; L119-G121 VanDerWaalsContact C-N 3.32Å; L119-G121 PolarHBondContact O-N 3.29Å; L119-F122 PolarHBondContact O-N 3.19Å; L119-V123 WeakPolarHBondContact O-CG2 3.21Å; L119-V123 PolarHBondContact O-N 3.11Å
120N95.9Very high95.2Very high103 Ų10346.1 Ų46.155%0.55125%0.25SS*.Hα-helixtrans-61-42.3177.2-72.5-20.4000111.6T116 S117 V123 N124T116-N120 WeakPolarHBondContact O-CB 3.03Å; T116-N120 VanDerWaalsContact O-CG 3.22Å; T116-N120 PolarHBondContact O-N 3.43Å; T116-N120 PolarHBondContact O-ND2 3.18Å; S117-N120 PolarHBondContact O-N 2.91Å; N120-V123 PolarHBondContact O-N 3.43Å; N120-N124 WeakPolarHBondContact O-CB 3.27Å; N120-N124 PolarHBondContact O-N 3.19Å
121G95.8Very high95.6Very high8 Ų852.9 Ų52.98%0.08228%0.279CS..Hα-helixtrans-60.7-44.4176.300000112.5S117 M118 L119 N124 W125S117-G121 PolarHBondContact O-N 3.18Å; M118-G121 PolarHBondContact O-N 3.08Å; L119-G121 VanDerWaalsContact C-N 3.32Å; L119-G121 PolarHBondContact O-N 3.29Å; G121-N124 PolarHBondContact O-N 2.93Å; G121-W125 WeakPolarHBondContact O-CB 3.49Å; G121-W125 PolarHBondContact O-N 2.87Å
122F96.4Very high95.9Very high14 Ų1452.5 Ų52.56%0.06128%0.279CS..Hα-helixtrans-63.1-47.4177.1177.1-107.4000112.6R56 P58 W61 M118 L119 W125 N126R56-F122 HydrophobicContact CG-CZ 4.28Å; P58-F122 HydrophobicContact CB-CD1 4Å; P58-F122 HydrophobicContact CB-CE1 4.29Å; P58-F122 HydrophobicContact CG-CD1 4.18Å; P58-F122 HydrophobicContact CG-CE1 4.19Å; W61-F122 HydrophobicContact CB-CE1 4.23Å; W61-F122 HydrophobicContact CB-CE2 4.33Å; W61-F122 HydrophobicContact CB-CZ 4.1Å; W61-F122 AromaticContact CD1-CD2 3.84Å; W61-F122 AromaticContact CD1-CE2 3.59Å; W61-F122 HydrophobicContact CD2-CB 4.03Å; W61-F122 HydrophobicContact CD2-CD1 4.24Å; W61-F122 AromaticContact CD2-CD2 3.54Å; W61-F122 HydrophobicContact CD2-CD2 3.54Å; W61-F122 HydrophobicContact CD2-CE2 4.01Å; W61-F122 AromaticContact CD2-CG 3.67Å; W61-F122 HydrophobicContact CD2-CG 3.67Å; W61-F122 AromaticContact CE2-CD2 3.49Å; W61-F122 VanDerWaalsContact CE2-CD2 3.49Å; W61-F122 AromaticContact CE2-CG 3.99Å; W61-F122 HydrophobicContact CE3-CB 3.66Å; W61-F122 HydrophobicContact CE3-CD1 4.2Å; W61-F122 HydrophobicContact CE3-CD2 4.09Å; W61-F122 AromaticContact CE3-CG 3.73Å; W61-F122 HydrophobicContact CE3-CG 3.73Å; W61-F122 HydrophobicContact CG-CD1 4.4Å; W61-F122 AromaticContact CG-CD2 3.79Å; W61-F122 HydrophobicContact CG-CD2 3.79Å; W61-F122 HydrophobicContact CG-CE1 4.33Å; W61-F122 AromaticContact CG-CE2 3.71Å; W61-F122 HydrophobicContact CG-CE2 3.71Å; W61-F122 HydrophobicContact CG-CG 4.14Å; W61-F122 AromaticContact CG-CZ 3.98Å; W61-F122 HydrophobicContact CG-CZ 3.98Å; W61-F122 HydrophobicContact CH2-CB 3.71Å; W61-F122 HydrophobicContact CH2-CD2 4.49Å; W61-F122 HydrophobicContact CH2-CG 4.38Å; W61-F122 HydrophobicContact CZ2-CB 4.07Å; W61-F122 HydrophobicContact CZ2-CD2 4Å; W61-F122 HydrophobicContact CZ2-CG 4.34Å; W61-F122 HydrophobicContact CZ3-CB 3.51Å; W61-F122 HydrophobicContact CZ3-CG 4.1Å; W61-F122 AromaticContact NE1-CD2 3.65Å; W61-F122 AromaticContact NE1-CE2 3.79Å; M118-F122 PolarHBondContact O-N 2.87Å; L119-F122 PolarHBondContact O-N 3.19Å; F122-W125 PolarHBondContact O-N 3.07Å; F122-N126 VanDerWaalsContact CE1-ND2 3.32Å; F122-N126 WeakPolarHBondContact CE1-ND2 3.23Å; F122-N126 WeakPolarHBondContact CZ-ND2 3.45Å; F122-N126 PolarHBondContact O-N 3.41Å; F122-N126 VanDerWaalsContact O-N 3.09Å; F122-N126 PolarHBondContact O-ND2 3.46Å
123V96.7Very high96.2Very high56 Ų5651.9 Ų51.934%0.33928%0.277SS..Hα-helixtrans-61.7-46.3177.5172.60000110.7P58 L119 N120 W125 N126 Q127P58-V123 HydrophobicContact CG-CG2 4.11Å; L119-V123 WeakPolarHBondContact O-CG2 3.21Å; L119-V123 PolarHBondContact O-N 3.11Å; N120-V123 PolarHBondContact O-N 3.43Å; V123-W125 PolarHBondContact O-N 2.62Å; V123-N126 PolarHBondContact O-N 3.45Å; V123-Q127 WeakPolarHBondContact O-CG 3.45Å; V123-Q127 PolarHBondContact O-N 2.97Å
124N96.4Very high96.5Very high92 Ų9252.3 Ų52.349%0.49228%0.281SS..Hα-helixtrans-63.5-41.2179.4-176.356.5000112.3N120 G121 Q127 T128N120-N124 WeakPolarHBondContact O-CB 3.27Å; N120-N124 PolarHBondContact O-N 3.19Å; G121-N124 PolarHBondContact O-N 2.93Å; N124-Q127 PolarHBondContact O-N 3.31Å; N124-T128 VanDerWaalsContact O-CB 3.31Å; N124-T128 WeakPolarHBondContact O-CB 3.49Å; N124-T128 PolarHBondContact O-N 2.77Å; N124-T128 PolarHBondContact O-OG1 3.06Å
125W96.9Very high96.6Very high41 Ų4154.4 Ų54.416%0.15530%0.301CS..Hα-helixtrans-58.5-51.4174.6172.7-105.2000111.6Y39 V105 G121 F122 V123 Q127 T128 V129Y39-W125 AromaticContact CD1-CH2 3.59Å; Y39-W125 HydrophobicContact CD1-CH2 3.59Å; Y39-W125 AromaticContact CD1-CZ2 3.96Å; Y39-W125 HydrophobicContact CD1-CZ2 3.96Å; Y39-W125 AromaticContact CE1-CH2 3.43Å; Y39-W125 HydrophobicContact CE1-CH2 3.43Å; Y39-W125 VanDerWaalsContact CE1-CH2 3.43Å; Y39-W125 AromaticContact CE1-CZ2 3.97Å; Y39-W125 HydrophobicContact CE1-CZ2 3.97Å; Y39-W125 AromaticContact CE1-CZ3 3.96Å; Y39-W125 HydrophobicContact CE1-CZ3 3.96Å; V105-W125 HydrophobicContact CB-CE3 4.22Å; V105-W125 HydrophobicContact CB-CZ3 4.2Å; V105-W125 HydrophobicContact CG1-CB 4.44Å; V105-W125 HydrophobicContact CG1-CD2 3.64Å; V105-W125 HydrophobicContact CG1-CE3 3.65Å; V105-W125 HydrophobicContact CG1-CG 3.98Å; V105-W125 HydrophobicContact CG1-CH2 4.47Å; V105-W125 HydrophobicContact CG1-CZ3 4.08Å; V105-W125 HydrophobicContact CG2-CE3 4.38Å; V105-W125 HydrophobicContact CG2-CH2 3.87Å; V105-W125 HydrophobicContact CG2-CZ2 4.25Å; V105-W125 HydrophobicContact CG2-CZ3 3.95Å; G121-W125 WeakPolarHBondContact O-CB 3.49Å; G121-W125 PolarHBondContact O-N 2.87Å; F122-W125 PolarHBondContact O-N 3.07Å; V123-W125 PolarHBondContact O-N 2.62Å; W125-Q127 VanDerWaalsContact C-N 3.33Å; W125-Q127 PolarHBondContact O-N 2.64Å; W125-T128 WeakPolarHBondContact O-CB 3.4Å; W125-T128 PolarHBondContact O-N 3.33Å; W125-T128 VanDerWaalsContact O-N 3.07Å; W125-V129 HydrophobicContact CD2-CG2 4.13Å; W125-V129 HydrophobicContact CH2-CG2 4.48Å; W125-V129 HydrophobicContact CZ2-CG2 3.9Å; W125-V129 WeakPolarHBondContact O-CG2 3.25Å; W125-V129 PolarHBondContact O-N 2.83Å
