A0A5K4EZI6_SCHMA Loading...

RWD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZI6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 239 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
1M60.2Low85Confident93 Ų9368.5 Ų68.546%0.45838%0.383SS..  0131.10-161.8170.7-90.500107.9D5 P61 F97 V98M1-D5 HydrophobicContact CG-CB 3.53Å; M1-D5 WeakPolarHBondContact CG-OD2 3.47Å; M1-D5 HydrophobicContact SD-CB 4.02Å; M1-P61 HydrophobicContact CB-CG 3.94Å; M1-P61 HydrophobicContact CG-CG 4.02Å; M1-P61 HydrophobicContact SD-CB 4.47Å; M1-P61 HydrophobicContact SD-CG 3.48Å; M1-P61 WeakPolarHBondContact SD-CG 3.49Å; M1-F97 HydrophobicContact CE-CB 3.83Å; M1-F97 HydrophobicContact CE-CD1 3.27Å; M1-F97 HydrophobicContact CE-CE1 4.12Å; M1-F97 HydrophobicContact CE-CG 3.88Å; M1-V98 HydrophobicContact SD-CB 4.4Å; M1-V98 HydrophobicContact SD-CG1 3.86Å; M1-V98 HydrophobicContact SD-CG2 4.31Å; M1-V98 PolarHBondContact SD-N 2.86Å; M1-V98 VanDerWaalsContact SD-N 3.36Å
2S72.7Confident85.9Confident67 Ų6766.7 Ų66.747%0.46938%0.382SS..  trans-82.3157.4-171.9-720000110.8E4 D5S2-E4 PolarHBondContact O-N 3.34Å; S2-E4 VanDerWaalsContact O-N 3.15Å; S2-D5 PolarHBondContact N-OD2 2.86Å; S2-D5 WeakPolarHBondContact O-CB 3.18Å; S2-D5 PolarHBondContact O-N 2.94Å
3A81.7Confident86.5Confident86 Ų8661.7 Ų61.771%0.71135%0.354SS*.Hα-helixtrans-57.6-25.9172.100000112.4C6 E7A3-C6 PolarHBondContact O-N 2.91Å; A3-E7 PolarHBondContact O-N 3.15Å; A3-E7 VanDerWaalsContact O-N 3.16Å
4E87Confident87Confident141 Ų14164.9 Ų64.966%0.65936%0.364SS*.Hα-helixtrans-61-40.4173-62.3176.4164.900112.3S2 C6 E7 N8S2-E4 PolarHBondContact O-N 3.34Å; S2-E4 VanDerWaalsContact O-N 3.15Å; E4-C6 VanDerWaalsContact C-N 3.3Å; E4-C6 PolarHBondContact O-N 2.75Å; E4-E7 PolarHBondContact O-N 2.88Å; E4-N8 WeakPolarHBondContact O-CB 3.35Å; E4-N8 PolarHBondContact O-N 3.33Å; E4-N8 PolarHBondContact O-ND2 3.03Å
5D88.9Confident87.5Confident62 Ų6266.3 Ų66.333%0.33238%0.38SS..Hα-helixtrans-65.3-37.2179.4-60.2-44.3000111.2M1 S2 N8 E9M1-D5 HydrophobicContact CG-CB 3.53Å; M1-D5 WeakPolarHBondContact CG-OD2 3.47Å; M1-D5 HydrophobicContact SD-CB 4.02Å; S2-D5 PolarHBondContact N-OD2 2.86Å; S2-D5 WeakPolarHBondContact O-CB 3.18Å; S2-D5 PolarHBondContact O-N 2.94Å; D5-N8 PolarHBondContact O-N 3.35Å; D5-E9 PolarHBondContact O-N 3.37Å
6C86Confident87.9Confident15 Ų1567.9 Ų67.910%0.10139%0.385CS..Hα-helixtrans-66.7-41.5174.8-61.20000112A3 E4 N8 E9 L10 Y60 P61A3-C6 PolarHBondContact O-N 2.91Å; E4-C6 VanDerWaalsContact C-N 3.3Å; E4-C6 PolarHBondContact O-N 2.75Å; C6-N8 VanDerWaalsContact C-N 3.34Å; C6-E9 PolarHBondContact O-N 3.06Å; C6-L10 WeakPolarHBondContact O-CG 3.44Å; C6-L10 PolarHBondContact O-N 3.4Å; C6-L10 VanDerWaalsContact O-N 3.12Å; C6-Y60 HydrophobicContact CB-CD1 4.26Å; C6-Y60 VanDerWaalsContact SG-CD1 3.57Å; C6-Y60 PolarHBondContact SG-O 3.01Å; C6-P61 VanDerWaalsContact SG-CD 3.51Å
7E89.8Confident88.1Confident74 Ų7465.5 Ų65.535%0.34637%0.369SS..Hα-helixtrans-65-41.9177.1-165.166.6-147.700111A3 E4 E9 L10 L11 R30A3-E7 PolarHBondContact O-N 3.15Å; A3-E7 VanDerWaalsContact O-N 3.16Å; E4-E7 PolarHBondContact O-N 2.88Å; E7-E9 VanDerWaalsContact C-N 3.34Å; E7-E9 PolarHBondContact O-N 3.48Å; E7-L10 PolarHBondContact O-N 3.41Å; E7-L10 VanDerWaalsContact O-N 3.17Å; E7-L11 HydrophobicContact CG-CD1 4.49Å; E7-L11 WeakPolarHBondContact O-CG 3.38Å; E7-L11 PolarHBondContact O-N 3.13Å; E7-R30 IonicContact OE2-CZ 3.24Å; E7-R30 VanDerWaalsContact OE2-CZ 3.24Å; E7-R30 IonicContact OE2-NH1 2.68Å; E7-R30 PolarHBondContact OE2-NH1 2.89Å; E7-R30 IonicContact OE2-NH2 2.85Å; E7-R30 PolarHBondContact OE2-NH2 3.04Å
8N92.5Very high88.3Confident97 Ų9769.9 Ų69.952%0.51939%0.386SS..Hα-helixtrans-61-40.9176.2-68.3-22.7000112.2E4 D5 C6 A12E4-N8 WeakPolarHBondContact O-CB 3.35Å; E4-N8 PolarHBondContact O-N 3.33Å; E4-N8 PolarHBondContact O-ND2 3.03Å; D5-N8 PolarHBondContact O-N 3.35Å; C6-N8 VanDerWaalsContact C-N 3.34Å; N8-A12 WeakPolarHBondContact O-CB 3.45Å; N8-A12 PolarHBondContact O-N 3.33Å
9E93.3Very high88.4Confident16 Ų1673.1 Ų73.18%0.07540%0.402CS..Hα-helixtrans-61.3-44.3173.8-179.8-172-146.500111.5D5 C6 E7 A12 L13 Y60 V98 M99 L100D5-E9 PolarHBondContact O-N 3.37Å; C6-E9 PolarHBondContact O-N 3.06Å; E7-E9 VanDerWaalsContact C-N 3.34Å; E7-E9 PolarHBondContact O-N 3.48Å; E9-A12 WeakPolarHBondContact O-CB 3.45Å; E9-A12 PolarHBondContact O-N 3.31Å; E9-L13 HydrophobicContact CG-CD1 4.14Å; E9-L13 HydrophobicContact CG-CG 4.44Å; E9-L13 VanDerWaalsContact O-CG 3.31Å; E9-L13 WeakPolarHBondContact O-CG 2.98Å; E9-L13 PolarHBondContact O-N 3.43Å; E9-Y60 PolarHBondContact OE1-OH 3.16Å; E9-Y60 VanDerWaalsContact OE2-CE1 3.28Å; E9-Y60 WeakPolarHBondContact OE2-CE1 3.49Å; E9-Y60 PolarHBondContact OE2-OH 3.22Å; E9-V98 HydrophobicContact CB-CB 4.14Å; E9-V98 HydrophobicContact CB-CG1 3.84Å; E9-V98 VanDerWaalsContact CD-CB 3.4Å; E9-V98 HydrophobicContact CG-CB 4.12Å; E9-V98 HydrophobicContact CG-CG1 4.31Å; E9-V98 WeakPolarHBondContact OE1-CB 3.34Å; E9-V98 WeakPolarHBondContact OE2-CB 3.43Å; E9-V98 WeakPolarHBondContact OE2-CG1 3.44Å; E9-M99 PolarHBondContact OE1-N 3.49Å; E9-L100 WeakPolarHBondContact OE1-CA 3.41Å; E9-L100 VanDerWaalsContact OE1-CB 3.3Å; E9-L100 WeakPolarHBondContact OE1-CB 3.47Å; E9-L100 PolarHBondContact OE1-N 2.97Å
10L90.8Very high88.6Confident12 Ų1272.4 Ų72.46%0.06340%0.395CS..Hα-helixtrans-65.1-41.7-179.2-65.5-171.1000112.5C6 E7 A12 L13 E14 I32 L56 L100C6-L10 WeakPolarHBondContact O-CG 3.44Å; C6-L10 PolarHBondContact O-N 3.4Å; C6-L10 VanDerWaalsContact O-N 3.12Å; E7-L10 PolarHBondContact O-N 3.41Å; E7-L10 VanDerWaalsContact O-N 3.17Å; L10-A12 VanDerWaalsContact C-N 3.32Å; L10-L13 HydrophobicContact CD2-CD1 4.49Å; L10-L13 PolarHBondContact O-N 2.83Å; L10-E14 WeakPolarHBondContact O-CB 3.47Å; L10-E14 PolarHBondContact O-N 3.07Å; L10-I32 HydrophobicContact CD1-CD1 4.11Å; L10-I32 HydrophobicContact CD2-CD1 3.23Å; L10-I32 HydrophobicContact CG-CD1 4.29Å; L10-L56 HydrophobicContact CD1-CD1 4.24Å; L10-L56 HydrophobicContact CD2-CD1 4.14Å; L10-L100 HydrophobicContact CD2-CD1 3.76Å
11L92.6Very high88.7Confident91 Ų9170.1 Ų70.148%0.47638%0.381SS..Hα-helixtrans-63.3-39.8174.5-68.9172.6000111.5E7 E14 S15E7-L11 HydrophobicContact CG-CD1 4.49Å; E7-L11 WeakPolarHBondContact O-CG 3.38Å; E7-L11 PolarHBondContact O-N 3.13Å; L11-E14 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-N 3.31Å
12A94.8Very high90.2Very high46 Ų4669.9 Ų69.938%0.3838%0.379SS..Hα-helixtrans-62.9-44174.900000111.3N8 E9 L10 S15 I16N8-A12 WeakPolarHBondContact O-CB 3.45Å; N8-A12 PolarHBondContact O-N 3.33Å; E9-A12 WeakPolarHBondContact O-CB 3.45Å; E9-A12 PolarHBondContact O-N 3.31Å; L10-A12 VanDerWaalsContact C-N 3.32Å; A12-S15 PolarHBondContact O-N 2.98Å; A12-I16 WeakPolarHBondContact O-CB 3.24Å; A12-I16 WeakPolarHBondContact O-CD1 3.4Å; A12-I16 WeakPolarHBondContact O-CG1 3.47Å; A12-I16 PolarHBondContact O-N 3.49Å
13L94.3Very high91Very high2 Ų270.8 Ų70.81%0.0138%0.378CS..Hα-helixtrans-66.2-39.4177.5-70.1176000112.9E9 L10 S15 I16 Y17 Y21 L100 F101 L104E9-L13 HydrophobicContact CG-CD1 4.14Å; E9-L13 HydrophobicContact CG-CG 4.44Å; E9-L13 VanDerWaalsContact O-CG 3.31Å; E9-L13 WeakPolarHBondContact O-CG 2.98Å; E9-L13 PolarHBondContact O-N 3.43Å; L10-L13 HydrophobicContact CD2-CD1 4.49Å; L10-L13 PolarHBondContact O-N 2.83Å; L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 3.34Å; L13-I16 PolarHBondContact O-N 3.26Å; L13-Y17 HydrophobicContact CD2-CD2 4.03Å; L13-Y17 HydrophobicContact CD2-CE2 3.68Å; L13-Y17 WeakPolarHBondContact O-CB 3.34Å; L13-Y17 WeakPolarHBondContact O-CD2 3.38Å; L13-Y17 PolarHBondContact O-N 2.8Å; L13-Y21 HydrophobicContact CB-CD2 4.2Å; L13-Y21 HydrophobicContact CB-CE2 3.97Å; L13-L100 HydrophobicContact CD1-CB 3.55Å; L13-L100 HydrophobicContact CD1-CD1 3.84Å; L13-L100 HydrophobicContact CD1-CG 4.38Å; L13-F101 HydrophobicContact CD2-CB 4.06Å; L13-F101 HydrophobicContact CD2-CD2 4.06Å; L13-L104 HydrophobicContact CD1-CD1 4.38Å; L13-L104 HydrophobicContact CD2-CD1 3.68Å
14E93.1Very high91.3Very high107 Ų10770.3 Ų70.350%0.537%0.366SS..Hα-helixtrans-60.1-40.5173.5-174.6173.1-159.400110.9L10 L11 E18 Y21L10-E14 WeakPolarHBondContact O-CB 3.47Å; L10-E14 PolarHBondContact O-N 3.07Å; L11-E14 PolarHBondContact O-N 3.46Å; E14-E18 WeakPolarHBondContact O-CA 3.24Å; E14-E18 PolarHBondContact O-N 3.4Å; E14-Y21 HydrophobicContact CB-CD1 4.1Å; E14-Y21 HydrophobicContact CB-CE1 4.13Å; E14-Y21 HydrophobicContact CB-CG 4.45Å; E14-Y21 HydrophobicContact CG-CD1 4.08Å; E14-Y21 HydrophobicContact CG-CE1 4.3Å
15S94.7Very high91.2Very high85 Ų8567 Ų6759%0.59435%0.351SS*.Hα-helixtrans-73.7-32.8177.1-173.90000114.4L11 A12 L13 E18L11-S15 PolarHBondContact O-N 3.31Å; A12-S15 PolarHBondContact O-N 2.98Å; L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 3.34Å; S15-E18 WeakPolarHBondContact O-CG 3.47Å
16I94.5Very high90.8Very high92 Ų9267.6 Ų67.647%0.47236%0.357SS..Hα-helixtrans-77.7-41.3-178.1-69.7162.2000110.9A12 L13 F101A12-I16 WeakPolarHBondContact O-CB 3.24Å; A12-I16 WeakPolarHBondContact O-CD1 3.4Å; A12-I16 WeakPolarHBondContact O-CG1 3.47Å; A12-I16 PolarHBondContact O-N 3.49Å; L13-I16 PolarHBondContact O-N 3.26Å; I16-F101 HydrophobicContact CD1-CD2 3.96Å; I16-F101 HydrophobicContact CD1-CE2 3.81Å
17Y91.3Very high90.2Very high28 Ų2872.1 Ų72.111%0.1138%0.384CS..Hα-helixtrans-97.5-12.9-173.2-70-78.5000113.3L13 D19 K20 V34 L36 L104L13-Y17 HydrophobicContact CD2-CD2 4.03Å; L13-Y17 HydrophobicContact CD2-CE2 3.68Å; L13-Y17 WeakPolarHBondContact O-CB 3.34Å; L13-Y17 WeakPolarHBondContact O-CD2 3.38Å; L13-Y17 PolarHBondContact O-N 2.8Å; Y17-D19 PolarHBondContact O-N 3.18Å; Y17-K20 HydrophobicContact CD1-CB 4.5Å; Y17-K20 WeakPolarHBondContact O-CA 3.5Å; Y17-K20 VanDerWaalsContact O-CB 3.28Å; Y17-K20 WeakPolarHBondContact O-CB 3.15Å; Y17-K20 PolarHBondContact O-N 3.46Å; Y17-V34 HydrophobicContact CD1-CG1 3.78Å; Y17-V34 HydrophobicContact CD2-CG1 4.31Å; Y17-V34 HydrophobicContact CE1-CG1 4.14Å; Y17-V34 HydrophobicContact CG-CG1 3.88Å; Y17-L36 HydrophobicContact CD1-CD2 4.37Å; Y17-L36 HydrophobicContact CE1-CD2 3.71Å; Y17-L104 HydrophobicContact CD2-CD1 4.2Å; Y17-L104 HydrophobicContact CE2-CB 4.37Å; Y17-L104 HydrophobicContact CE2-CD1 3.52Å; Y17-L104 VanDerWaalsContact OH-CB 3.25Å; Y17-L104 WeakPolarHBondContact OH-CB 3.47Å
18E91.7Very high89.5Confident145 Ų14574.3 Ų74.368%0.67840%0.404SS*.G310 helixtrans40.2-104.8174.9-59.1-175.5178.700112.9E14 S15 K20 Y21E14-E18 WeakPolarHBondContact O-CA 3.24Å; E14-E18 PolarHBondContact O-N 3.4Å; S15-E18 WeakPolarHBondContact O-CG 3.47Å; E18-K20 VanDerWaalsContact C-N 3.26Å; E18-K20 PolarHBondContact O-N 2.88Å; E18-Y21 PolarHBondContact O-N 3.49Å
19D90.5Very high88.8Confident129 Ų12975.8 Ų75.869%0.6940%0.403SS*.G310 helixtrans-65.4-23.5-17970.2-39.6000114.5Y17Y17-D19 PolarHBondContact O-N 3.18Å
20K90.7Very high88.3Confident60 Ų6078.9 Ų78.926%0.26141%0.414SS..G310 helixtrans-85.1-12.8178.6-64.2168.2-167.6171.30113Y17 E18 V34 N35Y17-K20 HydrophobicContact CD1-CB 4.5Å; Y17-K20 WeakPolarHBondContact O-CA 3.5Å; Y17-K20 VanDerWaalsContact O-CB 3.28Å; Y17-K20 WeakPolarHBondContact O-CB 3.15Å; Y17-K20 PolarHBondContact O-N 3.46Å; E18-K20 VanDerWaalsContact C-N 3.26Å; E18-K20 PolarHBondContact O-N 2.88Å; K20-V34 CarbonylContact O-C 3.6Å; K20-V34 WeakPolarHBondContact O-CA 3.24Å; K20-N35 HydrophobicContact CB-CB 4.07Å; K20-N35 WeakPolarHBondContact CB-O 3.44Å; K20-N35 WeakPolarHBondContact CD-O 3.4Å; K20-N35 HydrophobicContact CG-CB 4.31Å; K20-N35 PolarHBondContact O-N 3.06Å
21Y92.4Very high88.4Confident24 Ų2480.8 Ų80.89%0.09442%0.422CS..EExtended strand (participates in β ladder)trans-93.8133.9179.4-176.1-87.2000111.7L13 E14 E18 L23 I32 V34L13-Y21 HydrophobicContact CB-CD2 4.2Å; L13-Y21 HydrophobicContact CB-CE2 3.97Å; E14-Y21 HydrophobicContact CB-CD1 4.1Å; E14-Y21 HydrophobicContact CB-CE1 4.13Å; E14-Y21 HydrophobicContact CB-CG 4.45Å; E14-Y21 HydrophobicContact CG-CD1 4.08Å; E14-Y21 HydrophobicContact CG-CE1 4.3Å; E18-Y21 PolarHBondContact O-N 3.49Å; Y21-L23 HydrophobicContact CE1-CB 4.22Å; Y21-I32 HydrophobicContact CD2-CG2 3.95Å; Y21-I32 HydrophobicContact CE2-CG2 3.28Å; Y21-V34 HydrophobicContact CD2-CG2 4.12Å
22Q91.4Very high88.4Confident88 Ų8876.5 Ų76.541%0.41140%0.399SS..EExtended strand (participates in β ladder)trans-138.5116.3176.3-65.8-177.4-8.300111.1V24 K33Q22-V24 PolarHBondContact O-N 3.24Å; Q22-K33 HydrophobicContact CB-CB 4.25Å; Q22-K33 PolarHBondContact N-O 3.17Å; Q22-K33 PolarHBondContact O-N 3.46Å
23L89.4Confident88.4Confident87 Ų8776.5 Ų76.546%0.45539%0.39SS..EExtended strand (participates in β ladder)trans-78.4106.6168.5-175.464.1000109.5Y21 I32Y21-L23 HydrophobicContact CE1-CB 4.22Å; L23-I32 HydrophobicContact CD1-CG1 4.03Å
24V88.1Confident88.4Confident76 Ų7676.5 Ų76.546%0.46139%0.39SS..EExtended strand (participates in β ladder)trans-81.9-37.9-176.4179.50000111.4Q22 K31 K33 L53Q22-V24 PolarHBondContact O-N 3.24Å; V24-K31 HydrophobicContact CB-CB 3.98Å; V24-K31 HydrophobicContact CG1-CB 4.47Å; V24-K31 PolarHBondContact N-O 3.16Å; V24-K33 HydrophobicContact CG2-CB 3.85Å; V24-L53 HydrophobicContact CG2-CD1 4.23Å
25Q85.5Confident88.5Confident72 Ų7272.8 Ų72.834%0.33637%0.374SS..EExtended strand (participates in β ladder)trans-154.7137.6-175.7-174.4171.40.600110.5T27 R30 K31Q25-T27 WeakPolarHBondContact CG-O 3.36Å; Q25-T27 PolarHBondContact NE2-O 3.43Å; Q25-R30 CarbonylContact O-C 3.53Å; Q25-R30 WeakPolarHBondContact O-CA 3.33Å; Q25-K31 HydrophobicContact CB-CB 3.99Å; Q25-K31 HydrophobicContact CB-CD 4.49Å; Q25-K31 HydrophobicContact CB-CG 4.09Å; Q25-K31 PolarHBondContact N-O 3.33Å; Q25-K31 PolarHBondContact O-N 3.25Å
26T79.1Confident88.3Confident74 Ų7468.8 Ų68.845%0.45435%0.346SS..  trans-99.8-35.8-179.4-46.80000113.2R30T26-R30 WeakPolarHBondContact O-CG 3.38Å
27T74.9Confident88.1Confident110 Ų11067.3 Ų67.368%0.67534%0.339SS*.SBendtrans-140.9146-178.449.50000111Q25Q25-T27 WeakPolarHBondContact CG-O 3.36Å; Q25-T27 PolarHBondContact NE2-O 3.43Å
28P73.1Confident87.8Confident120 Ų12066.5 Ų66.578%0.77934%0.339SS*.SBendcis-84.1-14.1-0.133.5-35.5000114.8
29R77.9Confident87Confident128 Ų12865.9 Ų65.948%0.48334%0.336SS..SBendtrans-121.9125.1172.4-67.7-174.31801654.5108.3K31R29-K31 PolarHBondContact O-N 3.01Å
30R84.5Confident85.8Confident81 Ų8161.4 Ų61.431%0.30632%0.317SS..EExtended strand (participates in β ladder)trans-68.4124.2178.5-74.2-178.2178.3-177.9-3.5108.9E7 Q25 T26 E55 L56E7-R30 IonicContact OE2-CZ 3.24Å; E7-R30 VanDerWaalsContact OE2-CZ 3.24Å; E7-R30 IonicContact OE2-NH1 2.68Å; E7-R30 PolarHBondContact OE2-NH1 2.89Å; E7-R30 IonicContact OE2-NH2 2.85Å; E7-R30 PolarHBondContact OE2-NH2 3.04Å; Q25-R30 CarbonylContact O-C 3.53Å; Q25-R30 WeakPolarHBondContact O-CA 3.33Å; T26-R30 WeakPolarHBondContact O-CG 3.38Å; R30-E55 WeakPolarHBondContact O-CA 3.39Å; R30-L56 HydrophobicContact CB-CB 4.22Å; R30-L56 HydrophobicContact CB-CD1 4.08Å; R30-L56 PolarHBondContact O-N 3.24Å
31K92.1Very high84.3Confident52 Ų5264.6 Ų64.623%0.22634%0.337CS..EExtended strand (participates in β ladder)trans-114.3123.3176.6-61.1-164.3-168.7-158.60109.8V24 Q25 R29 L53 F54 E55V24-K31 HydrophobicContact CB-CB 3.98Å; V24-K31 HydrophobicContact CG1-CB 4.47Å; V24-K31 PolarHBondContact N-O 3.16Å; Q25-K31 HydrophobicContact CB-CB 3.99Å; Q25-K31 HydrophobicContact CB-CD 4.49Å; Q25-K31 HydrophobicContact CB-CG 4.09Å; Q25-K31 PolarHBondContact N-O 3.33Å; Q25-K31 PolarHBondContact O-N 3.25Å; R29-K31 PolarHBondContact O-N 3.01Å; K31-L53 HydrophobicContact CB-CD1 4.34Å; K31-F54 CarbonylContact C-O 3.53Å; K31-F54 VanDerWaalsContact CA-O 3.23Å; K31-F54 WeakPolarHBondContact CA-O 3.27Å; K31-E55 HydrophobicContact CD-CG 4.16Å; K31-E55 WeakPolarHBondContact CE-OE1 3.21Å; K31-E55 HydrophobicContact CG-CB 4.43Å; K31-E55 HydrophobicContact CG-CG 4.08Å; K31-E55 IonicContact NZ-OE1 2.7Å; K31-E55 PolarHBondContact NZ-OE1 2.75Å
32I92.8Very high82.7Confident0 Ų070.4 Ų70.40%037%0.37CS..EExtended strand (participates in β ladder)trans-122.9132.8-176.3-62.5156.7000107.9L10 Y21 L23 V34 L53 F54 L56 L100L10-I32 HydrophobicContact CD1-CD1 4.11Å; L10-I32 HydrophobicContact CD2-CD1 3.23Å; L10-I32 HydrophobicContact CG-CD1 4.29Å; Y21-I32 HydrophobicContact CD2-CG2 3.95Å; Y21-I32 HydrophobicContact CE2-CG2 3.28Å; L23-I32 HydrophobicContact CD1-CG1 4.03Å; I32-V34 HydrophobicContact CG2-CG2 4.04Å; I32-L53 CarbonylContact O-C 3.59Å; I32-L53 WeakPolarHBondContact O-CA 3.45Å; I32-F54 PolarHBondContact N-O 3.44Å; I32-F54 PolarHBondContact O-N 3.25Å; I32-L56 HydrophobicContact CD1-CD1 3.45Å; I32-L56 VanDerWaalsContact CD1-CD1 3.45Å; I32-L56 HydrophobicContact CD1-CG 4.37Å; I32-L100 HydrophobicContact CD1-CD1 4.23Å
33K94.5Very high81.2Confident47 Ų4770.7 Ų70.720%0.20438%0.381CS..EExtended strand (participates in β ladder)trans-116.7129175.8-175.4-170.4-59.4166.30109.1Q22 V24 L52 L53Q22-K33 HydrophobicContact CB-CB 4.25Å; Q22-K33 PolarHBondContact N-O 3.17Å; Q22-K33 PolarHBondContact O-N 3.46Å; V24-K33 HydrophobicContact CG2-CB 3.85Å; K33-L52 CarbonylContact C-O 3.49Å; K33-L52 VanDerWaalsContact CA-O 3.28Å; K33-L52 WeakPolarHBondContact CA-O 3.21Å; K33-L53 HydrophobicContact CB-CD1 4.17Å
34V94.7Very high79.7Confident1 Ų167.3 Ų67.31%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-122.7129.3177-173.60000109.3Y17 K20 Y21 I32 L36 Q51 L52 L104Y17-V34 HydrophobicContact CD1-CG1 3.78Å; Y17-V34 HydrophobicContact CD2-CG1 4.31Å; Y17-V34 HydrophobicContact CE1-CG1 4.14Å; Y17-V34 HydrophobicContact CG-CG1 3.88Å; K20-V34 CarbonylContact O-C 3.6Å; K20-V34 WeakPolarHBondContact O-CA 3.24Å; Y21-V34 HydrophobicContact CD2-CG2 4.12Å; I32-V34 HydrophobicContact CG2-CG2 4.04Å; V34-L36 HydrophobicContact CG1-CD2 3.98Å; V34-L36 HydrophobicContact CG1-CG 4.49Å; V34-Q51 WeakPolarHBondContact O-CA 3.45Å; V34-L52 PolarHBondContact N-O 3.35Å; V34-L52 PolarHBondContact O-N 3.32Å; V34-L104 HydrophobicContact CB-CD2 3.82Å; V34-L104 HydrophobicContact CG1-CD1 4.28Å; V34-L104 HydrophobicContact CG1-CD2 3.82Å; V34-L104 HydrophobicContact CG2-CD1 4.09Å; V34-L104 HydrophobicContact CG2-CD2 4.14Å
35N93.9Very high78.4Confident29 Ų2969.3 Ų69.316%0.15538%0.381CS..EExtended strand (participates in β ladder)trans-91.4117.9176.1-60.9-41.6000109.8K20 Q51K20-N35 HydrophobicContact CB-CB 4.07Å; K20-N35 WeakPolarHBondContact CB-O 3.44Å; K20-N35 WeakPolarHBondContact CD-O 3.4Å; K20-N35 HydrophobicContact CG-CB 4.31Å; K20-N35 PolarHBondContact O-N 3.06Å; N35-Q51 VanDerWaalsContact OD1-CD 3.23Å; N35-Q51 WeakPolarHBondContact OD1-CG 3.37Å; N35-Q51 PolarHBondContact OD1-NE2 2.87Å