126N97.6Very high96.6Very high18 Ų1858 Ų5810%0.09632%0.32CS..Hα-helixtrans-59.6-44.7-179.9-68.9-18.4000111.5L53 F122 V123 T128 V129 I130L53-N126 HydrophobicContact CD2-CB 4.41Å; F122-N126 VanDerWaalsContact CE1-ND2 3.32Å; F122-N126 WeakPolarHBondContact CE1-ND2 3.23Å; F122-N126 WeakPolarHBondContact CZ-ND2 3.45Å; F122-N126 PolarHBondContact O-N 3.41Å; F122-N126 VanDerWaalsContact O-N 3.09Å; F122-N126 PolarHBondContact O-ND2 3.46Å; V123-N126 PolarHBondContact O-N 3.45Å; N126-T128 VanDerWaalsContact C-N 3.31Å; N126-T128 PolarHBondContact O-N 3.23Å; N126-V129 PolarHBondContact O-N 2.93Å; N126-I130 WeakPolarHBondContact O-CD1 3.5Å; N126-I130 VanDerWaalsContact O-CG1 3.24Å; N126-I130 WeakPolarHBondContact O-CG1 3.18Å; N126-I130 PolarHBondContact O-N 3.43Å
127Q97.4Very high96.7Very high96 Ų9656 Ų5645%0.44930%0.302SS..Hα-helixtrans-62.4-39.1175.5-72-178.10.300112.2V123 N124 W125 I130 K131V123-Q127 WeakPolarHBondContact O-CG 3.45Å; V123-Q127 PolarHBondContact O-N 2.97Å; N124-Q127 PolarHBondContact O-N 3.31Å; W125-Q127 VanDerWaalsContact C-N 3.33Å; W125-Q127 PolarHBondContact O-N 2.64Å; Q127-I130 PolarHBondContact O-N 3.25Å; Q127-K131 WeakPolarHBondContact O-CB 3.1Å; Q127-K131 VanDerWaalsContact O-CG 3.28Å; Q127-K131 WeakPolarHBondContact O-CG 3.5Å; Q127-K131 PolarHBondContact O-N 3.29Å
128T97Very high96.9Very high40 Ų4056 Ų5625%0.24530%0.3CS..Hα-helixtrans-64.5-44.4178.7-62.90000111.4N124 W125 N126 K131 T132N124-T128 VanDerWaalsContact O-CB 3.31Å; N124-T128 WeakPolarHBondContact O-CB 3.49Å; N124-T128 PolarHBondContact O-N 2.77Å; N124-T128 PolarHBondContact O-OG1 3.06Å; W125-T128 WeakPolarHBondContact O-CB 3.4Å; W125-T128 PolarHBondContact O-N 3.33Å; W125-T128 VanDerWaalsContact O-N 3.07Å; N126-T128 VanDerWaalsContact C-N 3.31Å; N126-T128 PolarHBondContact O-N 3.23Å; T128-K131 PolarHBondContact O-N 3.18Å; T128-T132 WeakPolarHBondContact O-CB 3.47Å; T128-T132 PolarHBondContact O-N 3.14Å; T128-T132 PolarHBondContact O-OG1 2.75Å
129V97.7Very high97Very high4 Ų457.2 Ų57.22%0.02431%0.306CS..Hα-helixtrans-62.1-47.8175.6177.10000110.5Y39 V51 L53 W125 N126 K131 T132 V133 L138Y39-V129 HydrophobicContact CE1-CG2 3.89Å; Y39-V129 HydrophobicContact CE2-CG1 4.37Å; Y39-V129 HydrophobicContact CE2-CG2 4.39Å; V51-V129 HydrophobicContact CG1-CG1 4.41Å; L53-V129 HydrophobicContact CB-CG1 4.23Å; L53-V129 HydrophobicContact CD1-CB 4.25Å; L53-V129 HydrophobicContact CD1-CG1 4.14Å; L53-V129 HydrophobicContact CD1-CG2 4.38Å; L53-V129 HydrophobicContact CD2-CB 4.09Å; L53-V129 HydrophobicContact CD2-CG1 4.06Å; L53-V129 HydrophobicContact CG-CG1 4.37Å; W125-V129 HydrophobicContact CD2-CG2 4.13Å; W125-V129 HydrophobicContact CH2-CG2 4.48Å; W125-V129 HydrophobicContact CZ2-CG2 3.9Å; W125-V129 WeakPolarHBondContact O-CG2 3.25Å; W125-V129 PolarHBondContact O-N 2.83Å; N126-V129 PolarHBondContact O-N 2.93Å; V129-K131 VanDerWaalsContact C-N 3.29Å; V129-K131 PolarHBondContact O-N 2.85Å; V129-T132 PolarHBondContact O-N 2.87Å; V129-T132 VanDerWaalsContact O-N 3.16Å; V129-V133 HydrophobicContact CG1-CG2 4.04Å; V129-V133 WeakPolarHBondContact O-CG2 3.42Å; V129-V133 PolarHBondContact O-N 3.4Å; V129-L138 HydrophobicContact CG1-CD1 4.31Å
130I97.9Very high97.1Very high73 Ų7362.3 Ų62.337%0.37433%0.327SS..Hα-helixtrans-58.8-39.9179-68.1164.6000111.9L53 N126 Q127 L138 K140L53-I130 HydrophobicContact CD2-CD1 4.01Å; L53-I130 HydrophobicContact CD2-CG1 3.61Å; N126-I130 WeakPolarHBondContact O-CD1 3.5Å; N126-I130 VanDerWaalsContact O-CG1 3.24Å; N126-I130 WeakPolarHBondContact O-CG1 3.18Å; N126-I130 PolarHBondContact O-N 3.43Å; Q127-I130 PolarHBondContact O-N 3.25Å; I130-L138 HydrophobicContact CB-CD2 4.44Å; I130-L138 HydrophobicContact CG1-CD2 4.27Å; I130-K140 HydrophobicContact CD1-CD 4.17Å
131K97.5Very high97.2Very high169 Ų16957.7 Ų57.774%0.73530%0.302SS*.Hα-helixtrans-74.2-29.5178.8-73.1173.6-178.5176.60113.4Q127 T128 V129Q127-K131 WeakPolarHBondContact O-CB 3.1Å; Q127-K131 VanDerWaalsContact O-CG 3.28Å; Q127-K131 WeakPolarHBondContact O-CG 3.5Å; Q127-K131 PolarHBondContact O-N 3.29Å; T128-K131 PolarHBondContact O-N 3.18Å; V129-K131 VanDerWaalsContact C-N 3.29Å; V129-K131 PolarHBondContact O-N 2.85Å
132T96.6Very high97.2Very high62 Ų6260.3 Ų60.338%0.3831%0.314SS..Hα-helixtrans-89.2-38.2-172.1-540000112.6Y39 K40 T128 V129Y39-T132 HydrophobicContact CE2-CG2 4.35Å; Y39-T132 PolarHBondContact OH-OG1 3.48Å; K40-T132 HydrophobicContact CD-CG2 3.92Å; K40-T132 HydrophobicContact CG-CG2 4.04Å; T128-T132 WeakPolarHBondContact O-CB 3.47Å; T128-T132 PolarHBondContact O-N 3.14Å; T128-T132 PolarHBondContact O-OG1 2.75Å; V129-T132 PolarHBondContact O-N 2.87Å; V129-T132 VanDerWaalsContact O-N 3.16Å
133V97.8Very high97.1Very high7 Ų764 Ų644%0.04233%0.334CS..SBendtrans-85.4130.6-174.7-174.10000110.1Y39 L43 V51 V129 S135 R137 L138Y39-V133 HydrophobicContact CD2-CG2 3.92Å; Y39-V133 HydrophobicContact CE2-CG2 3.65Å; L43-V133 HydrophobicContact CD1-CG1 4.06Å; L43-V133 HydrophobicContact CD1-CG2 3.95Å; V51-V133 HydrophobicContact CB-CG1 4.03Å; V51-V133 HydrophobicContact CB-CG2 4.37Å; V51-V133 HydrophobicContact CG1-CG2 4.41Å; V51-V133 HydrophobicContact CG2-CG1 3.78Å; V51-V133 HydrophobicContact CG2-CG2 4.02Å; V129-V133 HydrophobicContact CG1-CG2 4.04Å; V129-V133 WeakPolarHBondContact O-CG2 3.42Å; V129-V133 PolarHBondContact O-N 3.4Å; V133-S135 PolarHBondContact O-N 3.36Å; V133-R137 HydrophobicContact CG1-CB 4.28Å; V133-L138 HydrophobicContact CB-CB 4.17Å; V133-L138 HydrophobicContact CB-CD1 4.25Å; V133-L138 HydrophobicContact CB-CD2 4.36Å; V133-L138 HydrophobicContact CB-CG 4.49Å; V133-L138 HydrophobicContact CG1-CB 3.84Å; V133-L138 HydrophobicContact CG1-CD1 4.32Å
134P96.4Very high96.9Very high63 Ų6366 Ų6641%0.40935%0.35SS..  trans-52.4133.5172.3-27.235.6000112D136 R137 L138P134-D136 WeakPolarHBondContact CB-OD1 3.37Å; P134-D136 PolarHBondContact O-N 3.43Å; P134-R137 CarbonylContact O-C 3.54Å; P134-R137 WeakPolarHBondContact O-CA 3.46Å; P134-R137 PolarHBondContact O-N 3.43Å; P134-L138 PolarHBondContact O-N 3.37Å
135S96.5Very high96.9Very high109 Ų10966.8 Ų66.876%0.76235%0.351SS*.G310 helixtrans-61.5-28.7-171.458.70000114.4V133 R137 L138V133-S135 PolarHBondContact O-N 3.36Å; S135-R137 VanDerWaalsContact C-N 3.26Å; S135-R137 PolarHBondContact O-N 3.35Å; S135-L138 PolarHBondContact O-N 2.9Å
136D96.5Very high96.9Very high121 Ų12165.5 Ų65.565%0.64735%0.35SS*.G310 helixtrans-71.6-20174.762.2-50000113.1P134P134-D136 WeakPolarHBondContact CB-OD1 3.37Å; P134-D136 PolarHBondContact O-N 3.43Å
137R97.1Very high96.9Very high49 Ų4967.4 Ų67.419%0.18536%0.356CS..G310 helixtrans-103.50.7175.5-66.1-179.466.1-177.55.6113.4Y46 P47 A49 V51 V133 P134 S135Y46-R137 PolarHBondContact O-NH2 3Å; P47-R137 PolarHBondContact O-NH1 3.29Å; P47-R137 PolarHBondContact O-NH2 3.41Å; A49-R137 PolarHBondContact O-NE 3.17Å; A49-R137 PolarHBondContact O-NH2 3.05Å; V51-R137 PolarHBondContact N-O 3.03Å; V133-R137 HydrophobicContact CG1-CB 4.28Å; P134-R137 CarbonylContact O-C 3.54Å; P134-R137 WeakPolarHBondContact O-CA 3.46Å; P134-R137 PolarHBondContact O-N 3.43Å; S135-R137 VanDerWaalsContact C-N 3.26Å; S135-R137 PolarHBondContact O-N 3.35Å
138L98.5Very high96.9Very high26 Ų2669.3 Ų69.314%0.13637%0.365CS..EExtended strand (participates in β ladder)trans-116.5126.4-174.8-178.465.6000112.2V51 L53 V129 I130 V133 P134 S135V51-L138 HydrophobicContact CB-CD1 3.94Å; V51-L138 HydrophobicContact CG1-CD1 3.84Å; V51-L138 WeakPolarHBondContact O-CA 3.35Å; L53-L138 HydrophobicContact CB-CD1 4.03Å; V129-L138 HydrophobicContact CG1-CD1 4.31Å; I130-L138 HydrophobicContact CB-CD2 4.44Å; I130-L138 HydrophobicContact CG1-CD2 4.27Å; V133-L138 HydrophobicContact CB-CB 4.17Å; V133-L138 HydrophobicContact CB-CD1 4.25Å; V133-L138 HydrophobicContact CB-CD2 4.36Å; V133-L138 HydrophobicContact CB-CG 4.49Å; V133-L138 HydrophobicContact CG1-CB 3.84Å; V133-L138 HydrophobicContact CG1-CD1 4.32Å; P134-L138 PolarHBondContact O-N 3.37Å; S135-L138 PolarHBondContact O-N 2.9Å
139L98.5Very high96.9Very high26 Ų2668.9 Ų68.914%0.13636%0.363CS..EExtended strand (participates in β ladder)trans-107113.6161.9-179.569.1000109.7V51 I52 L53 Y141 L150 F153V51-L139 PolarHBondContact O-N 3.25Å; I52-L139 WeakPolarHBondContact CA-O 3.24Å; I52-L139 HydrophobicContact CG1-CB 4.44Å; I52-L139 HydrophobicContact CG2-CD2 4.49Å; L53-L139 PolarHBondContact N-O 3.31Å; L139-Y141 HydrophobicContact CD2-CD2 4.29Å; L139-Y141 HydrophobicContact CD2-CG 4.1Å; L139-Y141 PolarHBondContact O-N 2.76Å; L139-L150 HydrophobicContact CD2-CD1 4.33Å; L139-F153 HydrophobicContact CB-CB 4.38Å; L139-F153 HydrophobicContact CB-CD1 3.51Å; L139-F153 HydrophobicContact CB-CD2 3.95Å; L139-F153 HydrophobicContact CB-CE1 3.56Å; L139-F153 HydrophobicContact CB-CE2 4.03Å; L139-F153 HydrophobicContact CB-CG 3.69Å; L139-F153 HydrophobicContact CB-CZ 3.82Å; L139-F153 HydrophobicContact CD1-CB 4.23Å; L139-F153 HydrophobicContact CD1-CG 4.33Å; L139-F153 HydrophobicContact CD2-CB 3.88Å; L139-F153 HydrophobicContact CD2-CD1 3.9Å; L139-F153 HydrophobicContact CD2-CG 4.03Å; L139-F153 HydrophobicContact CG-CB 4.38Å; L139-F153 HydrophobicContact CG-CD1 4.26Å; L139-F153 HydrophobicContact CG-CG 4.22Å
140K98.1Very high97Very high132 Ų13269.9 Ų69.957%0.57437%0.368SS*.EExtended strand (participates in β ladder)trans-79.2113.3162.7-178.6-173.8173.7-173.40107.8V55 I130V55-K140 HydrophobicContact CG1-CD 4.48Å; V55-K140 HydrophobicContact CG1-CG 3.84Å; V55-K140 HydrophobicContact CG2-CG 3.95Å; I130-K140 HydrophobicContact CD1-CD 4.17Å
141Y97.9Very high97Very high6 Ų666.8 Ų66.82%0.02435%0.353CS..EExtended strand (participates in β ladder)trans-124.4119.1-163.8-175.9-140000112I52 L53 T54 V55 L139 I143 Q145 G146 P149 L150 F163I52-Y141 HydrophobicContact CG2-CD1 3.83Å; I52-Y141 HydrophobicContact CG2-CG 4.24Å; L53-Y141 PolarHBondContact O-N 3.31Å; T54-Y141 CarbonylContact C-O 3.56Å; T54-Y141 VanDerWaalsContact CA-O 3.29Å; T54-Y141 WeakPolarHBondContact CA-O 3.49Å; T54-Y141 HydrophobicContact CG2-CD1 4.22Å; V55-Y141 PolarHBondContact N-O 2.98Å; L139-Y141 HydrophobicContact CD2-CD2 4.29Å; L139-Y141 HydrophobicContact CD2-CG 4.1Å; L139-Y141 PolarHBondContact O-N 2.76Å; Y141-I143 HydrophobicContact CD1-CG2 4.31Å; Y141-I143 HydrophobicContact CE1-CG2 4.07Å; Y141-Q145 HydrophobicContact CE2-CB 4.24Å; Y141-G146 PolarHBondContact OH-O 3.48Å; Y141-P149 HydrophobicContact CD2-CG 3.98Å; Y141-P149 HydrophobicContact CE2-CB 4.5Å; Y141-P149 HydrophobicContact CE2-CG 3.56Å; Y141-L150 HydrophobicContact CE1-CB 4.48Å; Y141-L150 HydrophobicContact CE1-CD2 4.48Å; Y141-F163 HydrophobicContact CE1-CZ 4.26Å; Y141-F163 WeakPolarHBondContact OH-CE2 3.37Å; Y141-F163 WeakPolarHBondContact OH-CZ 3.45Å
142D95.9Very high97Very high62 Ų6266.6 Ų66.633%0.33235%0.352SS..EExtended strand (participates in β ladder)trans-90117.5164.6-174.9-30000108V55 S144 Q145V55-D142 HydrophobicContact CG2-CB 4.45Å; D142-S144 PolarHBondContact O-N 3.47Å; D142-S144 VanDerWaalsContact OD1-CB 3.31Å; D142-S144 WeakPolarHBondContact OD1-CB 3.14Å; D142-S144 PolarHBondContact OD1-N 2.92Å; D142-S144 PolarHBondContact OD1-OG 3.22Å; D142-S144 PolarHBondContact OD2-OG 3.46Å; D142-Q145 HydrophobicContact CB-CG 4.11Å; D142-Q145 VanDerWaalsContact O-CB 3.27Å; D142-Q145 WeakPolarHBondContact O-CB 3.33Å; D142-Q145 VanDerWaalsContact O-CG 3.27Å; D142-Q145 WeakPolarHBondContact O-CG 3.35Å; D142-Q145 PolarHBondContact O-N 3.39Å; D142-Q145 PolarHBondContact O-OE1 2.83Å
143I93.7Very high97.1Very high92 Ų9265.2 Ų65.247%0.47234%0.34SS..G310 helixtrans-60.4-21.5-175.261.8171.5000113.2T54 Y141 Q145 G146 F163T54-I143 HydrophobicContact CG2-CG2 3.94Å; Y141-I143 HydrophobicContact CD1-CG2 4.31Å; Y141-I143 HydrophobicContact CE1-CG2 4.07Å; I143-Q145 PolarHBondContact O-N 2.99Å; I143-G146 PolarHBondContact O-N 3.26Å; I143-F163 HydrophobicContact CB-CE1 4.44Å
144S92.6Very high97Very high97 Ų9767.9 Ų67.968%0.67835%0.354SS*.G310 helixtrans-65.9-16.3175.565.90000113.2D142 G146D142-S144 PolarHBondContact O-N 3.47Å; D142-S144 VanDerWaalsContact OD1-CB 3.31Å; D142-S144 WeakPolarHBondContact OD1-CB 3.14Å; D142-S144 PolarHBondContact OD1-N 2.92Å; D142-S144 PolarHBondContact OD1-OG 3.22Å; D142-S144 PolarHBondContact OD2-OG 3.46Å; S144-G146 VanDerWaalsContact C-N 3.27Å; S144-G146 PolarHBondContact O-N 3.37Å
145Q96Very high97.1Very high110 Ų11071.3 Ų71.351%0.51437%0.369SS..G310 helixtrans-75.8-12.5177.3-58.3177-57.500113.3Y141 D142 I143 P149Y141-Q145 HydrophobicContact CE2-CB 4.24Å; D142-Q145 HydrophobicContact CB-CG 4.11Å; D142-Q145 VanDerWaalsContact O-CB 3.27Å; D142-Q145 WeakPolarHBondContact O-CB 3.33Å; D142-Q145 VanDerWaalsContact O-CG 3.27Å; D142-Q145 WeakPolarHBondContact O-CG 3.35Å; D142-Q145 PolarHBondContact O-N 3.39Å; D142-Q145 PolarHBondContact O-OE1 2.83Å; I143-Q145 PolarHBondContact O-N 2.99Å; Q145-P149 HydrophobicContact CB-CG 3.73Å
146G96.6Very high97.1Very high13 Ų1371.1 Ų71.113%0.13436%0.359CS..  trans66.9-156.7176.900000114.6Y141 I143 S144 E148 P149Y141-G146 PolarHBondContact OH-O 3.48Å; I143-G146 PolarHBondContact O-N 3.26Å; S144-G146 VanDerWaalsContact C-N 3.27Å; S144-G146 PolarHBondContact O-N 3.37Å; G146-E148 PolarHBondContact O-N 3.48Å; G146-P149 WeakPolarHBondContact O-CD 3.24Å