36L92.3Very high77.5Confident1 Ų167.1 Ų67.11%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-109.7134.2177.4-61-178.1000110.3Y17 V34 R49 C50 L52 L104 V107 L111Y17-L36 HydrophobicContact CD1-CD2 4.37Å; Y17-L36 HydrophobicContact CE1-CD2 3.71Å; V34-L36 HydrophobicContact CG1-CD2 3.98Å; V34-L36 HydrophobicContact CG1-CG 4.49Å; L36-R49 VanDerWaalsContact O-CA 3.3Å; L36-R49 WeakPolarHBondContact O-CA 3.03Å; L36-C50 PolarHBondContact N-O 3.41Å; L36-C50 PolarHBondContact O-N 3.34Å; L36-C50 VanDerWaalsContact O-O 3.09Å; L36-L52 HydrophobicContact CD1-CD1 3.61Å; L36-L52 HydrophobicContact CD1-CG 4.42Å; L36-L104 HydrophobicContact CD1-CD2 3.99Å; L36-L104 HydrophobicContact CD2-CD2 4.21Å; L36-L104 HydrophobicContact CG-CD2 4.33Å; L36-V107 HydrophobicContact CD1-CB 4.03Å; L36-V107 HydrophobicContact CD1-CG1 3.76Å; L36-L111 HydrophobicContact CB-CD1 3.54Å; L36-L111 HydrophobicContact CD1-CD1 4.31Å
37N89.9Confident77.3Confident61 Ų6169.7 Ų69.733%0.32638%0.377SS..EExtended strand (participates in β ladder)trans-124.4128.2179.1-59.9-18.5000107.6Q39 Q108N37-Q39 PolarHBondContact O-N 2.87Å; N37-Q108 PolarHBondContact O-NE2 3.33Å
38G83.8Confident77.9Confident11 Ų1164.4 Ų64.411%0.11335%0.345CS..  trans-59.9128.6170.400000110.1A40 V48 D112G38-A40 PolarHBondContact O-N 3.22Å; G38-V48 PolarHBondContact N-O 3.49Å; G38-D112 WeakPolarHBondContact CA-OD1 3.5Å
39Q76.3Confident78.7Confident133 Ų13362.8 Ų62.862%0.62132%0.323SS*.  trans-77.3106.6171.9-65.9-71-54.400107.7N37 D112N37-Q39 PolarHBondContact O-N 2.87Å; Q39-D112 PolarHBondContact N-OD1 3.46Å
40A63.8Low79.4Confident34 Ų3456.8 Ų56.828%0.28130%0.301SS..  trans-130.7148.1160.400000109G38 D42 L44 C115G38-A40 PolarHBondContact O-N 3.22Å; A40-D42 PolarHBondContact O-N 2.89Å; A40-L44 HydrophobicContact CB-CD1 3.54Å; A40-C115 HydrophobicContact CB-CB 4.2Å; A40-C115 WeakPolarHBondContact CB-SG 3.31Å
41D60.4Low79.9Confident127 Ų12753.9 Ų53.968%0.67929%0.291SS*.  trans-42.9131.7178.9-158-0.2000110.1S43 L44D41-S43 PolarHBondContact O-N 2.91Å; D41-S43 PolarHBondContact O-OG 3.45Å; D41-L44 PolarHBondContact O-N 3.34Å
42D58.3Low80Confident147 Ų14751.4 Ų51.479%0.78628%0.28SS*.THydrogen-bonded Turntrans-53.5-9.3-165.2-98-30000114.9A40 L44A40-D42 PolarHBondContact O-N 2.89Å; D42-L44 VanDerWaalsContact C-N 3.28Å; D42-L44 PolarHBondContact O-N 3.4Å
43S59.3Low80.1Confident94 Ų9452.3 Ų52.366%0.65729%0.285SS*.THydrogen-bonded Turntrans-66.7-14.1177.266.30000116.2D41D41-S43 PolarHBondContact O-N 2.91Å; D41-S43 PolarHBondContact O-OG 3.45Å
44L57.6Low80.1Confident16 Ų1650.1 Ų50.18%0.08428%0.275CS..  trans-93.2122-176.2-77.9150.9000113.2A40 D41 D42 T46 L119A40-L44 HydrophobicContact CB-CD1 3.54Å; D41-L44 PolarHBondContact O-N 3.34Å; D42-L44 VanDerWaalsContact C-N 3.28Å; D42-L44 PolarHBondContact O-N 3.4Å; L44-T46 PolarHBondContact O-N 3.39Å; L44-L119 HydrophobicContact CD1-CB 3.78Å; L44-L119 HydrophobicContact CD1-CD1 3.61Å; L44-L119 HydrophobicContact CD1-CD2 3.9Å; L44-L119 HydrophobicContact CD1-CG 3.89Å; L44-L119 HydrophobicContact CD2-CB 4.42Å; L44-L119 HydrophobicContact CD2-CD1 3.71Å; L44-L119 HydrophobicContact CG-CD1 3.78Å
45S62.6Low80Confident117 Ų11751.3 Ų51.382%0.81828%0.281SS*.SBendtrans-61.3-21.7165.4620000112.8
46T65.1Low79.9Confident26 Ų2650.5 Ų50.516%0.1628%0.277CS..  trans-100.589-173.6-47.60000110.6L44 N74 I118 Q122L44-T46 PolarHBondContact O-N 3.39Å; T46-N74 HydrophobicContact CG2-CB 4.06Å; T46-N74 WeakPolarHBondContact CG2-ND2 3.32Å; T46-N74 WeakPolarHBondContact CG2-OD1 3.26Å; T46-I118 HydrophobicContact CG2-CG2 4.31Å; T46-Q122 PolarHBondContact OG1-NE2 3.36Å
47K75.6Confident79.8Confident128 Ų12851.7 Ų51.756%0.55728%0.284SS*.  trans-84.2123.7174.9-63.8-175.2177.5-172.40109.9N74K47-N74 PolarHBondContact O-ND2 3.11Å
48V87.6Confident79.6Confident0 Ų054.6 Ų54.60%031%0.309CS..  trans-82128.5172.3-177.40000107.8G38 N74 L75 L111 I114 C115 I118G38-V48 PolarHBondContact N-O 3.49Å; V48-N74 HydrophobicContact CG2-CB 4.05Å; V48-L75 HydrophobicContact CG1-CD2 3.68Å; V48-L75 HydrophobicContact CG1-CG 3.89Å; V48-L111 HydrophobicContact CG1-CD2 3.93Å; V48-I114 HydrophobicContact CG1-CG2 4.47Å; V48-I114 HydrophobicContact CG2-CG2 4.43Å; V48-C115 HydrophobicContact CB-CB 4.35Å; V48-C115 HydrophobicContact CG2-CB 3.95Å; V48-I118 HydrophobicContact CG2-CD1 3.69Å
49R90.4Very high79.7Confident86 Ų8657 Ų5733%0.32533%0.325SS..EExtended strand (participates in β ladder)trans-148.8149.8179.952.1-177.9-94.3-150.614.2112.5L36 E73L36-R49 VanDerWaalsContact O-CA 3.3Å; L36-R49 WeakPolarHBondContact O-CA 3.03Å; R49-E73 WeakPolarHBondContact CD-OE2 3.5Å; R49-E73 HydrophobicContact CG-CB 3.62Å; R49-E73 HydrophobicContact CG-CG 3.91Å; R49-E73 WeakPolarHBondContact CG-OE2 3.49Å; R49-E73 IonicContact CZ-OE1 3.05Å; R49-E73 IonicContact CZ-OE2 3.99Å; R49-E73 PolarHBondContact N-O 3.05Å; R49-E73 IonicContact NE-OE1 2.73Å; R49-E73 PolarHBondContact NE-OE1 3.48Å; R49-E73 IonicContact NE-OE2 3.45Å; R49-E73 PolarHBondContact NE-OE2 3.46Å; R49-E73 IonicContact NH1-OE1 3.58Å; R49-E73 PolarHBondContact NH1-OE1 3.05Å; R49-E73 IonicContact NH1-OE2 2.75Å; R49-E73 PolarHBondContact NH1-OE2 2.97Å; R49-E73 IonicContact NH2-OE1 3.04Å; R49-E73 PolarHBondContact O-N 3.32Å
50C92.6Very high80.3Confident2 Ų251.7 Ų51.71%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-146.4156.4172.374.60000110.5L36 I69 L75L36-C50 PolarHBondContact N-O 3.41Å; L36-C50 PolarHBondContact O-N 3.34Å; L36-C50 VanDerWaalsContact O-O 3.09Å; C50-I69 HydrophobicContact CB-CG2 4.21Å; C50-L75 HydrophobicContact CB-CD1 3.89Å
51Q93.9Very high81.5Confident19 Ų1950.2 Ų50.29%0.08929%0.286CS..EExtended strand (participates in β ladder)trans-112.3129.4172.8-52.5-171.8-4500108.6V34 N35 I69 L70 K71V34-Q51 WeakPolarHBondContact O-CA 3.45Å; N35-Q51 VanDerWaalsContact OD1-CD 3.23Å; N35-Q51 WeakPolarHBondContact OD1-CG 3.37Å; N35-Q51 PolarHBondContact OD1-NE2 2.87Å; Q51-I69 CarbonylContact O-C 3.54Å; Q51-L70 HydrophobicContact CB-CB 4.1Å; Q51-L70 WeakPolarHBondContact CB-O 3.4Å; Q51-L70 PolarHBondContact N-O 3.15Å; Q51-L70 PolarHBondContact O-N 2.72Å; Q51-K71 HydrophobicContact CG-CB 4.32Å
52L94.7Very high82.9Confident0 Ų049 Ų490%028%0.28CS..EExtended strand (participates in β ladder)trans-103.9121.6174.8-70172.8000109.6K33 V34 L36 F54 I69 I87 L104 V107K33-L52 CarbonylContact C-O 3.49Å; K33-L52 VanDerWaalsContact CA-O 3.28Å; K33-L52 WeakPolarHBondContact CA-O 3.21Å; V34-L52 PolarHBondContact N-O 3.35Å; V34-L52 PolarHBondContact O-N 3.32Å; L36-L52 HydrophobicContact CD1-CD1 3.61Å; L36-L52 HydrophobicContact CD1-CG 4.42Å; L52-F54 HydrophobicContact CB-CD2 4.43Å; L52-F54 HydrophobicContact CB-CE2 3.69Å; L52-F54 HydrophobicContact CB-CZ 3.99Å; L52-F54 HydrophobicContact CD1-CE2 4.34Å; L52-F54 HydrophobicContact CD1-CZ 4.05Å; L52-I69 HydrophobicContact CD2-CB 4.46Å; L52-I69 HydrophobicContact CD2-CG1 3.74Å; L52-I87 HydrophobicContact CD2-CD1 4.22Å; L52-L104 HydrophobicContact CD1-CD2 3.84Å; L52-V107 HydrophobicContact CD1-CB 4.18Å; L52-V107 HydrophobicContact CD1-CG1 4.04Å; L52-V107 HydrophobicContact CD1-CG2 4.14Å
53L95Very high84.4Confident19 Ų1948.2 Ų48.210%0.09927%0.27CS..EExtended strand (participates in β ladder)trans-103.9116172.5177.570.9000109.2V24 K31 I32 K33 Y67 Q68 L70V24-L53 HydrophobicContact CG2-CD1 4.23Å; K31-L53 HydrophobicContact CB-CD1 4.34Å; I32-L53 CarbonylContact O-C 3.59Å; I32-L53 WeakPolarHBondContact O-CA 3.45Å; K33-L53 HydrophobicContact CB-CD1 4.17Å; L53-Y67 CarbonylContact O-C 3.46Å; L53-Y67 VanDerWaalsContact O-CA 3.24Å; L53-Y67 WeakPolarHBondContact O-CA 3.47Å; L53-Q68 HydrophobicContact CB-CB 4.37Å; L53-Q68 PolarHBondContact N-O 2.87Å; L53-Q68 PolarHBondContact O-N 2.81Å; L53-L70 HydrophobicContact CB-CD1 3.95Å; L53-L70 HydrophobicContact CD2-CD1 4.19Å
54F94.4Very high85.9Confident1 Ų145.6 Ų45.60%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-101.5132.2174.2-61.3-79.4000110.8K31 I32 L52 P65 K66 L100 I103 L104K31-F54 CarbonylContact C-O 3.53Å; K31-F54 VanDerWaalsContact CA-O 3.23Å; K31-F54 WeakPolarHBondContact CA-O 3.27Å; I32-F54 PolarHBondContact N-O 3.44Å; I32-F54 PolarHBondContact O-N 3.25Å; L52-F54 HydrophobicContact CB-CD2 4.43Å; L52-F54 HydrophobicContact CB-CE2 3.69Å; L52-F54 HydrophobicContact CB-CZ 3.99Å; L52-F54 HydrophobicContact CD1-CE2 4.34Å; L52-F54 HydrophobicContact CD1-CZ 4.05Å; F54-P65 HydrophobicContact CD1-CB 4.47Å; F54-K66 CarbonylContact C-O 3.48Å; F54-K66 WeakPolarHBondContact CA-O 3.43Å; F54-L100 HydrophobicContact CB-CD2 4.03Å; F54-L100 HydrophobicContact CD1-CD2 3.59Å; F54-L100 HydrophobicContact CD2-CD2 4Å; F54-L100 HydrophobicContact CE1-CD2 3.98Å; F54-L100 HydrophobicContact CE2-CD2 4.35Å; F54-L100 HydrophobicContact CG-CD2 3.59Å; F54-L100 HydrophobicContact CZ-CD2 4.33Å; F54-I103 HydrophobicContact CE1-CD1 4.26Å; F54-I103 HydrophobicContact CE1-CG2 3.94Å; F54-I103 HydrophobicContact CZ-CB 4.48Å; F54-I103 HydrophobicContact CZ-CG2 3.78Å; F54-L104 HydrophobicContact CE2-CD2 3.86Å; F54-L104 HydrophobicContact CE2-CG 4.33Å; F54-L104 HydrophobicContact CZ-CD2 4.25Å
55E93.1Very high87.6Confident27 Ų2745 Ų4513%0.12625%0.251CS..EExtended strand (participates in β ladder)trans-109.5112.3165.9-44.1-171.3148.300109.4R30 K31 K66R30-E55 WeakPolarHBondContact O-CA 3.39Å; K31-E55 HydrophobicContact CD-CG 4.16Å; K31-E55 WeakPolarHBondContact CE-OE1 3.21Å; K31-E55 HydrophobicContact CG-CB 4.43Å; K31-E55 HydrophobicContact CG-CG 4.08Å; K31-E55 IonicContact NZ-OE1 2.7Å; K31-E55 PolarHBondContact NZ-OE1 2.75Å; E55-K66 HydrophobicContact CB-CB 4.16Å; E55-K66 HydrophobicContact CG-CB 4.49Å; E55-K66 PolarHBondContact N-O 3.35Å; E55-K66 PolarHBondContact O-N 3.36Å
56L91.2Very high89Confident12 Ų1245.5 Ų45.56%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-85.3122.6-178.2-65165.6000110.6L10 R30 I32 Y60 P65 L100L10-L56 HydrophobicContact CD1-CD1 4.24Å; L10-L56 HydrophobicContact CD2-CD1 4.14Å; R30-L56 HydrophobicContact CB-CB 4.22Å; R30-L56 HydrophobicContact CB-CD1 4.08Å; R30-L56 PolarHBondContact O-N 3.24Å; I32-L56 HydrophobicContact CD1-CD1 3.45Å; I32-L56 VanDerWaalsContact CD1-CD1 3.45Å; I32-L56 HydrophobicContact CD1-CG 4.37Å; L56-Y60 HydrophobicContact CD2-CD1 3.82Å; L56-Y60 HydrophobicContact CD2-CD2 3.53Å; L56-Y60 HydrophobicContact CD2-CE1 4.02Å; L56-Y60 HydrophobicContact CD2-CE2 3.72Å; L56-Y60 HydrophobicContact CD2-CG 3.58Å; L56-P65 HydrophobicContact CD2-CB 4.02Å; L56-L100 HydrophobicContact CD1-CD1 4.36Å; L56-L100 HydrophobicContact CD2-CD1 4.08Å; L56-L100 HydrophobicContact CD2-CD2 4.38Å; L56-L100 HydrophobicContact CD2-CG 4.47Å
57P89.4Confident90.4Very high25 Ų2546.8 Ų46.816%0.16224%0.24CC..  trans-70.7158.6169.130.7-34.3000110.8S59 Y60 K63P57-S59 PolarHBondContact O-N 3.2Å; P57-S59 VanDerWaalsContact O-N 3.09Å; P57-Y60 VanDerWaalsContact O-CB 3.28Å; P57-Y60 WeakPolarHBondContact O-CB 3.41Å; P57-Y60 PolarHBondContact O-N 3.31Å; P57-K63 HydrophobicContact CB-CD 4.3Å; P57-K63 HydrophobicContact CG-CB 3.98Å; P57-K63 HydrophobicContact CG-CD 4.32Å; P57-K63 HydrophobicContact CG-CG 4.12Å
58S85.7Confident91.3Very high123 Ų12345.4 Ų45.486%0.8624%0.236SC*.THydrogen-bonded Turntrans-61.7-17.217552.10000114.2
59S87.7Confident91.6Very high62 Ų6246.8 Ų46.843%0.43424%0.243SC..THydrogen-bonded Turntrans-96.87.8177.3-49.40000113.5P57 N62 K63P57-S59 PolarHBondContact O-N 3.2Å; P57-S59 VanDerWaalsContact O-N 3.09Å; S59-N62 WeakPolarHBondContact O-CA 3.23Å; S59-N62 WeakPolarHBondContact O-CB 3.25Å; S59-N62 PolarHBondContact O-N 2.86Å; S59-K63 PolarHBondContact O-N 2.93Å; S59-K63 VanDerWaalsContact O-N 3.13Å
60Y87.4Confident91.7Very high21 Ų2145.5 Ų45.58%0.08224%0.242CC..THydrogen-bonded Turntrans-61.2135.7172.3-175.8-94.9000109.9C6 E9 L56 P57 P65 V98 M99 L100C6-Y60 HydrophobicContact CB-CD1 4.26Å; C6-Y60 VanDerWaalsContact SG-CD1 3.57Å; C6-Y60 PolarHBondContact SG-O 3.01Å; E9-Y60 PolarHBondContact OE1-OH 3.16Å; E9-Y60 VanDerWaalsContact OE2-CE1 3.28Å; E9-Y60 WeakPolarHBondContact OE2-CE1 3.49Å; E9-Y60 PolarHBondContact OE2-OH 3.22Å; L56-Y60 HydrophobicContact CD2-CD1 3.82Å; L56-Y60 HydrophobicContact CD2-CD2 3.53Å; L56-Y60 HydrophobicContact CD2-CE1 4.02Å; L56-Y60 HydrophobicContact CD2-CE2 3.72Å; L56-Y60 HydrophobicContact CD2-CG 3.58Å; P57-Y60 VanDerWaalsContact O-CB 3.28Å; P57-Y60 WeakPolarHBondContact O-CB 3.41Å; P57-Y60 PolarHBondContact O-N 3.31Å; Y60-P65 HydrophobicContact CD2-CB 4.48Å; Y60-P65 HydrophobicContact CE2-CB 4.46Å; Y60-P65 HydrophobicContact CE2-CG 4.2Å; Y60-V98 HydrophobicContact CE1-CG1 4.46Å; Y60-M99 HydrophobicContact CD2-CE 4.39Å; Y60-M99 HydrophobicContact CE2-CE 3.83Å; Y60-M99 HydrophobicContact CE2-CG 3.96Å; Y60-M99 HydrophobicContact CE2-SD 4.47Å; Y60-M99 PolarHBondContact OH-N 3.32Å; Y60-L100 PolarHBondContact OH-N 3.46Å
61P89.3Confident91.6Very high2 Ų251.4 Ų51.41%0.01327%0.268CS..THydrogen-bonded Turncis-92.80.110.226-12.7000114.9M1 C6 K63 G96 F97M1-P61 HydrophobicContact CB-CG 3.94Å; M1-P61 HydrophobicContact CG-CG 4.02Å; M1-P61 HydrophobicContact SD-CB 4.47Å; M1-P61 HydrophobicContact SD-CG 3.48Å; M1-P61 WeakPolarHBondContact SD-CG 3.49Å; C6-P61 VanDerWaalsContact SG-CD 3.51Å; P61-K63 PolarHBondContact O-N 3.04Å; P61-G96 PolarHBondContact O-N 2.97Å; P61-F97 VanDerWaalsContact CB-C 3.42Å; P61-F97 WeakPolarHBondContact CB-O 3.24Å
62N88.9Confident91.4Very high102 Ų10253.2 Ų53.255%0.54528%0.281SS..THydrogen-bonded Turntrans-67.1-17.3179.7-56.7-50.2000113S59S59-N62 WeakPolarHBondContact O-CA 3.23Å; S59-N62 WeakPolarHBondContact O-CB 3.25Å; S59-N62 PolarHBondContact O-N 2.86Å
63K89.8Confident91.1Very high131 Ų13156.9 Ų56.957%0.5730%0.298SS*.SBendtrans-124.3134.1174.6-171.4173.1-174.3168.90110P57 S59 P61P57-K63 HydrophobicContact CB-CD 4.3Å; P57-K63 HydrophobicContact CG-CB 3.98Å; P57-K63 HydrophobicContact CG-CD 4.32Å; P57-K63 HydrophobicContact CG-CG 4.12Å; S59-K63 PolarHBondContact O-N 2.93Å; S59-K63 VanDerWaalsContact O-N 3.13Å; P61-K63 PolarHBondContact O-N 3.04Å
64A91.7Very high90.7Very high38 Ų3859.8 Ų59.831%0.31431%0.314SS..PPolyproline II helixtrans-52.2137.1178.800000112.7I91A64-I91 HydrophobicContact CB-CG2 3.43Å; A64-I91 VanDerWaalsContact CB-CG2 3.43Å
65P92.8Very high90.4Very high5 Ų560.9 Ų60.93%0.03232%0.32CS..PPolyproline II helixtrans-66.7146.8169.429.6-32.9000109.7F54 L56 Y60 M99 L100 I103F54-P65 HydrophobicContact CD1-CB 4.47Å; L56-P65 HydrophobicContact CD2-CB 4.02Å; Y60-P65 HydrophobicContact CD2-CB 4.48Å; Y60-P65 HydrophobicContact CE2-CB 4.46Å; Y60-P65 HydrophobicContact CE2-CG 4.2Å; P65-M99 VanDerWaalsContact CD-SD 3.54Å; P65-M99 HydrophobicContact CG-SD 4.14Å; P65-L100 HydrophobicContact CG-CD2 4.37Å; P65-I103 HydrophobicContact CG-CD1 4.45Å
66K93.4Very high90.2Very high127 Ų12762.1 Ų62.155%0.55233%0.331SS*.EExtended strand (participates in β ladder)trans-79.4138.5164.7-62.2-173.3174.6-167.10108F54 E55F54-K66 CarbonylContact C-O 3.48Å; F54-K66 WeakPolarHBondContact CA-O 3.43Å; E55-K66 HydrophobicContact CB-CB 4.16Å; E55-K66 HydrophobicContact CG-CB 4.49Å; E55-K66 PolarHBondContact N-O 3.35Å; E55-K66 PolarHBondContact O-N 3.36Å
67Y94.4Very high90.2Very high52 Ų5268 Ų6820%0.20436%0.363CS..EExtended strand (participates in β ladder)trans-127.2151.4178.263.9-89.1000111.1L53 K84 I87 N88 I91L53-Y67 CarbonylContact O-C 3.46Å; L53-Y67 VanDerWaalsContact O-CA 3.24Å; L53-Y67 WeakPolarHBondContact O-CA 3.47Å; Y67-K84 HydrophobicContact CE2-CG 4.32Å; Y67-I87 HydrophobicContact CD1-CG2 3.65Å; Y67-I87 HydrophobicContact CD2-CD1 3.9Å; Y67-I87 HydrophobicContact CD2-CG2 4.06Å; Y67-I87 HydrophobicContact CE1-CB 4.44Å; Y67-I87 HydrophobicContact CE1-CG2 3.48Å; Y67-I87 VanDerWaalsContact CE1-CG2 3.48Å; Y67-I87 HydrophobicContact CE2-CB 4.27Å; Y67-I87 HydrophobicContact CE2-CD1 3.89Å; Y67-I87 HydrophobicContact CE2-CG2 3.91Å; Y67-I87 HydrophobicContact CG-CG2 3.94Å; Y67-N88 VanDerWaalsContact OH-CG 3.22Å; Y67-N88 PolarHBondContact OH-ND2 3.46Å; Y67-N88 VanDerWaalsContact OH-ND2 3.14Å; Y67-N88 PolarHBondContact OH-OD1 3.32Å; Y67-I91 HydrophobicContact CD1-CD1 3.84Å; Y67-I91 HydrophobicContact CE1-CD1 3.69Å
68Q94.1Very high90.4Very high99 Ų9974.1 Ų74.146%0.46339%0.389SS..EExtended strand (participates in β ladder)trans-138.3134.1172.3-64-178.9700109.2L53L53-Q68 HydrophobicContact CB-CB 4.37Å; L53-Q68 PolarHBondContact N-O 2.87Å; L53-Q68 PolarHBondContact O-N 2.81Å
69I94.2Very high90.7Very high30 Ų3069.7 Ų69.715%0.15436%0.356CS..EExtended strand (participates in β ladder)trans-91.7119.3173.8-52.9171.1000107.2C50 Q51 L52 I80 I83 K84 I87C50-I69 HydrophobicContact CB-CG2 4.21Å; Q51-I69 CarbonylContact O-C 3.54Å; L52-I69 HydrophobicContact CD2-CB 4.46Å; L52-I69 HydrophobicContact CD2-CG1 3.74Å; I69-I80 HydrophobicContact CD1-CG2 4.1Å; I69-I83 HydrophobicContact CD1-CB 4.35Å; I69-I83 HydrophobicContact CD1-CG2 3.7Å; I69-K84 HydrophobicContact CD1-CG 3.96Å; I69-I87 HydrophobicContact CD1-CD1 4.49Å
70L91.9Very high90.9Very high58 Ų5867.9 Ų67.930%0.30434%0.341SS..EExtended strand (participates in β ladder)trans-116.7149.5-178.2-59.9175.4000110Q51 L53Q51-L70 HydrophobicContact CB-CB 4.1Å; Q51-L70 WeakPolarHBondContact CB-O 3.4Å; Q51-L70 PolarHBondContact N-O 3.15Å; Q51-L70 PolarHBondContact O-N 2.72Å; L53-L70 HydrophobicContact CB-CD1 3.95Å; L53-L70 HydrophobicContact CD2-CD1 4.19Å
71K89.7Confident91.3Very high127 Ų12769.7 Ų69.755%0.55236%0.357SS*.EExtended strand (participates in β ladder)trans44.856178.7-55.1-172.1-174.7-179.70113.9Q51 E73Q51-K71 HydrophobicContact CG-CB 4.32Å; K71-E73 PolarHBondContact O-N 2.86Å
72P90.7Very high91.5Very high57 Ų5772.6 Ų72.637%0.3737%0.372SS..EExtended strand (participates in β ladder)trans-65.8117.5170.328.8-32.3000109.2L75 I80P72-L75 HydrophobicContact CB-CB 4.14Å; P72-L75 HydrophobicContact CB-CD1 3.85Å; P72-I80 HydrophobicContact CB-CD1 3.92Å; P72-I80 HydrophobicContact CB-CG1 4.37Å; P72-I80 HydrophobicContact CG-CD1 3.87Å
73E88.7Confident91.8Very high76 Ų7667.8 Ų67.836%0.35535%0.347SS..EExtended strand (participates in β ladder)trans-111.5131.1171.8-60179.5-173.200108.8R49 K71 L75R49-E73 WeakPolarHBondContact CD-OE2 3.5Å; R49-E73 HydrophobicContact CG-CB 3.62Å; R49-E73 HydrophobicContact CG-CG 3.91Å; R49-E73 WeakPolarHBondContact CG-OE2 3.49Å; R49-E73 IonicContact CZ-OE1 3.05Å; R49-E73 IonicContact CZ-OE2 3.99Å; R49-E73 PolarHBondContact N-O 3.05Å; R49-E73 IonicContact NE-OE1 2.73Å; R49-E73 PolarHBondContact NE-OE1 3.48Å; R49-E73 IonicContact NE-OE2 3.45Å; R49-E73 PolarHBondContact NE-OE2 3.46Å; R49-E73 IonicContact NH1-OE1 3.58Å; R49-E73 PolarHBondContact NH1-OE1 3.05Å; R49-E73 IonicContact NH1-OE2 2.75Å; R49-E73 PolarHBondContact NH1-OE2 2.97Å; R49-E73 IonicContact NH2-OE1 3.04Å; R49-E73 PolarHBondContact O-N 3.32Å; K71-E73 PolarHBondContact O-N 2.86Å; E73-L75 VanDerWaalsContact C-N 3.27Å; E73-L75 PolarHBondContact O-N 3.18Å