147W98.3Very high97.2Very high59 Ų5970.6 Ų70.622%0.22336%0.362CS..Hα-helixtrans-62.7-34.9-167.8-71.9120.7000115.5L150 C151 I158 P159 C161 F163 P164W147-L150 HydrophobicContact CE3-CD2 4.38Å; W147-L150 HydrophobicContact CZ3-CD2 4.31Å; W147-L150 PolarHBondContact O-N 2.87Å; W147-C151 WeakPolarHBondContact O-CB 3.39Å; W147-C151 PolarHBondContact O-N 2.96Å; W147-C151 PolarHBondContact O-SG 3.28Å; W147-C151 VanDerWaalsContact O-SG 3.42Å; W147-I158 HydrophobicContact CB-CG2 3.82Å; W147-I158 HydrophobicContact CG-CG2 4.31Å; W147-P159 HydrophobicContact CD2-CG 3.98Å; W147-P159 HydrophobicContact CE3-CG 4.03Å; W147-P159 HydrophobicContact CH2-CG 4.12Å; W147-P159 HydrophobicContact CZ2-CB 4.37Å; W147-P159 HydrophobicContact CZ2-CG 4.04Å; W147-P159 HydrophobicContact CZ3-CG 4.12Å; W147-C161 PolarHBondContact NE1-O 3.35Å; W147-F163 AromaticContact CD2-CD2 3.6Å; W147-F163 HydrophobicContact CD2-CD2 3.6Å; W147-F163 HydrophobicContact CD2-CE2 4.22Å; W147-F163 AromaticContact CE2-CD2 3.79Å; W147-F163 AromaticContact CE3-CD2 3.91Å; W147-F163 HydrophobicContact CE3-CD2 3.91Å; W147-F163 HydrophobicContact CE3-CE2 4.04Å; W147-F163 AromaticContact CG-CD2 3.92Å; W147-F163 HydrophobicContact CG-CD2 3.92Å; W147-F163 HydrophobicContact CH2-CD2 4.5Å; W147-F163 HydrophobicContact CZ2-CD2 4.25Å; W147-F163 HydrophobicContact CZ3-CD2 4.34Å; W147-F163 HydrophobicContact CZ3-CE2 4.26Å; W147-P164 HydrophobicContact CZ2-CG 4.38Å
148E97.8Very high97.2Very high135 Ų13573.1 Ų73.163%0.63138%0.378SS*.Hα-helixtrans-56.6-57.5-164.9-175.1-179.8169.500114.4G146 L150 C151 K152 I158G146-E148 PolarHBondContact O-N 3.48Å; E148-L150 VanDerWaalsContact C-N 3.29Å; E148-L150 PolarHBondContact O-N 2.66Å; E148-C151 PolarHBondContact O-N 2.97Å; E148-K152 VanDerWaalsContact O-CB 3.26Å; E148-K152 WeakPolarHBondContact O-CB 3.32Å; E148-K152 PolarHBondContact O-N 3.28Å; E148-I158 HydrophobicContact CB-CD1 4.28Å; E148-I158 HydrophobicContact CG-CD1 4.39Å
149P98Very high97.2Very high32 Ų3274.1 Ų74.121%0.20839%0.387CS..Hα-helixtrans-63.4-35-179.325.8-37000112.7Y141 Q145 G146 F153Y141-P149 HydrophobicContact CD2-CG 3.98Å; Y141-P149 HydrophobicContact CE2-CB 4.5Å; Y141-P149 HydrophobicContact CE2-CG 3.56Å; Q145-P149 HydrophobicContact CB-CG 3.73Å; G146-P149 WeakPolarHBondContact O-CD 3.24Å; P149-F153 VanDerWaalsContact O-CB 3.24Å; P149-F153 WeakPolarHBondContact O-CB 3.29Å; P149-F153 PolarHBondContact O-N 3Å
150L97.9Very high97.1Very high25 Ų2581.5 Ų81.513%0.13143%0.426CS..Hα-helixtrans-67.8-52.3179.6178.562.1000111.3I52 L139 Y141 W147 E148 K152 F153 L154 F163I52-L150 HydrophobicContact CD1-CD1 3.4Å; I52-L150 VanDerWaalsContact CD1-CD1 3.4Å; I52-L150 HydrophobicContact CG1-CD1 4.2Å; L139-L150 HydrophobicContact CD2-CD1 4.33Å; Y141-L150 HydrophobicContact CE1-CB 4.48Å; Y141-L150 HydrophobicContact CE1-CD2 4.48Å; W147-L150 HydrophobicContact CE3-CD2 4.38Å; W147-L150 HydrophobicContact CZ3-CD2 4.31Å; W147-L150 PolarHBondContact O-N 2.87Å; E148-L150 VanDerWaalsContact C-N 3.29Å; E148-L150 PolarHBondContact O-N 2.66Å; L150-K152 VanDerWaalsContact C-N 3.35Å; L150-K152 PolarHBondContact O-N 3.24Å; L150-F153 PolarHBondContact O-N 3.42Å; L150-L154 HydrophobicContact CD1-CD1 3.74Å; L150-L154 HydrophobicContact CD1-CG 4.22Å; L150-L154 HydrophobicContact CG-CD1 4.07Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 3.43Å; L150-F163 HydrophobicContact CD2-CE2 4.43Å
151C98.2Very high97.1Very high8 Ų878.4 Ų78.45%0.05442%0.421CS..Hα-helixtrans-61.7-42.6179.1-74.20000111.5W147 E148 L154 N155 L156 P157 I158W147-C151 WeakPolarHBondContact O-CB 3.39Å; W147-C151 PolarHBondContact O-N 2.96Å; W147-C151 PolarHBondContact O-SG 3.28Å; W147-C151 VanDerWaalsContact O-SG 3.42Å; E148-C151 PolarHBondContact O-N 2.97Å; C151-L154 CarbonylContact O-C 3.59Å; C151-L154 PolarHBondContact O-N 2.91Å; C151-N155 PolarHBondContact O-N 3.04Å; C151-L156 WeakPolarHBondContact CB-O 3.34Å; C151-L156 PolarHBondContact O-N 3.42Å; C151-P157 PolarHBondContact SG-O 3.09Å; C151-I158 HydrophobicContact CB-CG1 3.85Å
152K97.8Very high97Very high164 Ų16483.7 Ų83.771%0.71346%0.455SS*.Hα-helixtrans-59.6-47.7174.2-178.3177.3-179.8176.80111.7E148 L150 L154 N155E148-K152 VanDerWaalsContact O-CB 3.26Å; E148-K152 WeakPolarHBondContact O-CB 3.32Å; E148-K152 PolarHBondContact O-N 3.28Å; L150-K152 VanDerWaalsContact C-N 3.35Å; L150-K152 PolarHBondContact O-N 3.24Å; K152-L154 VanDerWaalsContact C-N 3.29Å; K152-L154 PolarHBondContact O-N 3.49Å; K152-N155 PolarHBondContact O-N 3.5Å; K152-N155 PolarHBondContact O-OD1 2.97Å
153F98.2Very high97Very high33 Ų3383.8 Ų83.815%0.14545%0.453CS..Hα-helixtrans-63.4-35.6179.1176.4-114.5000112.7K50 I52 L139 P149 L150K50-F153 HydrophobicContact CB-CE1 3.63Å; K50-F153 HydrophobicContact CB-CZ 3.73Å; K50-F153 HydrophobicContact CD-CD1 4.29Å; K50-F153 HydrophobicContact CD-CE1 3.79Å; K50-F153 HydrophobicContact CD-CE2 4.26Å; K50-F153 HydrophobicContact CD-CZ 3.77Å; K50-F153 HydrophobicContact CG-CE1 4.18Å; K50-F153 HydrophobicContact CG-CZ 3.99Å; K50-F153 PolarHBondContact NZ-O 2.92Å; I52-F153 HydrophobicContact CG1-CD1 4.32Å; I52-F153 HydrophobicContact CG1-CE1 4.09Å; L139-F153 HydrophobicContact CB-CB 4.38Å; L139-F153 HydrophobicContact CB-CD1 3.51Å; L139-F153 HydrophobicContact CB-CD2 3.95Å; L139-F153 HydrophobicContact CB-CE1 3.56Å; L139-F153 HydrophobicContact CB-CE2 4.03Å; L139-F153 HydrophobicContact CB-CG 3.69Å; L139-F153 HydrophobicContact CB-CZ 3.82Å; L139-F153 HydrophobicContact CD1-CB 4.23Å; L139-F153 HydrophobicContact CD1-CG 4.33Å; L139-F153 HydrophobicContact CD2-CB 3.88Å; L139-F153 HydrophobicContact CD2-CD1 3.9Å; L139-F153 HydrophobicContact CD2-CG 4.03Å; L139-F153 HydrophobicContact CG-CB 4.38Å; L139-F153 HydrophobicContact CG-CD1 4.26Å; L139-F153 HydrophobicContact CG-CG 4.22Å; P149-F153 VanDerWaalsContact O-CB 3.24Å; P149-F153 WeakPolarHBondContact O-CB 3.29Å; P149-F153 PolarHBondContact O-N 3Å; L150-F153 PolarHBondContact O-N 3.42Å
154L97.4Very high97Very high63 Ų6383 Ų8333%0.3345%0.454SS..Hα-helixtrans-85.6-6.4179.4-64.2177.8000113.8K50 L150 C151 K152 L156K50-L154 HydrophobicContact CD-CD2 4.23Å; L150-L154 HydrophobicContact CD1-CD1 3.74Å; L150-L154 HydrophobicContact CD1-CG 4.22Å; L150-L154 HydrophobicContact CG-CD1 4.07Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 WeakPolarHBondContact O-CG 3.42Å; L150-L154 PolarHBondContact O-N 3.43Å; C151-L154 CarbonylContact O-C 3.59Å; C151-L154 PolarHBondContact O-N 2.91Å; K152-L154 VanDerWaalsContact C-N 3.29Å; K152-L154 PolarHBondContact O-N 3.49Å; L154-L156 VanDerWaalsContact C-N 3.3Å; L154-L156 HydrophobicContact CB-CB 4.43Å; L154-L156 HydrophobicContact CB-CD1 3.89Å; L154-L156 HydrophobicContact CB-CG 3.99Å; L154-L156 HydrophobicContact CD1-CD1 4.24Å
155N97.4Very high96.9Very high135 Ų13585 Ų8572%0.72245%0.452SS*.THydrogen-bonded Turntrans54.644.4-170.7-60.4-43000112.6C151 K152C151-N155 PolarHBondContact O-N 3.04Å; K152-N155 PolarHBondContact O-N 3.5Å; K152-N155 PolarHBondContact O-OD1 2.97Å
156L97.3Very high96.4Very high105 Ų10585.2 Ų85.255%0.5546%0.461SS..  trans-118.6153.5179.5-67.1176.7000110.8C151 L154C151-L156 WeakPolarHBondContact CB-O 3.34Å; C151-L156 PolarHBondContact O-N 3.42Å; L154-L156 VanDerWaalsContact C-N 3.3Å; L154-L156 HydrophobicContact CB-CB 4.43Å; L154-L156 HydrophobicContact CB-CD1 3.89Å; L154-L156 HydrophobicContact CB-CG 3.99Å; L154-L156 HydrophobicContact CD1-CD1 4.24Å
157P98Very high95.8Very high110 Ų11090.2 Ų90.271%0.71448%0.484SS*.PPolyproline II helixtrans-64.5149.517427.9-34.6000111.3C151 P159C151-P157 PolarHBondContact SG-O 3.09Å; P157-P159 WeakPolarHBondContact O-CD 3.3Å
158I98.2Very high95Very high102 Ų10291.3 Ų91.352%0.52349%0.492SS..PPolyproline II helixtrans-70.9124.2171.3-65.5174.7000108.4W147 E148 C151W147-I158 HydrophobicContact CB-CG2 3.82Å; W147-I158 HydrophobicContact CG-CG2 4.31Å; E148-I158 HydrophobicContact CB-CD1 4.28Å; E148-I158 HydrophobicContact CG-CD1 4.39Å; C151-I158 HydrophobicContact CB-CG1 3.85Å
159P97.7Very high93.9Very high48 Ų4889.6 Ų89.631%0.31248%0.48SS..PPolyproline II helixtrans-62.5145.8176.3-23.534.7000112.4W147 P157 C161W147-P159 HydrophobicContact CD2-CG 3.98Å; W147-P159 HydrophobicContact CE3-CG 4.03Å; W147-P159 HydrophobicContact CH2-CG 4.12Å; W147-P159 HydrophobicContact CZ2-CB 4.37Å; W147-P159 HydrophobicContact CZ2-CG 4.04Å; W147-P159 HydrophobicContact CZ3-CG 4.12Å; P157-P159 WeakPolarHBondContact O-CD 3.3Å; P159-C161 PolarHBondContact O-N 3.18Å
160N96.9Very high92.7Very high180 Ų18091.6 Ų91.696%0.96349%0.489SS*.SBendtrans-83.550.6172.4-16721.9000111.7
161C97.1Very high91.6Very high68 Ų6895.5 Ų95.546%0.45951%0.507SS..SBendtrans-145155.4175.164.30000110.6W147 P159W147-C161 PolarHBondContact NE1-O 3.35Å; P159-C161 PolarHBondContact O-N 3.18Å
162P95.9Very high90.5Very high116 Ų11697.5 Ų97.575%0.75352%0.517SS*.PPolyproline II helixtrans-57.8147.1175.2-23.234000111.7
163F96.5Very high89.4Confident65 Ų6595.1 Ų95.129%0.28550%0.503SS..PPolyproline II helixtrans-62.4132172-167.6-94.6000109.1Y141 I143 W147 L150 H165Y141-F163 HydrophobicContact CE1-CZ 4.26Å; Y141-F163 WeakPolarHBondContact OH-CE2 3.37Å; Y141-F163 WeakPolarHBondContact OH-CZ 3.45Å; I143-F163 HydrophobicContact CB-CE1 4.44Å; W147-F163 AromaticContact CD2-CD2 3.6Å; W147-F163 HydrophobicContact CD2-CD2 3.6Å; W147-F163 HydrophobicContact CD2-CE2 4.22Å; W147-F163 AromaticContact CE2-CD2 3.79Å; W147-F163 AromaticContact CE3-CD2 3.91Å; W147-F163 HydrophobicContact CE3-CD2 3.91Å; W147-F163 HydrophobicContact CE3-CE2 4.04Å; W147-F163 AromaticContact CG-CD2 3.92Å; W147-F163 HydrophobicContact CG-CD2 3.92Å; W147-F163 HydrophobicContact CH2-CD2 4.5Å; W147-F163 HydrophobicContact CZ2-CD2 4.25Å; W147-F163 HydrophobicContact CZ3-CD2 4.34Å; W147-F163 HydrophobicContact CZ3-CE2 4.26Å; L150-F163 HydrophobicContact CD2-CE2 4.43Å; F163-H165 PolarHBondContact O-N 2.99Å
164P94.1Very high88.4Confident75 Ų75102.2 Ų102.249%0.48753%0.529SS..PPolyproline II helixtrans-60.9131.6-176-24.733.9000112.4W147W147-P164 HydrophobicContact CZ2-CG 4.38Å
165H89.5Confident87.3Confident139 Ų139104.6 Ų104.664%0.64454%0.542SS*.  trans-120.794.3171.2-165.677.2000108.9F163 E168F163-H165 PolarHBondContact O-N 2.99Å; H165-E168 IonicContact CD2-OE1 3.86Å; H165-E168 IonicContact CE1-OE1 2.62Å; H165-E168 WeakPolarHBondContact NE2-CG 3.07Å; H165-E168 IonicContact NE2-OE1 2.79Å; H165-E168 PolarHBondContact NE2-OE1 3.27Å; H165-E168 IonicContact NE2-OE2 2.89Å
166V86.7Confident86.3Confident114 Ų114100 Ų10069%0.69152%0.517SS*.  trans-137.9167.7-174.1-62.90000110.3E168V166-E168 VanDerWaalsContact C-N 3.33Å; V166-E168 PolarHBondContact O-N 3.49Å
167N83.6Confident85.3Confident119 Ų11999.7 Ų99.764%0.63651%0.511SS*.  trans61.838.3177.8-163.627.3000113.1Y169N167-Y169 PolarHBondContact O-N 3.21Å
168E81.3Confident84.3Confident81 Ų8198.8 Ų98.838%0.37950%0.5SS..  trans-64.2132.2172.9-69.6-155.9114.700110.1H165 V166 N170 E171 L172H165-E168 IonicContact CD2-OE1 3.86Å; H165-E168 IonicContact CE1-OE1 2.62Å; H165-E168 WeakPolarHBondContact NE2-CG 3.07Å; H165-E168 IonicContact NE2-OE1 2.79Å; H165-E168 PolarHBondContact NE2-OE1 3.27Å; H165-E168 IonicContact NE2-OE2 2.89Å; V166-E168 VanDerWaalsContact C-N 3.33Å; V166-E168 PolarHBondContact O-N 3.49Å; E168-N170 PolarHBondContact O-N 3.41Å; E168-E171 HydrophobicContact CB-CG 4.28Å; E168-E171 WeakPolarHBondContact O-CB 3.43Å; E168-E171 PolarHBondContact O-N 3.27Å; E168-L172 PolarHBondContact O-N 2.91Å; E168-L172 VanDerWaalsContact O-N 3.1Å
169Y74.1Confident83.1Confident99 Ų9999 Ų9939%0.38850%0.499SS..Hα-helixtrans-59.8-26-17470.1-93.5000112.6S67 N167 R173S67-Y169 WeakPolarHBondContact OG-CB 3.29Å; S67-Y169 WeakPolarHBondContact OG-CD2 3.42Å; N167-Y169 PolarHBondContact O-N 3.21Å; Y169-R173 WeakPolarHBondContact O-CB 3.47Å; Y169-R173 PolarHBondContact O-N 3.37Å
170N72.9Confident82.1Confident75 Ų75100.6 Ų100.640%0.40150%0.5SS..Hα-helixtrans-67-38.8174.7-75.2-39.6000112.7E168 R174E168-N170 PolarHBondContact O-N 3.41Å; N170-R174 WeakPolarHBondContact O-CG 3.43Å; N170-R174 PolarHBondContact O-N 2.95Å
171E75.4Confident81.2Confident107 Ų10799.7 Ų99.750%0.548%0.484SS..Hα-helixtrans-69.3-48.9175.5-60.6-173.6145.600110.2E168 R173 R174 L175E168-E171 HydrophobicContact CB-CG 4.28Å; E168-E171 WeakPolarHBondContact O-CB 3.43Å; E168-E171 PolarHBondContact O-N 3.27Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 3.34Å; E171-R174 WeakPolarHBondContact O-CB 3.39Å; E171-R174 PolarHBondContact O-N 2.94Å; E171-L175 PolarHBondContact O-N 2.88Å