74N86.1Confident92.1Very high81 Ų8166 Ų6643%0.43334%0.339SS..SBendtrans59.732-177.8-56.7-59.3000114.6T46 K47 V48 I118T46-N74 HydrophobicContact CG2-CB 4.06Å; T46-N74 WeakPolarHBondContact CG2-ND2 3.32Å; T46-N74 WeakPolarHBondContact CG2-OD1 3.26Å; K47-N74 PolarHBondContact O-ND2 3.11Å; V48-N74 HydrophobicContact CG2-CB 4.05Å; N74-I118 HydrophobicContact CB-CD1 4.47Å
75L87.9Confident92.3Very high24 Ų2468.5 Ų68.513%0.12635%0.346CS..  trans-117.2132.2173.6-68.7164.8000109.2V48 C50 P72 E73 D79 I80 I83 L111 I114V48-L75 HydrophobicContact CG1-CD2 3.68Å; V48-L75 HydrophobicContact CG1-CG 3.89Å; C50-L75 HydrophobicContact CB-CD1 3.89Å; P72-L75 HydrophobicContact CB-CB 4.14Å; P72-L75 HydrophobicContact CB-CD1 3.85Å; E73-L75 VanDerWaalsContact C-N 3.27Å; E73-L75 PolarHBondContact O-N 3.18Å; L75-D79 HydrophobicContact CB-CB 4.41Å; L75-D79 HydrophobicContact CD2-CB 3.99Å; L75-I80 HydrophobicContact CB-CG1 4.21Å; L75-I83 HydrophobicContact CD1-CD1 4.4Å; L75-I83 HydrophobicContact CD2-CD1 4.22Å; L75-L111 HydrophobicContact CD1-CD2 3.98Å; L75-L111 HydrophobicContact CD2-CD2 3.9Å; L75-L111 HydrophobicContact CG-CD2 4.47Å; L75-I114 HydrophobicContact CD2-CD1 3.61Å; L75-I114 HydrophobicContact CD2-CG2 4.24Å
76S89.4Confident92.4Very high52 Ų5269.7 Ų69.736%0.36435%0.352SS..  trans-78164.5171.568.60000111.5E78 D79 I80S76-E78 PolarHBondContact O-N 2.72Å; S76-D79 WeakPolarHBondContact CB-OD2 3.28Å; S76-D79 PolarHBondContact N-OD2 3.44Å; S76-D79 WeakPolarHBondContact O-CB 3.43Å; S76-D79 PolarHBondContact O-N 3.46Å; S76-D79 VanDerWaalsContact O-N 3.13Å; S76-D79 PolarHBondContact OG-N 3.29Å; S76-D79 VanDerWaalsContact OG-N 3.16Å; S76-D79 PolarHBondContact OG-OD2 2.83Å; S76-I80 WeakPolarHBondContact O-CG1 3.34Å; S76-I80 PolarHBondContact O-N 3.27Å
77D91.4Very high92.5Very high136 Ų13663.7 Ų63.773%0.72733%0.326SS*.Hα-helixtrans-62.4-30.2175.2-69.8-32.6000112.4S81D77-S81 WeakPolarHBondContact O-CB 3.47Å; D77-S81 PolarHBondContact O-N 2.79Å; D77-S81 PolarHBondContact O-OG 3.14Å
78E92.7Very high92.5Very high154 Ų15464.5 Ų64.572%0.7233%0.333SS*.Hα-helixtrans-65.7-46.9172.2-64.9179.5-176.200110.5S76 I80 S81 D82S76-E78 PolarHBondContact O-N 2.72Å; E78-I80 VanDerWaalsContact C-N 3.32Å; E78-I80 PolarHBondContact O-N 2.96Å; E78-S81 WeakPolarHBondContact O-CB 3.26Å; E78-S81 PolarHBondContact O-N 2.75Å; E78-S81 VanDerWaalsContact O-N 3.07Å; E78-D82 PolarHBondContact O-N 3.38Å
79D92.1Very high92.6Very high29 Ų2964.5 Ų64.516%0.15533%0.333CS..Hα-helixtrans-60.6-40.9177-63.5-50.4000112L75 S76 S81 D82 I83 I114L75-D79 HydrophobicContact CB-CB 4.41Å; L75-D79 HydrophobicContact CD2-CB 3.99Å; S76-D79 WeakPolarHBondContact CB-OD2 3.28Å; S76-D79 PolarHBondContact N-OD2 3.44Å; S76-D79 WeakPolarHBondContact O-CB 3.43Å; S76-D79 PolarHBondContact O-N 3.46Å; S76-D79 VanDerWaalsContact O-N 3.13Å; S76-D79 PolarHBondContact OG-N 3.29Å; S76-D79 VanDerWaalsContact OG-N 3.16Å; S76-D79 PolarHBondContact OG-OD2 2.83Å; D79-S81 VanDerWaalsContact C-N 3.29Å; D79-S81 PolarHBondContact O-N 3.13Å; D79-D82 PolarHBondContact O-N 2.85Å; D79-I83 WeakPolarHBondContact O-CB 3.47Å; D79-I83 WeakPolarHBondContact O-CD1 3.45Å; D79-I83 WeakPolarHBondContact O-CG1 3.39Å; D79-I83 PolarHBondContact O-N 2.93Å; D79-I114 HydrophobicContact CB-CD1 3.72Å
80I93.1Very high92.7Very high24 Ų2463.4 Ų63.412%0.12333%0.328CS..Hα-helixtrans-64.4-37.6176.5-66.1168.5000110.7I69 P72 L75 S76 E78 K84I69-I80 HydrophobicContact CD1-CG2 4.1Å; P72-I80 HydrophobicContact CB-CD1 3.92Å; P72-I80 HydrophobicContact CB-CG1 4.37Å; P72-I80 HydrophobicContact CG-CD1 3.87Å; L75-I80 HydrophobicContact CB-CG1 4.21Å; S76-I80 WeakPolarHBondContact O-CG1 3.34Å; S76-I80 PolarHBondContact O-N 3.27Å; E78-I80 VanDerWaalsContact C-N 3.32Å; E78-I80 PolarHBondContact O-N 2.96Å; I80-K84 HydrophobicContact CG2-CD 4.49Å; I80-K84 WeakPolarHBondContact O-CG 3.32Å; I80-K84 PolarHBondContact O-N 2.92Å
81S94.6Very high92.8Very high59 Ų5961.4 Ų61.441%0.41332%0.317SS..Hα-helixtrans-68.7-43.9178-59.90000111.3D77 E78 D79 I83 K84 I85D77-S81 WeakPolarHBondContact O-CB 3.47Å; D77-S81 PolarHBondContact O-N 2.79Å; D77-S81 PolarHBondContact O-OG 3.14Å; E78-S81 WeakPolarHBondContact O-CB 3.26Å; E78-S81 PolarHBondContact O-N 2.75Å; E78-S81 VanDerWaalsContact O-N 3.07Å; D79-S81 VanDerWaalsContact C-N 3.29Å; D79-S81 PolarHBondContact O-N 3.13Å; S81-I83 VanDerWaalsContact C-N 3.35Å; S81-I83 PolarHBondContact O-N 2.97Å; S81-K84 WeakPolarHBondContact O-CB 3.44Å; S81-K84 PolarHBondContact O-N 3.41Å; S81-I85 WeakPolarHBondContact O-CG1 3.42Å; S81-I85 PolarHBondContact O-N 3.35Å
82D94.7Very high93Very high64 Ų6463 Ų6334%0.34233%0.327SS..Hα-helixtrans-58.3-46.1172.9-79.71.9000111.7E78 D79 K84 I85 I86 K110E78-D82 PolarHBondContact O-N 3.38Å; D79-D82 PolarHBondContact O-N 2.85Å; D82-K84 VanDerWaalsContact C-N 3.3Å; D82-K84 PolarHBondContact O-N 2.85Å; D82-I85 WeakPolarHBondContact O-CB 3.23Å; D82-I85 PolarHBondContact O-N 3.48Å; D82-I85 VanDerWaalsContact O-N 3.16Å; D82-I86 WeakPolarHBondContact O-CG1 3.46Å; D82-I86 PolarHBondContact O-N 3.11Å; D82-K110 IonicContact OD2-NZ 3.47Å; D82-K110 PolarHBondContact OD2-NZ 3.39Å
83I94.5Very high93.1Very high1 Ų168.7 Ų68.71%0.00534%0.341CS..Hα-helixtrans-59.1-42.9176.9-72.2166.1000110.3I69 L75 D79 S81 I85 I86 I87 V107 K110 L111I69-I83 HydrophobicContact CD1-CB 4.35Å; I69-I83 HydrophobicContact CD1-CG2 3.7Å; L75-I83 HydrophobicContact CD1-CD1 4.4Å; L75-I83 HydrophobicContact CD2-CD1 4.22Å; D79-I83 WeakPolarHBondContact O-CB 3.47Å; D79-I83 WeakPolarHBondContact O-CD1 3.45Å; D79-I83 WeakPolarHBondContact O-CG1 3.39Å; D79-I83 PolarHBondContact O-N 2.93Å; S81-I83 VanDerWaalsContact C-N 3.35Å; S81-I83 PolarHBondContact O-N 2.97Å; I83-I85 VanDerWaalsContact C-N 3.34Å; I83-I85 PolarHBondContact O-N 3.47Å; I83-I86 PolarHBondContact O-N 3.26Å; I83-I87 HydrophobicContact CG2-CD1 3.77Å; I83-I87 HydrophobicContact CG2-CG1 4.36Å; I83-I87 WeakPolarHBondContact O-CG1 3.44Å; I83-I87 PolarHBondContact O-N 3.08Å; I83-V107 HydrophobicContact CG2-CG1 4.06Å; I83-V107 HydrophobicContact CG2-CG2 4.01Å; I83-K110 HydrophobicContact CG1-CB 4.5Å; I83-K110 HydrophobicContact CG1-CG 3.85Å; I83-L111 HydrophobicContact CD1-CD2 4.2Å
84K95.4Very high93.2Very high93 Ų9365.8 Ų65.840%0.40433%0.329SS..Hα-helixtrans-62.4-40.4176.2-72.5169.5-178.5170.80112.3Y67 I69 I80 S81 D82 I87 N88Y67-K84 HydrophobicContact CE2-CG 4.32Å; I69-K84 HydrophobicContact CD1-CG 3.96Å; I80-K84 HydrophobicContact CG2-CD 4.49Å; I80-K84 WeakPolarHBondContact O-CG 3.32Å; I80-K84 PolarHBondContact O-N 2.92Å; S81-K84 WeakPolarHBondContact O-CB 3.44Å; S81-K84 PolarHBondContact O-N 3.41Å; D82-K84 VanDerWaalsContact C-N 3.3Å; D82-K84 PolarHBondContact O-N 2.85Å; K84-I87 PolarHBondContact O-N 2.94Å; K84-N88 VanDerWaalsContact O-CG 3.3Å; K84-N88 PolarHBondContact O-N 3.48Å; K84-N88 PolarHBondContact O-ND2 3.06Å
85I96.1Very high93.5Very high90 Ų9066.5 Ų66.546%0.46233%0.332SS..Hα-helixtrans-61-50.6176.9-67.4165000109.5S81 D82 I83 I87 N88 E89S81-I85 WeakPolarHBondContact O-CG1 3.42Å; S81-I85 PolarHBondContact O-N 3.35Å; D82-I85 WeakPolarHBondContact O-CB 3.23Å; D82-I85 PolarHBondContact O-N 3.48Å; D82-I85 VanDerWaalsContact O-N 3.16Å; I83-I85 VanDerWaalsContact C-N 3.34Å; I83-I85 PolarHBondContact O-N 3.47Å; I85-I87 VanDerWaalsContact C-N 3.33Å; I85-I87 PolarHBondContact O-N 3.38Å; I85-N88 PolarHBondContact O-N 3.33Å; I85-N88 VanDerWaalsContact O-N 3.1Å; I85-E89 HydrophobicContact CG2-CG 4.44Å; I85-E89 WeakPolarHBondContact O-CG 3.34Å; I85-E89 PolarHBondContact O-N 3.31Å
86I95.1Very high93.5Very high31 Ų3166.2 Ų66.216%0.15934%0.336CS..Hα-helixtrans-55.9-47.1177.7-67.2164.8000111D82 I83 N88 E89 V90 E106 K110D82-I86 WeakPolarHBondContact O-CG1 3.46Å; D82-I86 PolarHBondContact O-N 3.11Å; I83-I86 PolarHBondContact O-N 3.26Å; I86-N88 VanDerWaalsContact C-N 3.33Å; I86-N88 PolarHBondContact O-N 2.9Å; I86-E89 PolarHBondContact O-N 2.97Å; I86-V90 VanDerWaalsContact O-CG2 3.31Å; I86-V90 WeakPolarHBondContact O-CG2 3.46Å; I86-V90 PolarHBondContact O-N 3.49Å; I86-E106 HydrophobicContact CG2-CB 3.67Å; I86-K110 HydrophobicContact CD1-CB 3.95Å; I86-K110 HydrophobicContact CD1-CD 3.78Å; I86-K110 HydrophobicContact CD1-CG 3.78Å
87I95.4Very high93.6Very high1 Ų170.2 Ų70.21%0.00535%0.347CS..Hα-helixtrans-59.5-44.7178.3-65.8166.9000110.9L52 Y67 I69 I83 K84 I85 V90 I91 I103 V107L52-I87 HydrophobicContact CD2-CD1 4.22Å; Y67-I87 HydrophobicContact CD1-CG2 3.65Å; Y67-I87 HydrophobicContact CD2-CD1 3.9Å; Y67-I87 HydrophobicContact CD2-CG2 4.06Å; Y67-I87 HydrophobicContact CE1-CB 4.44Å; Y67-I87 HydrophobicContact CE1-CG2 3.48Å; Y67-I87 VanDerWaalsContact CE1-CG2 3.48Å; Y67-I87 HydrophobicContact CE2-CB 4.27Å; Y67-I87 HydrophobicContact CE2-CD1 3.89Å; Y67-I87 HydrophobicContact CE2-CG2 3.91Å; Y67-I87 HydrophobicContact CG-CG2 3.94Å; I69-I87 HydrophobicContact CD1-CD1 4.49Å; I83-I87 HydrophobicContact CG2-CD1 3.77Å; I83-I87 HydrophobicContact CG2-CG1 4.36Å; I83-I87 WeakPolarHBondContact O-CG1 3.44Å; I83-I87 PolarHBondContact O-N 3.08Å; K84-I87 PolarHBondContact O-N 2.94Å; I85-I87 VanDerWaalsContact C-N 3.33Å; I85-I87 PolarHBondContact O-N 3.38Å; I87-V90 PolarHBondContact O-N 3.03Å; I87-I91 HydrophobicContact CG2-CD1 3.69Å; I87-I91 HydrophobicContact CG2-CG1 4.34Å; I87-I91 VanDerWaalsContact O-CG1 3.22Å; I87-I91 WeakPolarHBondContact O-CG1 3.36Å; I87-I91 PolarHBondContact O-N 2.82Å; I87-I103 HydrophobicContact CB-CG2 4.47Å; I87-I103 HydrophobicContact CG1-CG2 3.91Å; I87-I103 HydrophobicContact CG2-CD1 4.49Å; I87-I103 HydrophobicContact CG2-CG2 4.06Å; I87-V107 HydrophobicContact CD1-CG2 3.99Å; I87-V107 HydrophobicContact CG1-CG2 3.67Å
88N95.4Very high93.6Very high68 Ų6866 Ų6636%0.36433%0.325SS..Hα-helixtrans-66.2-40.2179.9-68.5-42000112.1Y67 K84 I85 I86 V90 I91 E92Y67-N88 VanDerWaalsContact OH-CG 3.22Å; Y67-N88 PolarHBondContact OH-ND2 3.46Å; Y67-N88 VanDerWaalsContact OH-ND2 3.14Å; Y67-N88 PolarHBondContact OH-OD1 3.32Å; K84-N88 VanDerWaalsContact O-CG 3.3Å; K84-N88 PolarHBondContact O-N 3.48Å; K84-N88 PolarHBondContact O-ND2 3.06Å; I85-N88 PolarHBondContact O-N 3.33Å; I85-N88 VanDerWaalsContact O-N 3.1Å; I86-N88 VanDerWaalsContact C-N 3.33Å; I86-N88 PolarHBondContact O-N 2.9Å; N88-V90 VanDerWaalsContact C-N 3.33Å; N88-V90 PolarHBondContact O-N 3.48Å; N88-I91 PolarHBondContact O-N 3.29Å; N88-E92 WeakPolarHBondContact O-CG 3.3Å; N88-E92 PolarHBondContact O-N 2.98Å
89E95.9Very high93.6Very high100 Ų10058.7 Ų58.747%0.46729%0.291SS..Hα-helixtrans-61-41.1175.9-71.8179.4-178.200112.2I85 I86 E92 R93I85-E89 HydrophobicContact CG2-CG 4.44Å; I85-E89 WeakPolarHBondContact O-CG 3.34Å; I85-E89 PolarHBondContact O-N 3.31Å; I86-E89 PolarHBondContact O-N 2.97Å; E89-E92 PolarHBondContact O-N 2.75Å; E89-R93 WeakPolarHBondContact O-CB 3.34Å; E89-R93 PolarHBondContact O-N 3.39Å
90V95.2Very high93.7Very high6 Ų657.3 Ų57.34%0.03628%0.284CS..Hα-helixtrans-66.8-42.8175.8178.10000111I86 I87 N88 E92 R93 S94 D102 I103 E106I86-V90 VanDerWaalsContact O-CG2 3.31Å; I86-V90 WeakPolarHBondContact O-CG2 3.46Å; I86-V90 PolarHBondContact O-N 3.49Å; I87-V90 PolarHBondContact O-N 3.03Å; N88-V90 VanDerWaalsContact C-N 3.33Å; N88-V90 PolarHBondContact O-N 3.48Å; V90-E92 VanDerWaalsContact C-N 3.32Å; V90-E92 PolarHBondContact O-N 2.88Å; V90-R93 PolarHBondContact O-N 3.42Å; V90-S94 WeakPolarHBondContact O-CB 3.26Å; V90-S94 PolarHBondContact O-N 3.35Å; V90-D102 HydrophobicContact CG1-CB 3.63Å; V90-I103 HydrophobicContact CB-CG1 4.09Å; V90-I103 HydrophobicContact CG1-CG1 3.64Å; V90-E106 HydrophobicContact CG2-CB 4.15Å; V90-E106 HydrophobicContact CG2-CG 3.73Å
91I94.4Very high93.7Very high16 Ų1660.4 Ų60.48%0.08230%0.297CS..Hα-helixtrans-59.7-42.9177.1-72.9169.4000111.4A64 Y67 I87 N88 L95 M99 I103A64-I91 HydrophobicContact CB-CG2 3.43Å; A64-I91 VanDerWaalsContact CB-CG2 3.43Å; Y67-I91 HydrophobicContact CD1-CD1 3.84Å; Y67-I91 HydrophobicContact CE1-CD1 3.69Å; I87-I91 HydrophobicContact CG2-CD1 3.69Å; I87-I91 HydrophobicContact CG2-CG1 4.34Å; I87-I91 VanDerWaalsContact O-CG1 3.22Å; I87-I91 WeakPolarHBondContact O-CG1 3.36Å; I87-I91 PolarHBondContact O-N 2.82Å; N88-I91 PolarHBondContact O-N 3.29Å; I91-L95 PolarHBondContact O-N 3.17Å; I91-M99 HydrophobicContact CB-SD 4.21Å; I91-M99 HydrophobicContact CG1-SD 3.82Å; I91-M99 HydrophobicContact CG2-SD 4.29Å; I91-I103 HydrophobicContact CD1-CD1 4.37Å; I91-I103 HydrophobicContact CG1-CD1 3.81Å
92E93.8Very high93.7Very high160 Ų16060.7 Ų60.775%0.74829%0.294SS*.Hα-helixtrans-67.7-39.4178.4-73.4-178178.400112N88 E89 V90N88-E92 WeakPolarHBondContact O-CG 3.3Å; N88-E92 PolarHBondContact O-N 2.98Å; E89-E92 PolarHBondContact O-N 2.75Å; V90-E92 VanDerWaalsContact C-N 3.32Å; V90-E92 PolarHBondContact O-N 2.88Å
93R93.7Very high93.7Very high178 Ų17857.7 Ų57.767%0.67228%0.278SS*.Hα-helixtrans-70.1-40179.5-173.2-175.9-60.1149.45.5112.9E89 V90E89-R93 WeakPolarHBondContact O-CB 3.34Å; E89-R93 PolarHBondContact O-N 3.39Å; V90-R93 PolarHBondContact O-N 3.42Å
94S91.2Very high93.7Very high15 Ų1557.7 Ų57.711%0.10528%0.278CS..THydrogen-bonded Turntrans-101.114.8-172.5-57.50000113.1V90 G96 F97 D102V90-S94 WeakPolarHBondContact O-CB 3.26Å; V90-S94 PolarHBondContact O-N 3.35Å; S94-G96 PolarHBondContact O-N 2.95Å; S94-F97 CarbonylContact O-C 3.58Å; S94-F97 PolarHBondContact O-N 2.98Å; S94-D102 PolarHBondContact OG-OD2 3.46Å
95L91.3Very high93.7Very high95 Ų9555.2 Ų55.250%0.49727%0.27SS..THydrogen-bonded Turntrans-61.1127.2178.9-169.172.3000111.2I91I91-L95 PolarHBondContact O-N 3.17Å
96G88.1Confident93.6Very high19 Ų1954.2 Ų54.220%0.19626%0.264CS..THydrogen-bonded Turntrans93.3-8.3-17500000114.1P61 S94P61-G96 PolarHBondContact O-N 2.97Å; S94-G96 PolarHBondContact O-N 2.95Å
97F91.1Very high93.6Very high136 Ų13652.8 Ų52.860%0.59626%0.256SS*.SBendtrans-120.1156.2172.1-59.7-95.1000110.7M1 P61 S94 M99M1-F97 HydrophobicContact CE-CB 3.83Å; M1-F97 HydrophobicContact CE-CD1 3.27Å; M1-F97 HydrophobicContact CE-CE1 4.12Å; M1-F97 HydrophobicContact CE-CG 3.88Å; P61-F97 VanDerWaalsContact CB-C 3.42Å; P61-F97 WeakPolarHBondContact CB-O 3.24Å; S94-F97 CarbonylContact O-C 3.58Å; S94-F97 PolarHBondContact O-N 2.98Å; F97-M99 PolarHBondContact O-N 3.22Å
98V91.6Very high93.5Very high46 Ų4654.5 Ų54.528%0.27926%0.264SS..  trans-54.4134.3167.7-74.60000109.2M1 E9 Y60M1-V98 HydrophobicContact SD-CB 4.4Å; M1-V98 HydrophobicContact SD-CG1 3.86Å; M1-V98 HydrophobicContact SD-CG2 4.31Å; M1-V98 PolarHBondContact SD-N 2.86Å; M1-V98 VanDerWaalsContact SD-N 3.36Å; E9-V98 HydrophobicContact CB-CB 4.14Å; E9-V98 HydrophobicContact CB-CG1 3.84Å; E9-V98 VanDerWaalsContact CD-CB 3.4Å; E9-V98 HydrophobicContact CG-CB 4.12Å; E9-V98 HydrophobicContact CG-CG1 4.31Å; E9-V98 WeakPolarHBondContact OE1-CB 3.34Å; E9-V98 WeakPolarHBondContact OE2-CB 3.43Å; E9-V98 WeakPolarHBondContact OE2-CG1 3.44Å; Y60-V98 HydrophobicContact CE1-CG1 4.46Å
99M93.1Very high93.4Very high1 Ų156.3 Ų56.31%0.00527%0.271CS..  trans-142-7.3-164.868.6175.2103.600113.9E9 Y60 P65 I91 F97 F101 D102 I103E9-M99 PolarHBondContact OE1-N 3.49Å; Y60-M99 HydrophobicContact CD2-CE 4.39Å; Y60-M99 HydrophobicContact CE2-CE 3.83Å; Y60-M99 HydrophobicContact CE2-CG 3.96Å; Y60-M99 HydrophobicContact CE2-SD 4.47Å; Y60-M99 PolarHBondContact OH-N 3.32Å; P65-M99 VanDerWaalsContact CD-SD 3.54Å; P65-M99 HydrophobicContact CG-SD 4.14Å; I91-M99 HydrophobicContact CB-SD 4.21Å; I91-M99 HydrophobicContact CG1-SD 3.82Å; I91-M99 HydrophobicContact CG2-SD 4.29Å; F97-M99 PolarHBondContact O-N 3.22Å; M99-F101 VanDerWaalsContact C-N 3.34Å; M99-F101 PolarHBondContact O-N 3.38Å; M99-D102 PolarHBondContact O-N 2.87Å; M99-I103 HydrophobicContact CG-CD1 4.02Å; M99-I103 WeakPolarHBondContact O-CD1 3.28Å; M99-I103 WeakPolarHBondContact O-CG1 3.42Å; M99-I103 PolarHBondContact O-N 3.47Å; M99-I103 HydrophobicContact SD-CD1 4.21Å
100L93.2Very high93.2Very high1 Ų153.4 Ų53.41%0.00526%0.256CS..Hα-helixtrans-65-41-177.1-69.6174.4000111E9 L10 L13 I32 F54 L56 Y60 P65 I103 L104E9-L100 WeakPolarHBondContact OE1-CA 3.41Å; E9-L100 VanDerWaalsContact OE1-CB 3.3Å; E9-L100 WeakPolarHBondContact OE1-CB 3.47Å; E9-L100 PolarHBondContact OE1-N 2.97Å; L10-L100 HydrophobicContact CD2-CD1 3.76Å; L13-L100 HydrophobicContact CD1-CB 3.55Å; L13-L100 HydrophobicContact CD1-CD1 3.84Å; L13-L100 HydrophobicContact CD1-CG 4.38Å; I32-L100 HydrophobicContact CD1-CD1 4.23Å; F54-L100 HydrophobicContact CB-CD2 4.03Å; F54-L100 HydrophobicContact CD1-CD2 3.59Å; F54-L100 HydrophobicContact CD2-CD2 4Å; F54-L100 HydrophobicContact CE1-CD2 3.98Å; F54-L100 HydrophobicContact CE2-CD2 4.35Å; F54-L100 HydrophobicContact CG-CD2 3.59Å; F54-L100 HydrophobicContact CZ-CD2 4.33Å; L56-L100 HydrophobicContact CD1-CD1 4.36Å; L56-L100 HydrophobicContact CD2-CD1 4.08Å; L56-L100 HydrophobicContact CD2-CD2 4.38Å; L56-L100 HydrophobicContact CD2-CG 4.47Å; Y60-L100 PolarHBondContact OH-N 3.46Å; P65-L100 HydrophobicContact CG-CD2 4.37Å; L100-I103 PolarHBondContact O-N 2.97Å; L100-L104 WeakPolarHBondContact O-CB 3.46Å; L100-L104 WeakPolarHBondContact O-CG 3.36Å; L100-L104 PolarHBondContact O-N 3.38Å
101F94.2Very high93.1Very high89 Ų8953.1 Ų53.139%0.3926%0.255SS..Hα-helixtrans-62.3-44.3176.6179.5-100.7000112.3L13 I16 M99 I103 L104 T105L13-F101 HydrophobicContact CD2-CB 4.06Å; L13-F101 HydrophobicContact CD2-CD2 4.06Å; I16-F101 HydrophobicContact CD1-CD2 3.96Å; I16-F101 HydrophobicContact CD1-CE2 3.81Å; M99-F101 VanDerWaalsContact C-N 3.34Å; M99-F101 PolarHBondContact O-N 3.38Å; F101-I103 VanDerWaalsContact C-N 3.34Å; F101-I103 PolarHBondContact O-N 2.7Å; F101-L104 PolarHBondContact O-N 3.01Å; F101-T105 WeakPolarHBondContact O-CB 3.41Å; F101-T105 PolarHBondContact O-N 3.49Å; F101-T105 PolarHBondContact O-OG1 3.49Å
102D94.3Very high92.9Very high65 Ų6554.5 Ų54.535%0.34826%0.262SS..Hα-helixtrans-59.9-46.8177-65.1-14.1000110.6V90 S94 M99 L104 T105 E106V90-D102 HydrophobicContact CG1-CB 3.63Å; S94-D102 PolarHBondContact OG-OD2 3.46Å; M99-D102 PolarHBondContact O-N 2.87Å; D102-L104 PolarHBondContact O-N 3.36Å; D102-T105 PolarHBondContact O-N 3.42Å; D102-E106 WeakPolarHBondContact O-CB 3.49Å; D102-E106 WeakPolarHBondContact O-CG 3.26Å; D102-E106 PolarHBondContact O-N 2.92Å