172L75Confident80.3Confident49 Ų49102.1 Ų102.126%0.25749%0.491SS..Hα-helixtrans-62-37.9177.9-176.553.1000111.5T68 E168 R174 L175 L176T68-L172 HydrophobicContact CG2-CB 3.76Å; T68-L172 HydrophobicContact CG2-CD2 3.53Å; T68-L172 HydrophobicContact CG2-CG 3.58Å; E168-L172 PolarHBondContact O-N 2.91Å; E168-L172 VanDerWaalsContact O-N 3.1Å; L172-R174 VanDerWaalsContact C-N 3.28Å; L172-R174 PolarHBondContact O-N 3.1Å; L172-L175 PolarHBondContact O-N 3.12Å; L172-L176 HydrophobicContact CD1-CD1 4.18Å; L172-L176 HydrophobicContact CD1-CG 4.13Å; L172-L176 HydrophobicContact CG-CD1 3.86Å; L172-L176 HydrophobicContact CG-CG 4.31Å; L172-L176 WeakPolarHBondContact O-CB 3.27Å; L172-L176 VanDerWaalsContact O-CG 3.3Å; L172-L176 WeakPolarHBondContact O-CG 3.43Å; L172-L176 PolarHBondContact O-N 3.41Å
173R75.1Confident79.2Confident115 Ų11597.9 Ų97.943%0.43446%0.462SS..Hα-helixtrans-60.3-34.6174-176.7-177.1-175-143.14.3112.4Y169 E171 K177Y169-R173 WeakPolarHBondContact O-CB 3.47Å; Y169-R173 PolarHBondContact O-N 3.37Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 3.34Å; R173-K177 HydrophobicContact CG-CD 4.41Å; R173-K177 WeakPolarHBondContact O-CB 3.49Å; R173-K177 VanDerWaalsContact O-CG 3.23Å; R173-K177 WeakPolarHBondContact O-CG 3.36Å; R173-K177 PolarHBondContact O-N 2.93Å
174R76.4Confident78.2Confident182 Ų182101.3 Ų101.369%0.68748%0.476SS*.Hα-helixtrans-66.6-46.3175.6-73174.3176.8163.3-0.1110.7N170 E171 L172 K177 L178N170-R174 WeakPolarHBondContact O-CG 3.43Å; N170-R174 PolarHBondContact O-N 2.95Å; E171-R174 WeakPolarHBondContact O-CB 3.39Å; E171-R174 PolarHBondContact O-N 2.94Å; L172-R174 VanDerWaalsContact C-N 3.28Å; L172-R174 PolarHBondContact O-N 3.1Å; R174-K177 PolarHBondContact O-N 3.33Å; R174-L178 WeakPolarHBondContact O-CG 3.2Å; R174-L178 PolarHBondContact O-N 2.96Å; R174-L178 VanDerWaalsContact O-N 3.08Å
175L74.5Confident77.5Confident113 Ų113104.3 Ų104.359%0.59248%0.482SS*.Hα-helixtrans-61.8-46177.4-64.4175.8000111.7E171 L172 K177 L178 E179E171-L175 PolarHBondContact O-N 2.88Å; L172-L175 PolarHBondContact O-N 3.12Å; L175-K177 VanDerWaalsContact C-N 3.33Å; L175-K177 PolarHBondContact O-N 2.63Å; L175-L178 WeakPolarHBondContact O-CB 3.47Å; L175-L178 PolarHBondContact O-N 3.06Å; L175-L178 VanDerWaalsContact O-N 3.1Å; L175-E179 PolarHBondContact O-N 3.16Å
176L75.4Confident76.8Confident39 Ų3999.2 Ų99.220%0.20446%0.462CS..Hα-helixtrans-66.4-33.4178-68.3169.4000112.8T68 L172 L178 E179 K180T68-L176 HydrophobicContact CG2-CD1 4.19Å; T68-L176 VanDerWaalsContact O-CD1 3.27Å; T68-L176 WeakPolarHBondContact O-CD1 3.44Å; L172-L176 HydrophobicContact CD1-CD1 4.18Å; L172-L176 HydrophobicContact CD1-CG 4.13Å; L172-L176 HydrophobicContact CG-CD1 3.86Å; L172-L176 HydrophobicContact CG-CG 4.31Å; L172-L176 WeakPolarHBondContact O-CB 3.27Å; L172-L176 VanDerWaalsContact O-CG 3.3Å; L172-L176 WeakPolarHBondContact O-CG 3.43Å; L172-L176 PolarHBondContact O-N 3.41Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-E179 PolarHBondContact O-N 3.27Å; L176-K180 WeakPolarHBondContact O-CB 3.35Å; L176-K180 WeakPolarHBondContact O-CG 3.36Å; L176-K180 PolarHBondContact O-N 3.43Å
177K77.6Confident76.2Confident97 Ų9795.9 Ų95.942%0.42244%0.439SS..Hα-helixtrans-64.9-38.5171.6-81.4177.5178.5-175.90111.7R173 R174 L175 R181R173-K177 HydrophobicContact CG-CD 4.41Å; R173-K177 WeakPolarHBondContact O-CB 3.49Å; R173-K177 VanDerWaalsContact O-CG 3.23Å; R173-K177 WeakPolarHBondContact O-CG 3.36Å; R173-K177 PolarHBondContact O-N 2.93Å; R174-K177 PolarHBondContact O-N 3.33Å; L175-K177 VanDerWaalsContact C-N 3.33Å; L175-K177 PolarHBondContact O-N 2.63Å; K177-R181 VanDerWaalsContact O-CG 3.31Å; K177-R181 WeakPolarHBondContact O-CG 3.46Å; K177-R181 PolarHBondContact O-N 3.27Å
178L76.7Confident76.1Confident92 Ų9299.4 Ų99.448%0.48244%0.443SS..Hα-helixtrans-66.4-45.6175.4-70167.3000110.9R174 L175 L176 K180 R181 I182R174-L178 WeakPolarHBondContact O-CG 3.2Å; R174-L178 PolarHBondContact O-N 2.96Å; R174-L178 VanDerWaalsContact O-N 3.08Å; L175-L178 WeakPolarHBondContact O-CB 3.47Å; L175-L178 PolarHBondContact O-N 3.06Å; L175-L178 VanDerWaalsContact O-N 3.1Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 3.31Å; L178-R181 WeakPolarHBondContact O-CB 3.31Å; L178-R181 PolarHBondContact O-N 2.87Å; L178-R181 VanDerWaalsContact O-N 3.1Å; L178-I182 WeakPolarHBondContact O-CG1 3.45Å; L178-I182 PolarHBondContact O-N 2.88Å
179E73.7Confident76.2Confident106 Ų106100.5 Ų100.550%0.49545%0.451SS..Hα-helixtrans-57.7-50.5174.2-171.7-170.3168.400111.3L175 L176 R181 I182 L183L175-E179 PolarHBondContact O-N 3.16Å; L176-E179 PolarHBondContact O-N 3.27Å; E179-R181 PolarHBondContact O-N 3.09Å; E179-I182 PolarHBondContact O-N 3.11Å; E179-L183 WeakPolarHBondContact O-CB 3.34Å; E179-L183 PolarHBondContact O-N 3.3Å
180K75Confident76.4Confident81 Ų8198.5 Ų98.535%0.35245%0.446SS..Hα-helixtrans-56.7-34.3175.8-77.9-171.1179.3-161.70112.1D73 L176 L178 K184D73-K180 IonicContact OD1-NZ 2.77Å; D73-K180 PolarHBondContact OD1-NZ 3.11Å; D73-K180 VanDerWaalsContact OD1-NZ 3.17Å; D73-K180 IonicContact OD2-NZ 3.79Å; D73-K180 PolarHBondContact OD2-NZ 3.13Å; L176-K180 WeakPolarHBondContact O-CB 3.35Å; L176-K180 WeakPolarHBondContact O-CG 3.36Å; L176-K180 PolarHBondContact O-N 3.43Å; L178-K180 PolarHBondContact O-N 3.31Å; K180-K184 WeakPolarHBondContact O-CB 3.47Å; K180-K184 VanDerWaalsContact O-CG 3.29Å; K180-K184 WeakPolarHBondContact O-CG 3.34Å; K180-K184 PolarHBondContact O-N 3.22Å
181R79.7Confident76.9Confident161 Ų16196.6 Ų96.661%0.60844%0.438SS*.Hα-helixtrans-70.7-52175.1-75.7173.6-178.3-178.2-0.5111.5K177 L178 E179 L183 K184 F185K177-R181 VanDerWaalsContact O-CG 3.31Å; K177-R181 WeakPolarHBondContact O-CG 3.46Å; K177-R181 PolarHBondContact O-N 3.27Å; L178-R181 WeakPolarHBondContact O-CB 3.31Å; L178-R181 PolarHBondContact O-N 2.87Å; L178-R181 VanDerWaalsContact O-N 3.1Å; E179-R181 PolarHBondContact O-N 3.09Å; R181-L183 PolarHBondContact O-N 3.48Å; R181-K184 WeakPolarHBondContact O-CB 3.5Å; R181-K184 PolarHBondContact O-N 3.07Å; R181-K184 VanDerWaalsContact O-N 3.08Å; R181-F185 WeakPolarHBondContact O-CD2 3.36Å; R181-F185 PolarHBondContact O-N 2.85Å
182I76.6Confident77.5Confident120 Ų12097.4 Ų97.462%0.61544%0.443SS*.Hα-helixtrans-54.4-45.1179.1-69.3166.6000110.4L178 E179 F185 S186L178-I182 WeakPolarHBondContact O-CG1 3.45Å; L178-I182 PolarHBondContact O-N 2.88Å; E179-I182 PolarHBondContact O-N 3.11Å; I182-F185 WeakPolarHBondContact O-CB 3.15Å; I182-F185 PolarHBondContact O-N 3.29Å; I182-S186 PolarHBondContact O-N 3.44Å