103I95.3Very high92.8Very high1 Ų149.5 Ų49.51%0.00525%0.245CC..Hα-helixtrans-58.9-49.3177.4-67.8165.3000110.4F54 P65 I87 V90 I91 M99 L100 F101 T105 E106 V107F54-I103 HydrophobicContact CE1-CD1 4.26Å; F54-I103 HydrophobicContact CE1-CG2 3.94Å; F54-I103 HydrophobicContact CZ-CB 4.48Å; F54-I103 HydrophobicContact CZ-CG2 3.78Å; P65-I103 HydrophobicContact CG-CD1 4.45Å; I87-I103 HydrophobicContact CB-CG2 4.47Å; I87-I103 HydrophobicContact CG1-CG2 3.91Å; I87-I103 HydrophobicContact CG2-CD1 4.49Å; I87-I103 HydrophobicContact CG2-CG2 4.06Å; V90-I103 HydrophobicContact CB-CG1 4.09Å; V90-I103 HydrophobicContact CG1-CG1 3.64Å; I91-I103 HydrophobicContact CD1-CD1 4.37Å; I91-I103 HydrophobicContact CG1-CD1 3.81Å; M99-I103 HydrophobicContact CG-CD1 4.02Å; M99-I103 WeakPolarHBondContact O-CD1 3.28Å; M99-I103 WeakPolarHBondContact O-CG1 3.42Å; M99-I103 PolarHBondContact O-N 3.47Å; M99-I103 HydrophobicContact SD-CD1 4.21Å; L100-I103 PolarHBondContact O-N 2.97Å; F101-I103 VanDerWaalsContact C-N 3.34Å; F101-I103 PolarHBondContact O-N 2.7Å; I103-T105 VanDerWaalsContact C-N 3.29Å; I103-T105 PolarHBondContact O-N 3.34Å; I103-E106 PolarHBondContact O-N 2.92Å; I103-V107 HydrophobicContact CG2-CG2 4.34Å; I103-V107 WeakPolarHBondContact O-CB 3.38Å; I103-V107 VanDerWaalsContact O-CG2 3.25Å; I103-V107 WeakPolarHBondContact O-CG2 3.39Å; I103-V107 PolarHBondContact O-N 2.98Å
104L94.8Very high92.6Very high1 Ų141.3 Ų41.31%0.00521%0.214CC..Hα-helixtrans-63-38.4-178.6-69.4168.5000111.8L13 Y17 V34 L36 L52 F54 L100 F101 D102 Q108L13-L104 HydrophobicContact CD1-CD1 4.38Å; L13-L104 HydrophobicContact CD2-CD1 3.68Å; Y17-L104 HydrophobicContact CD2-CD1 4.2Å; Y17-L104 HydrophobicContact CE2-CB 4.37Å; Y17-L104 HydrophobicContact CE2-CD1 3.52Å; Y17-L104 VanDerWaalsContact OH-CB 3.25Å; Y17-L104 WeakPolarHBondContact OH-CB 3.47Å; V34-L104 HydrophobicContact CB-CD2 3.82Å; V34-L104 HydrophobicContact CG1-CD1 4.28Å; V34-L104 HydrophobicContact CG1-CD2 3.82Å; V34-L104 HydrophobicContact CG2-CD1 4.09Å; V34-L104 HydrophobicContact CG2-CD2 4.14Å; L36-L104 HydrophobicContact CD1-CD2 3.99Å; L36-L104 HydrophobicContact CD2-CD2 4.21Å; L36-L104 HydrophobicContact CG-CD2 4.33Å; L52-L104 HydrophobicContact CD1-CD2 3.84Å; F54-L104 HydrophobicContact CE2-CD2 3.86Å; F54-L104 HydrophobicContact CE2-CG 4.33Å; F54-L104 HydrophobicContact CZ-CD2 4.25Å; L100-L104 WeakPolarHBondContact O-CB 3.46Å; L100-L104 WeakPolarHBondContact O-CG 3.36Å; L100-L104 PolarHBondContact O-N 3.38Å; F101-L104 PolarHBondContact O-N 3.01Å; D102-L104 PolarHBondContact O-N 3.36Å; L104-Q108 VanDerWaalsContact O-CB 3.23Å; L104-Q108 WeakPolarHBondContact O-CB 3.01Å; L104-Q108 PolarHBondContact O-N 3.16Å
105T94.1Very high92.5Very high40 Ų4040.7 Ų40.725%0.24521%0.21CC..Hα-helixtrans-66-47.9178.6-60.10000111.5F101 D102 I103 Q108 Q109F101-T105 WeakPolarHBondContact O-CB 3.41Å; F101-T105 PolarHBondContact O-N 3.49Å; F101-T105 PolarHBondContact O-OG1 3.49Å; D102-T105 PolarHBondContact O-N 3.42Å; I103-T105 VanDerWaalsContact C-N 3.29Å; I103-T105 PolarHBondContact O-N 3.34Å; T105-Q108 WeakPolarHBondContact O-CB 3.34Å; T105-Q108 PolarHBondContact O-N 3.22Å; T105-Q109 WeakPolarHBondContact O-CG 3.49Å; T105-Q109 PolarHBondContact O-N 2.89Å
106E94.8Very high92.3Very high70 Ų7038.2 Ų38.233%0.32720%0.204SC..Hα-helixtrans-65-40.5178.9-70.1-68.9149.600111.8I86 V90 D102 I103 Q109 K110I86-E106 HydrophobicContact CG2-CB 3.67Å; V90-E106 HydrophobicContact CG2-CB 4.15Å; V90-E106 HydrophobicContact CG2-CG 3.73Å; D102-E106 WeakPolarHBondContact O-CB 3.49Å; D102-E106 WeakPolarHBondContact O-CG 3.26Å; D102-E106 PolarHBondContact O-N 2.92Å; I103-E106 PolarHBondContact O-N 2.92Å; E106-Q109 PolarHBondContact O-N 2.95Å; E106-K110 PolarHBondContact O-N 3.3Å; E106-K110 VanDerWaalsContact O-N 3.08Å
107V94.6Very high92.4Very high1 Ų143.3 Ų43.31%0.00622%0.22CC..Hα-helixtrans-65.6-41.9174.4177.90000111L36 L52 I83 I87 I103 Q109 K110 L111L36-V107 HydrophobicContact CD1-CB 4.03Å; L36-V107 HydrophobicContact CD1-CG1 3.76Å; L52-V107 HydrophobicContact CD1-CB 4.18Å; L52-V107 HydrophobicContact CD1-CG1 4.04Å; L52-V107 HydrophobicContact CD1-CG2 4.14Å; I83-V107 HydrophobicContact CG2-CG1 4.06Å; I83-V107 HydrophobicContact CG2-CG2 4.01Å; I87-V107 HydrophobicContact CD1-CG2 3.99Å; I87-V107 HydrophobicContact CG1-CG2 3.67Å; I103-V107 HydrophobicContact CG2-CG2 4.34Å; I103-V107 WeakPolarHBondContact O-CB 3.38Å; I103-V107 VanDerWaalsContact O-CG2 3.25Å; I103-V107 WeakPolarHBondContact O-CG2 3.39Å; I103-V107 PolarHBondContact O-N 2.98Å; V107-Q109 PolarHBondContact O-N 3.21Å; V107-K110 PolarHBondContact O-N 3.41Å; V107-L111 HydrophobicContact CG1-CD1 4.2Å; V107-L111 HydrophobicContact CG1-CG 4.27Å; V107-L111 WeakPolarHBondContact O-CG 3.23Å; V107-L111 PolarHBondContact O-N 3.41Å
108Q93.1Very high92.2Very high36 Ų3638 Ų3817%0.16820%0.198CC..Hα-helixtrans-58.4-47176.6-177.264.14600111.3N37 L104 T105 K110 L111 D112N37-Q108 PolarHBondContact O-NE2 3.33Å; L104-Q108 VanDerWaalsContact O-CB 3.23Å; L104-Q108 WeakPolarHBondContact O-CB 3.01Å; L104-Q108 PolarHBondContact O-N 3.16Å; T105-Q108 WeakPolarHBondContact O-CB 3.34Å; T105-Q108 PolarHBondContact O-N 3.22Å; Q108-K110 VanDerWaalsContact C-N 3.31Å; Q108-K110 PolarHBondContact O-N 3.48Å; Q108-L111 WeakPolarHBondContact O-CB 3.3Å; Q108-L111 PolarHBondContact O-N 3.42Å; Q108-D112 PolarHBondContact NE2-OD1 3.05Å; Q108-D112 PolarHBondContact O-N 3.43Å
109Q93.4Very high91.9Very high107 Ų10738.3 Ų38.350%0.520%0.198SC..Hα-helixtrans-60-40.2176.6-70.2179.121.300112.4T105 E106 V107 D112 S113T105-Q109 WeakPolarHBondContact O-CG 3.49Å; T105-Q109 PolarHBondContact O-N 2.89Å; E106-Q109 PolarHBondContact O-N 2.95Å; V107-Q109 PolarHBondContact O-N 3.21Å; Q109-D112 PolarHBondContact O-N 2.95Å; Q109-S113 PolarHBondContact O-N 3.04Å
110K92.7Very high91.6Very high38 Ų3843 Ų4317%0.16522%0.222CC..Hα-helixtrans-65.1-42.5176.1-175.464.9176.2-159.80111.7D82 I83 I86 E106 V107 Q108 D112 S113 I114D82-K110 IonicContact OD2-NZ 3.47Å; D82-K110 PolarHBondContact OD2-NZ 3.39Å; I83-K110 HydrophobicContact CG1-CB 4.5Å; I83-K110 HydrophobicContact CG1-CG 3.85Å; I86-K110 HydrophobicContact CD1-CB 3.95Å; I86-K110 HydrophobicContact CD1-CD 3.78Å; I86-K110 HydrophobicContact CD1-CG 3.78Å; E106-K110 PolarHBondContact O-N 3.3Å; E106-K110 VanDerWaalsContact O-N 3.08Å; V107-K110 PolarHBondContact O-N 3.41Å; Q108-K110 VanDerWaalsContact C-N 3.31Å; Q108-K110 PolarHBondContact O-N 3.48Å; K110-D112 VanDerWaalsContact C-N 3.34Å; K110-S113 WeakPolarHBondContact O-CB 3.38Å; K110-S113 PolarHBondContact O-N 3.33Å; K110-I114 HydrophobicContact CD-CD1 4.46Å; K110-I114 HydrophobicContact CG-CD1 4.07Å; K110-I114 WeakPolarHBondContact O-CD1 3.49Å; K110-I114 VanDerWaalsContact O-CG1 3.3Å; K110-I114 WeakPolarHBondContact O-CG1 3.41Å; K110-I114 PolarHBondContact O-N 3.36Å
111L92.3Very high91.3Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-60.9-43.1175.5-67.3172.1000111.6L36 V48 L75 I83 V107 Q108 S113 I114 C115L36-L111 HydrophobicContact CB-CD1 3.54Å; L36-L111 HydrophobicContact CD1-CD1 4.31Å; V48-L111 HydrophobicContact CG1-CD2 3.93Å; L75-L111 HydrophobicContact CD1-CD2 3.98Å; L75-L111 HydrophobicContact CD2-CD2 3.9Å; L75-L111 HydrophobicContact CG-CD2 4.47Å; I83-L111 HydrophobicContact CD1-CD2 4.2Å; V107-L111 HydrophobicContact CG1-CD1 4.2Å; V107-L111 HydrophobicContact CG1-CG 4.27Å; V107-L111 WeakPolarHBondContact O-CG 3.23Å; V107-L111 PolarHBondContact O-N 3.41Å; Q108-L111 WeakPolarHBondContact O-CB 3.3Å; Q108-L111 PolarHBondContact O-N 3.42Å; L111-S113 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 2.76Å; L111-I114 PolarHBondContact O-N 3.05Å; L111-C115 WeakPolarHBondContact O-CB 3.49Å; L111-C115 PolarHBondContact O-N 3.46Å
112D91.2Very high90.9Very high45 Ų4548.7 Ų48.724%0.24124%0.243CC..Hα-helixtrans-63-41.8177.9-63.8-17000111G38 Q39 Q108 Q109 K110 I114 C115 A116G38-D112 WeakPolarHBondContact CA-OD1 3.5Å; Q39-D112 PolarHBondContact N-OD1 3.46Å; Q108-D112 PolarHBondContact NE2-OD1 3.05Å; Q108-D112 PolarHBondContact O-N 3.43Å; Q109-D112 PolarHBondContact O-N 2.95Å; K110-D112 VanDerWaalsContact C-N 3.34Å; D112-I114 PolarHBondContact O-N 2.94Å; D112-C115 PolarHBondContact O-N 3.04Å; D112-A116 WeakPolarHBondContact O-CB 3.39Å; D112-A116 PolarHBondContact O-N 3.18Å
113S91.1Very high90.6Very high56 Ų5654.6 Ų54.639%0.39226%0.261SS..Hα-helixtrans-61.3-43.4174.7-173.60000112.5Q109 K110 L111 A116 K117Q109-S113 PolarHBondContact O-N 3.04Å; K110-S113 WeakPolarHBondContact O-CB 3.38Å; K110-S113 PolarHBondContact O-N 3.33Å; L111-S113 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 2.76Å; S113-A116 PolarHBondContact O-N 3.35Å; S113-K117 WeakPolarHBondContact O-CG 3.47Å; S113-K117 PolarHBondContact O-N 2.9Å
114I89.8Confident90.3Very high5 Ų558.5 Ų58.53%0.02628%0.282CS..Hα-helixtrans-64.9-43.8177.1-66.6162.1000110.1V48 L75 D79 K110 L111 D112 A116 K117 I118V48-I114 HydrophobicContact CG1-CG2 4.47Å; V48-I114 HydrophobicContact CG2-CG2 4.43Å; L75-I114 HydrophobicContact CD2-CD1 3.61Å; L75-I114 HydrophobicContact CD2-CG2 4.24Å; D79-I114 HydrophobicContact CB-CD1 3.72Å; K110-I114 HydrophobicContact CD-CD1 4.46Å; K110-I114 HydrophobicContact CG-CD1 4.07Å; K110-I114 WeakPolarHBondContact O-CD1 3.49Å; K110-I114 VanDerWaalsContact O-CG1 3.3Å; K110-I114 WeakPolarHBondContact O-CG1 3.41Å; K110-I114 PolarHBondContact O-N 3.36Å; L111-I114 PolarHBondContact O-N 3.05Å; D112-I114 PolarHBondContact O-N 2.94Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-A116 PolarHBondContact O-N 3.42Å; I114-K117 PolarHBondContact O-N 3.05Å; I114-I118 HydrophobicContact CG2-CD1 3.91Å; I114-I118 HydrophobicContact CG2-CG1 4.5Å; I114-I118 WeakPolarHBondContact O-CG1 3.49Å; I114-I118 PolarHBondContact O-N 2.96Å