183L73.3Confident78.1Confident27 Ų2799.4 Ų99.414%0.14145%0.454CS..Hα-helixtrans-64-43.6177.5-171.370.6000113F82 L85 E179 R181 F185 S186 Q187F82-L183 HydrophobicContact CD2-CD1 3.35Å; F82-L183 HydrophobicContact CD2-CD2 3.33Å; F82-L183 HydrophobicContact CD2-CG 3.46Å; F82-L183 VanDerWaalsContact CD2-CG 3.46Å; F82-L183 HydrophobicContact CE2-CD1 3.6Å; F82-L183 HydrophobicContact CE2-CD2 3.07Å; F82-L183 HydrophobicContact CE2-CG 3.69Å; F82-L183 HydrophobicContact CZ-CD2 4.2Å; L85-L183 HydrophobicContact CD2-CD1 4.15Å; E179-L183 WeakPolarHBondContact O-CB 3.34Å; E179-L183 PolarHBondContact O-N 3.3Å; R181-L183 PolarHBondContact O-N 3.48Å; L183-F185 VanDerWaalsContact C-N 3.3Å; L183-F185 PolarHBondContact O-N 3.38Å; L183-S186 WeakPolarHBondContact CA-OG 3.22Å; L183-S186 PolarHBondContact O-N 3.08Å; L183-S186 PolarHBondContact O-OG 3.47Å; L183-Q187 VanDerWaalsContact O-CG 3.27Å; L183-Q187 WeakPolarHBondContact O-CG 3.4Å; L183-Q187 PolarHBondContact O-N 3.5Å
184K76.4Confident78.6Confident136 Ų13697.1 Ų97.159%0.59145%0.45SS*.Hα-helixtrans-60.8-40.6172.5-82.1-177178.7-167.70111.4K180 R181 Q187K180-K184 WeakPolarHBondContact O-CB 3.47Å; K180-K184 VanDerWaalsContact O-CG 3.29Å; K180-K184 WeakPolarHBondContact O-CG 3.34Å; K180-K184 PolarHBondContact O-N 3.22Å; R181-K184 WeakPolarHBondContact O-CB 3.5Å; R181-K184 PolarHBondContact O-N 3.07Å; R181-K184 VanDerWaalsContact O-N 3.08Å; K184-Q187 WeakPolarHBondContact O-CB 3.43Å; K184-Q187 PolarHBondContact O-N 2.84Å
185F79.7Confident79.3Confident139 Ų13993.6 Ų93.661%0.6144%0.444SS*.Hα-helixtrans-63.1-44.9173.9-84.3-75.9000111.7R181 I182 L183 Q187 W188 I189R181-F185 WeakPolarHBondContact O-CD2 3.36Å; R181-F185 PolarHBondContact O-N 2.85Å; I182-F185 WeakPolarHBondContact O-CB 3.15Å; I182-F185 PolarHBondContact O-N 3.29Å; L183-F185 VanDerWaalsContact C-N 3.3Å; L183-F185 PolarHBondContact O-N 3.38Å; F185-Q187 PolarHBondContact O-N 3.48Å; F185-W188 PolarHBondContact O-N 2.91Å; F185-I189 HydrophobicContact CB-CD1 4.28Å; F185-I189 WeakPolarHBondContact O-CG1 3.48Å; F185-I189 PolarHBondContact O-N 2.97Å
186S73.3Confident80.2Confident31 Ų3195 Ų9522%0.21745%0.446CS..Hα-helixtrans-63.8-29.4179.271.60000112.8I182 L183 W188 I189 L190I182-S186 PolarHBondContact O-N 3.44Å; L183-S186 WeakPolarHBondContact CA-OG 3.22Å; L183-S186 PolarHBondContact O-N 3.08Å; L183-S186 PolarHBondContact O-OG 3.47Å; S186-W188 PolarHBondContact O-N 3.49Å; S186-I189 PolarHBondContact O-N 2.98Å; S186-L190 WeakPolarHBondContact O-CB 3.42Å; S186-L190 PolarHBondContact O-N 3.49Å; S186-L190 VanDerWaalsContact O-N 3.08Å
187Q75.4Confident81Confident45 Ų4597 Ų9721%0.2146%0.456CS..Hα-helixtrans-61.3-28.3174.3-73.5174.9-43.300113.1S79 F82 L183 K184 F185 P191S79-Q187 WeakPolarHBondContact OG-CG 3.21Å; S79-Q187 PolarHBondContact OG-NE2 2.95Å; F82-Q187 HydrophobicContact CB-CG 4.43Å; L183-Q187 VanDerWaalsContact O-CG 3.27Å; L183-Q187 WeakPolarHBondContact O-CG 3.4Å; L183-Q187 PolarHBondContact O-N 3.5Å; K184-Q187 WeakPolarHBondContact O-CB 3.43Å; K184-Q187 PolarHBondContact O-N 2.84Å; F185-Q187 PolarHBondContact O-N 3.48Å; Q187-P191 WeakPolarHBondContact O-CD 3.39Å; Q187-P191 WeakPolarHBondContact O-CG 3.07Å
188W80.7Confident81.7Confident192 Ų19297.1 Ų97.173%0.72746%0.46SS*.Hα-helixtrans-94.2-39.7175.9-61.2104.5000112.1F185 S186 L190 P191 M192F185-W188 PolarHBondContact O-N 2.91Å; S186-W188 PolarHBondContact O-N 3.49Å; W188-L190 PolarHBondContact O-N 3.31Å; W188-P191 WeakPolarHBondContact O-CD 3.33Å; W188-M192 WeakPolarHBondContact O-CB 3.29Å; W188-M192 WeakPolarHBondContact O-CG 3.19Å; W188-M192 PolarHBondContact O-N 2.98Å; W188-M192 VanDerWaalsContact O-N 3.11Å
189I83.5Confident82.5Confident104 Ų10495.2 Ų95.253%0.53346%0.457SS..Hα-helixtrans-63.9-43.1-177.4-67.3166.1000111.4F185 S186 M192 L193F185-I189 HydrophobicContact CB-CD1 4.28Å; F185-I189 WeakPolarHBondContact O-CG1 3.48Å; F185-I189 PolarHBondContact O-N 2.97Å; S186-I189 PolarHBondContact O-N 2.98Å; I189-M192 PolarHBondContact O-N 3.29Å; I189-L193 WeakPolarHBondContact O-CB 3.35Å; I189-L193 PolarHBondContact O-N 3.2Å
190L79.1Confident83.4Confident57 Ų5796.3 Ų96.330%0.29846%0.458SS..Hα-helixtrans-65.6-48.5-176.3-175.671.5000112.5L84 S186 W188 M192 L193 I194L84-L190 HydrophobicContact CD2-CD2 4.4Å; S186-L190 WeakPolarHBondContact O-CB 3.42Å; S186-L190 PolarHBondContact O-N 3.49Å; S186-L190 VanDerWaalsContact O-N 3.08Å; W188-L190 PolarHBondContact O-N 3.31Å; L190-M192 VanDerWaalsContact C-N 3.33Å; L190-M192 PolarHBondContact O-N 2.91Å; L190-L193 PolarHBondContact O-N 2.65Å; L190-I194 HydrophobicContact CG-CD1 4.16Å; L190-I194 VanDerWaalsContact O-CG1 3.29Å; L190-I194 WeakPolarHBondContact O-CG1 3.39Å; L190-I194 PolarHBondContact O-N 2.8Å
191P82.2Confident84.1Confident35 Ų3598.4 Ų98.423%0.22747%0.471CS..Hα-helixtrans-59.3-40.6171.3-25.134.8000113.3W80 Q187 W188 L193 I194 L195W80-P191 HydrophobicContact CZ2-CG 4.12Å; Q187-P191 WeakPolarHBondContact O-CD 3.39Å; Q187-P191 WeakPolarHBondContact O-CG 3.07Å; W188-P191 WeakPolarHBondContact O-CD 3.33Å; P191-L193 PolarHBondContact O-N 2.77Å; P191-I194 PolarHBondContact O-N 2.87Å; P191-L195 WeakPolarHBondContact O-CB 3.36Å; P191-L195 VanDerWaalsContact O-CG 3.3Å; P191-L195 WeakPolarHBondContact O-CG 3.26Å; P191-L195 PolarHBondContact O-N 3.4Å
192M87.7Confident84.6Confident124 Ų12497.2 Ų97.261%0.61147%0.47SS*.Hα-helixtrans-64.2-39.5177.6-72.4-65.3-69.100112.2W188 I189 L190 L195 F196W188-M192 WeakPolarHBondContact O-CB 3.29Å; W188-M192 WeakPolarHBondContact O-CG 3.19Å; W188-M192 PolarHBondContact O-N 2.98Å; W188-M192 VanDerWaalsContact O-N 3.11Å; I189-M192 PolarHBondContact O-N 3.29Å; L190-M192 VanDerWaalsContact C-N 3.33Å; L190-M192 PolarHBondContact O-N 2.91Å; M192-L195 PolarHBondContact O-N 3.44Å; M192-F196 VanDerWaalsContact O-CB 3.31Å; M192-F196 WeakPolarHBondContact O-CB 3.29Å; M192-F196 PolarHBondContact O-N 2.95Å
193L87.4Confident85.2Confident92 Ų9295.1 Ų95.148%0.48247%0.465SS..Hα-helixtrans-64.7-43.4174.9-169.895.7000111I189 L190 P191 F196 I197I189-L193 WeakPolarHBondContact O-CB 3.35Å; I189-L193 PolarHBondContact O-N 3.2Å; L190-L193 PolarHBondContact O-N 2.65Å; P191-L193 PolarHBondContact O-N 2.77Å; L193-F196 PolarHBondContact O-N 3.27Å; L193-I197 HydrophobicContact CD2-CD1 4.1Å; L193-I197 HydrophobicContact CG-CD1 4.11Å; L193-I197 VanDerWaalsContact O-CG1 3.26Å; L193-I197 WeakPolarHBondContact O-CG1 3.31Å; L193-I197 PolarHBondContact O-N 3.31Å
194I87.3Confident85.7Confident67 Ų67100.2 Ų100.234%0.34449%0.486SS..Hα-helixtrans-61.5-47.1176.2-68.3165000110.3W80 L190 P191 F196 I197 I198W80-I194 HydrophobicContact CH2-CD1 3.88Å; L190-I194 HydrophobicContact CG-CD1 4.16Å; L190-I194 VanDerWaalsContact O-CG1 3.29Å; L190-I194 WeakPolarHBondContact O-CG1 3.39Å; L190-I194 PolarHBondContact O-N 2.8Å; P191-I194 PolarHBondContact O-N 2.87Å; I194-F196 VanDerWaalsContact C-N 3.33Å; I194-F196 PolarHBondContact O-N 3.3Å; I194-I197 PolarHBondContact O-N 3.44Å; I194-I198 HydrophobicContact CG2-CD1 3.8Å; I194-I198 HydrophobicContact CG2-CG1 4.49Å; I194-I198 VanDerWaalsContact O-CG1 3.29Å; I194-I198 WeakPolarHBondContact O-CG1 3.3Å; I194-I198 PolarHBondContact O-N 2.91Å
195L90.7Very high86Confident107 Ų107102.5 Ų102.556%0.5650%0.497SS*.Hα-helixtrans-61.1-41176.5-72.6171.1000111.9P191 M192 I198 A199P191-L195 WeakPolarHBondContact O-CB 3.36Å; P191-L195 VanDerWaalsContact O-CG 3.3Å; P191-L195 WeakPolarHBondContact O-CG 3.26Å; P191-L195 PolarHBondContact O-N 3.4Å; M192-L195 PolarHBondContact O-N 3.44Å; L195-I198 PolarHBondContact O-N 2.88Å; L195-A199 WeakPolarHBondContact O-CB 3.46Å; L195-A199 PolarHBondContact O-N 2.9Å
196F93.5Very high85.8Confident144 Ų144101.9 Ų101.963%0.63250%0.499SS*.Hα-helixtrans-62.8-43.7175.6179.1-97.5000112.2M192 L193 I194 A199 Y200M192-F196 VanDerWaalsContact O-CB 3.31Å; M192-F196 WeakPolarHBondContact O-CB 3.29Å; M192-F196 PolarHBondContact O-N 2.95Å; L193-F196 PolarHBondContact O-N 3.27Å; I194-F196 VanDerWaalsContact C-N 3.33Å; I194-F196 PolarHBondContact O-N 3.3Å; F196-A199 PolarHBondContact O-N 3.48Å; F196-Y200 WeakPolarHBondContact O-CB 3.37Å; F196-Y200 PolarHBondContact O-N 3.35Å
197I91.9Very high85.4Confident80 Ų80110.3 Ų110.341%0.4154%0.54SS..Hα-helixtrans-63.2-44.3176.4-68.6165.2000110.9L193 I194 Y200 M201L193-I197 HydrophobicContact CD2-CD1 4.1Å; L193-I197 HydrophobicContact CG-CD1 4.11Å; L193-I197 VanDerWaalsContact O-CG1 3.26Å; L193-I197 WeakPolarHBondContact O-CG1 3.31Å; L193-I197 PolarHBondContact O-N 3.31Å; I194-I197 PolarHBondContact O-N 3.44Å; I197-Y200 PolarHBondContact O-N 2.96Å; I197-M201 HydrophobicContact CG2-SD 4.27Å; I197-M201 WeakPolarHBondContact O-CG 3.34Å; I197-M201 PolarHBondContact O-N 3.36Å
198I92.3Very high85.9Confident99 Ų99113.6 Ų113.651%0.50856%0.557SS.*Hα-helixtrans-61.1-47.2176.9-68.1167000110.6I194 L195 Y200 M201 F202I194-I198 HydrophobicContact CG2-CD1 3.8Å; I194-I198 HydrophobicContact CG2-CG1 4.49Å; I194-I198 VanDerWaalsContact O-CG1 3.29Å; I194-I198 WeakPolarHBondContact O-CG1 3.3Å; I194-I198 PolarHBondContact O-N 2.91Å; L195-I198 PolarHBondContact O-N 2.88Å; I198-Y200 PolarHBondContact O-N 3.3Å; I198-M201 PolarHBondContact O-N 2.89Å; I198-F202 WeakPolarHBondContact O-CB 3.47Å; I198-F202 PolarHBondContact O-N 2.93Å
199A93Very high86.2Confident52 Ų52109.4 Ų109.443%0.4355%0.548SS..Hα-helixtrans-61.6-43.3177.900000111.9L195 F196 F202 C203L195-A199 WeakPolarHBondContact O-CB 3.46Å; L195-A199 PolarHBondContact O-N 2.9Å; F196-A199 PolarHBondContact O-N 3.48Å; A199-F202 PolarHBondContact O-N 3.4Å; A199-C203 PolarHBondContact O-N 3.26Å; A199-C203 PolarHBondContact O-SG 2.96Å; A199-C203 VanDerWaalsContact O-SG 3.35Å
200Y92.5Very high86.3Confident129 Ų129109.7 Ų109.751%0.50655%0.549SS..Hα-helixtrans-62.7-42.3176.6177.3-104000112.5F196 I197 I198 K204F196-Y200 WeakPolarHBondContact O-CB 3.37Å; F196-Y200 PolarHBondContact O-N 3.35Å; I197-Y200 PolarHBondContact O-N 2.96Å; I198-Y200 PolarHBondContact O-N 3.3Å; Y200-K204 HydrophobicContact CE1-CD 4.03Å; Y200-K204 PolarHBondContact O-N 3.1Å; Y200-K204 VanDerWaalsContact O-N 3.08Å; Y200-K204 WeakPolarHBondContact OH-CE 3.15Å; Y200-K204 PolarHBondContact OH-NZ 3.32Å
201M90.4Very high86.7Confident126 Ų126112.8 Ų112.862%0.62156%0.563SS**Hα-helixtrans-63.4-41.3174.9-75.1-177.658.800112.2I197 I198 K204 F205I197-M201 HydrophobicContact CG2-SD 4.27Å; I197-M201 WeakPolarHBondContact O-CG 3.34Å; I197-M201 PolarHBondContact O-N 3.36Å; I198-M201 PolarHBondContact O-N 2.89Å; M201-K204 PolarHBondContact O-N 3.17Å; M201-F205 PolarHBondContact O-N 3.08Å; M201-F205 VanDerWaalsContact O-N 3.1Å
202F90.1Very high87Confident135 Ų135117.7 Ų117.759%0.59258%0.584SS**Hα-helixtrans-65.8-43.5178.7-164.5-104.4000111.9I198 A199 K204 F205 L206I198-F202 WeakPolarHBondContact O-CB 3.47Å; I198-F202 PolarHBondContact O-N 2.93Å; A199-F202 PolarHBondContact O-N 3.4Å; F202-K204 VanDerWaalsContact C-N 3.3Å; F202-K204 PolarHBondContact O-N 3.32Å; F202-F205 PolarHBondContact O-N 3.4Å; F202-F205 VanDerWaalsContact O-N 3.17Å; F202-L206 HydrophobicContact CD1-CD1 3.56Å; F202-L206 HydrophobicContact CD1-CG 4.48Å; F202-L206 HydrophobicContact CE1-CD1 3.22Å; F202-L206 HydrophobicContact CE1-CG 4.27Å; F202-L206 HydrophobicContact CG-CD1 4.41Å; F202-L206 HydrophobicContact CZ-CD1 3.83Å; F202-L206 PolarHBondContact O-N 3.17Å; F202-L206 VanDerWaalsContact O-N 3.17Å
203C89.3Confident87Confident77 Ų77117.3 Ų117.352%0.5258%0.582SS.*Hα-helixtrans-61.9-36.8174.3-69.80000112.6A199 F205A199-C203 PolarHBondContact O-N 3.26Å; A199-C203 PolarHBondContact O-SG 2.96Å; A199-C203 VanDerWaalsContact O-SG 3.35Å; C203-F205 VanDerWaalsContact C-N 3.33Å
204K83.6Confident87Confident134 Ų134119.1 Ų119.158%0.58359%0.59SS**Hα-helixtrans-71.7-22.9175.5-93.5-164.4168.6-171.10114.5Y200 M201 F202Y200-K204 HydrophobicContact CE1-CD 4.03Å; Y200-K204 PolarHBondContact O-N 3.1Å; Y200-K204 VanDerWaalsContact O-N 3.08Å; Y200-K204 WeakPolarHBondContact OH-CE 3.15Å; Y200-K204 PolarHBondContact OH-NZ 3.32Å; M201-K204 PolarHBondContact O-N 3.17Å; F202-K204 VanDerWaalsContact C-N 3.3Å; F202-K204 PolarHBondContact O-N 3.32Å
205F82.2Confident86.9Confident184 Ų184123.1 Ų123.181%0.80761%0.609SS**Hα-helixtrans-88.8-20.2179.6-159.3-91.4000112.5M201 F202 C203M201-F205 PolarHBondContact O-N 3.08Å; M201-F205 VanDerWaalsContact O-N 3.1Å; F202-F205 PolarHBondContact O-N 3.4Å; F202-F205 VanDerWaalsContact O-N 3.17Å; C203-F205 VanDerWaalsContact C-N 3.33Å
206L75.5Confident86.6Confident125 Ų125124.4 Ų124.465%0.65461%0.613SS**  trans-92-7.8177.9-75.2173.3000114.4F202F202-L206 HydrophobicContact CD1-CD1 3.56Å; F202-L206 HydrophobicContact CD1-CG 4.48Å; F202-L206 HydrophobicContact CE1-CD1 3.22Å; F202-L206 HydrophobicContact CE1-CG 4.27Å; F202-L206 HydrophobicContact CG-CD1 4.41Å; F202-L206 HydrophobicContact CZ-CD1 3.83Å; F202-L206 PolarHBondContact O-N 3.17Å; F202-L206 VanDerWaalsContact O-N 3.17Å
207L65.4Low86Confident208 Ų208122.6 Ų122.6100%1.08961%0.611SS**  trans-104.30173.7-81.7160.1000109.8

Retrieved 207 of 207 residues in 170.2 ms (Link to these results)

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