115C88.6Confident90Very high2 Ų262.5 Ų62.51%0.01430%0.3CS..Hα-helixtrans-60.8-43.1178-153.50000111.5A40 V48 L111 D112 K117 I118 L119A40-C115 HydrophobicContact CB-CB 4.2Å; A40-C115 WeakPolarHBondContact CB-SG 3.31Å; V48-C115 HydrophobicContact CB-CB 4.35Å; V48-C115 HydrophobicContact CG2-CB 3.95Å; L111-C115 WeakPolarHBondContact O-CB 3.49Å; L111-C115 PolarHBondContact O-N 3.46Å; D112-C115 PolarHBondContact O-N 3.04Å; C115-K117 PolarHBondContact O-N 3.28Å; C115-I118 PolarHBondContact O-N 2.79Å; C115-L119 PolarHBondContact O-N 2.93Å
116A87.9Confident89.8Confident44 Ų4463.5 Ų63.536%0.36431%0.313SS..Hα-helixtrans-61-42174.400000112.8D112 S113 I114 L119 I120D112-A116 WeakPolarHBondContact O-CB 3.39Å; D112-A116 PolarHBondContact O-N 3.18Å; S113-A116 PolarHBondContact O-N 3.35Å; I114-A116 VanDerWaalsContact C-N 3.33Å; I114-A116 PolarHBondContact O-N 3.42Å; A116-L119 PolarHBondContact O-N 3.42Å; A116-I120 WeakPolarHBondContact O-CD1 3.44Å; A116-I120 VanDerWaalsContact O-CG1 3.26Å; A116-I120 WeakPolarHBondContact O-CG1 3.28Å; A116-I120 PolarHBondContact O-N 3.23Å
117K88.4Confident89.5Confident125 Ų12567.6 Ų67.654%0.54333%0.329SS..Hα-helixtrans-62.1-43.6175.8-71.6175.4-174.1-179.70111.9S113 I114 C115 I120 R121S113-K117 WeakPolarHBondContact O-CG 3.47Å; S113-K117 PolarHBondContact O-N 2.9Å; I114-K117 PolarHBondContact O-N 3.05Å; C115-K117 PolarHBondContact O-N 3.28Å; K117-I120 PolarHBondContact O-N 2.84Å; K117-R121 PolarHBondContact O-N 3.45Å
118I86.7Confident89.3Confident25 Ų2573.9 Ų73.913%0.12836%0.359CS..Hα-helixtrans-62.6-44.8177.4-67.1168.9000110.3T46 V48 N74 I114 C115 I120 R121 Q122T46-I118 HydrophobicContact CG2-CG2 4.31Å; V48-I118 HydrophobicContact CG2-CD1 3.69Å; N74-I118 HydrophobicContact CB-CD1 4.47Å; I114-I118 HydrophobicContact CG2-CD1 3.91Å; I114-I118 HydrophobicContact CG2-CG1 4.5Å; I114-I118 WeakPolarHBondContact O-CG1 3.49Å; I114-I118 PolarHBondContact O-N 2.96Å; C115-I118 PolarHBondContact O-N 2.79Å; I118-I120 PolarHBondContact O-N 3.38Å; I118-R121 PolarHBondContact O-N 2.89Å; I118-Q122 HydrophobicContact CG2-CG 4.45Å; I118-Q122 WeakPolarHBondContact O-CG 3.32Å; I118-Q122 PolarHBondContact O-N 2.88Å
119L85.6Confident89.2Confident53 Ų5379.2 Ų79.228%0.27738%0.381SS..Hα-helixtrans-58.2-48.1176.9177.750.1000112L44 C115 A116 R121 Q122 R123L44-L119 HydrophobicContact CD1-CB 3.78Å; L44-L119 HydrophobicContact CD1-CD1 3.61Å; L44-L119 HydrophobicContact CD1-CD2 3.9Å; L44-L119 HydrophobicContact CD1-CG 3.89Å; L44-L119 HydrophobicContact CD2-CB 4.42Å; L44-L119 HydrophobicContact CD2-CD1 3.71Å; L44-L119 HydrophobicContact CG-CD1 3.78Å; C115-L119 PolarHBondContact O-N 2.93Å; A116-L119 PolarHBondContact O-N 3.42Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 3.28Å; L119-Q122 PolarHBondContact O-N 2.99Å; L119-R123 WeakPolarHBondContact O-CB 3.3Å; L119-R123 PolarHBondContact O-N 3.3Å
120I87Confident89Confident99 Ų9983.5 Ų83.551%0.50839%0.393SS..Hα-helixtrans-61-43.4179.8-69164.2000110.3A116 K117 I118 R123 N124A116-I120 WeakPolarHBondContact O-CD1 3.44Å; A116-I120 VanDerWaalsContact O-CG1 3.26Å; A116-I120 WeakPolarHBondContact O-CG1 3.28Å; A116-I120 PolarHBondContact O-N 3.23Å; K117-I120 PolarHBondContact O-N 2.84Å; I118-I120 PolarHBondContact O-N 3.38Å; I120-R123 PolarHBondContact O-N 3.18Å; I120-N124 WeakPolarHBondContact O-CB 3.36Å; I120-N124 VanDerWaalsContact O-CG 3.23Å; I120-N124 PolarHBondContact O-N 3.49Å; I120-N124 PolarHBondContact O-ND2 3.34Å
121R88Confident88.9Confident148 Ų14889.1 Ų89.156%0.55842%0.417SS*.Hα-helixtrans-60.9-50.2176.7-175.8178.266.9-179.80.5111.5K117 I118 L119 R123 N124 E125K117-R121 PolarHBondContact O-N 3.45Å; I118-R121 PolarHBondContact O-N 2.89Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 3.28Å; R121-R123 VanDerWaalsContact C-N 3.32Å; R121-R123 PolarHBondContact O-N 2.94Å; R121-N124 PolarHBondContact O-N 3.32Å; R121-E125 VanDerWaalsContact CG-OE1 3.28Å; R121-E125 WeakPolarHBondContact CG-OE1 3.21Å; R121-E125 IonicContact NE-OE1 3.34Å; R121-E125 WeakPolarHBondContact O-CG 3.36Å; R121-E125 PolarHBondContact O-N 3.37Å
122Q85.9Confident88.8Confident61 Ų6191.9 Ų91.929%0.28544%0.44SS..Hα-helixtrans-60.8-41.1178.9-71.6-1755.200112.1T46 I118 L119 E125 A126T46-Q122 PolarHBondContact OG1-NE2 3.36Å; I118-Q122 HydrophobicContact CG2-CG 4.45Å; I118-Q122 WeakPolarHBondContact O-CG 3.32Å; I118-Q122 PolarHBondContact O-N 2.88Å; L119-Q122 PolarHBondContact O-N 2.99Å; Q122-E125 PolarHBondContact O-N 2.9Å; Q122-A126 VanDerWaalsContact O-CB 3.3Å; Q122-A126 WeakPolarHBondContact O-CB 3.44Å; Q122-A126 PolarHBondContact O-N 2.8Å
123R87.3Confident88.5Confident189 Ų18995.6 Ų95.671%0.71346%0.458SS*.Hα-helixtrans-63.8-41.4176.7-175.8176.4-178.9145.50.9112.2L119 I120 R121 K127L119-R123 WeakPolarHBondContact O-CB 3.3Å; L119-R123 PolarHBondContact O-N 3.3Å; I120-R123 PolarHBondContact O-N 3.18Å; R121-R123 VanDerWaalsContact C-N 3.32Å; R121-R123 PolarHBondContact O-N 2.94Å; R123-K127 WeakPolarHBondContact O-CB 3.43Å; R123-K127 PolarHBondContact O-N 3Å
124N88.8Confident88.2Confident84 Ų8497.9 Ų97.945%0.44946%0.462SS..Hα-helixtrans-66.8-47177.8-72.5-16.4000111.2I120 R121 A126 K127 E128I120-N124 WeakPolarHBondContact O-CB 3.36Å; I120-N124 VanDerWaalsContact O-CG 3.23Å; I120-N124 PolarHBondContact O-N 3.49Å; I120-N124 PolarHBondContact O-ND2 3.34Å; R121-N124 PolarHBondContact O-N 3.32Å; N124-A126 VanDerWaalsContact C-N 3.34Å; N124-A126 PolarHBondContact O-N 3.48Å; N124-K127 WeakPolarHBondContact O-CB 3.42Å; N124-K127 PolarHBondContact O-N 3.41Å; N124-K127 VanDerWaalsContact O-N 3.16Å; N124-E128 WeakPolarHBondContact O-CG 3.37Å; N124-E128 PolarHBondContact O-N 3Å
125E88.8Confident88Confident85 Ų85103 Ų10340%0.39749%0.489SS..Hα-helixtrans-61-41.8176.7-71.8175.1-162.300112R121 Q122 K127 E128 K129R121-E125 VanDerWaalsContact CG-OE1 3.28Å; R121-E125 WeakPolarHBondContact CG-OE1 3.21Å; R121-E125 IonicContact NE-OE1 3.34Å; R121-E125 WeakPolarHBondContact O-CG 3.36Å; R121-E125 PolarHBondContact O-N 3.37Å; Q122-E125 PolarHBondContact O-N 2.9Å; E125-K127 VanDerWaalsContact C-N 3.34Å; E125-K127 PolarHBondContact O-N 3.03Å; E125-E128 PolarHBondContact O-N 2.76Å; E125-K129 WeakPolarHBondContact O-CB 3.19Å; E125-K129 WeakPolarHBondContact O-CG 3.49Å; E125-K129 PolarHBondContact O-N 3.01Å
126A89.2Confident87.8Confident61 Ų61108.2 Ų108.250%0.50451%0.513SS..Hα-helixtrans-63.7-40.4175.800000111.9Q122 N124 R130Q122-A126 VanDerWaalsContact O-CB 3.3Å; Q122-A126 WeakPolarHBondContact O-CB 3.44Å; Q122-A126 PolarHBondContact O-N 2.8Å; N124-A126 VanDerWaalsContact C-N 3.34Å; N124-A126 PolarHBondContact O-N 3.48Å; A126-R130 WeakPolarHBondContact O-CB 3.39Å; A126-R130 PolarHBondContact O-N 3.31Å
127K89.7Confident87.5Confident156 Ų156112 Ų11268%0.67852%0.523SS*.Hα-helixtrans-65.4-41.7176-174.3-177.7179.4-175.80111.6R123 N124 E125 R130 K131R123-K127 WeakPolarHBondContact O-CB 3.43Å; R123-K127 PolarHBondContact O-N 3Å; N124-K127 WeakPolarHBondContact O-CB 3.42Å; N124-K127 PolarHBondContact O-N 3.41Å; N124-K127 VanDerWaalsContact O-N 3.16Å; E125-K127 VanDerWaalsContact C-N 3.34Å; E125-K127 PolarHBondContact O-N 3.03Å; K127-R130 PolarHBondContact O-N 3.45Å; K127-K131 WeakPolarHBondContact O-CB 3.38Å; K127-K131 PolarHBondContact O-N 3.02Å
128E89.8Confident87.1Confident133 Ų133109.7 Ų109.762%0.62152%0.515SS*.Hα-helixtrans-65.6-45.1177.5-73.8176.7161.100111.6N124 E125 R130 K131 A132N124-E128 WeakPolarHBondContact O-CG 3.37Å; N124-E128 PolarHBondContact O-N 3Å; E125-E128 PolarHBondContact O-N 2.76Å; E128-R130 PolarHBondContact O-N 3.28Å; E128-K131 PolarHBondContact O-N 2.91Å; E128-A132 WeakPolarHBondContact O-CB 3.46Å; E128-A132 PolarHBondContact O-N 3.21Å
129K91Very high86.8Confident147 Ų147111.5 Ų111.564%0.63953%0.533SS*.Hα-helixtrans-60-43.9174.3-73.9178.1-177.8178.40112.1E125 K131 A132 M133E125-K129 WeakPolarHBondContact O-CB 3.19Å; E125-K129 WeakPolarHBondContact O-CG 3.49Å; E125-K129 PolarHBondContact O-N 3.01Å; K129-K131 VanDerWaalsContact C-N 3.35Å; K129-K131 PolarHBondContact O-N 2.79Å; K129-A132 PolarHBondContact O-N 2.89Å; K129-M133 WeakPolarHBondContact O-CB 3.42Å; K129-M133 PolarHBondContact O-N 2.85Å
130R89.4Confident86.3Confident198 Ų198116.2 Ų116.275%0.74755%0.551SS**Hα-helixtrans-61.4-42.7175.7-176.8177.5175.3-175-0.5111.8A126 K127 E128 Q134A126-R130 WeakPolarHBondContact O-CB 3.39Å; A126-R130 PolarHBondContact O-N 3.31Å; K127-R130 PolarHBondContact O-N 3.45Å; E128-R130 PolarHBondContact O-N 3.28Å; R130-Q134 WeakPolarHBondContact O-CB 3.31Å; R130-Q134 PolarHBondContact O-N 2.89Å
131K90Very high85.4Confident155 Ų155120.4 Ų120.467%0.67457%0.566SS**Hα-helixtrans-66.6-39.2177.5-172.6-178.4177.6-173.10112K127 E128 K129 Q134 L135K127-K131 WeakPolarHBondContact O-CB 3.38Å; K127-K131 PolarHBondContact O-N 3.02Å; E128-K131 PolarHBondContact O-N 2.91Å; K129-K131 VanDerWaalsContact C-N 3.35Å; K129-K131 PolarHBondContact O-N 2.79Å; K131-Q134 PolarHBondContact O-N 2.94Å; K131-L135 WeakPolarHBondContact O-CB 3.4Å; K131-L135 PolarHBondContact O-N 2.74Å
132A90.1Very high84.3Confident59 Ų59121.6 Ų121.649%0.48857%0.57SS.*Hα-helixtrans-64.8-44.117700000111.6E128 K129 L135 E136E128-A132 WeakPolarHBondContact O-CB 3.46Å; E128-A132 PolarHBondContact O-N 3.21Å; K129-A132 PolarHBondContact O-N 2.89Å; A132-L135 PolarHBondContact O-N 2.84Å; A132-E136 PolarHBondContact O-N 3.26Å
133M86.1Confident83.5Confident123 Ų123121.8 Ų121.861%0.60659%0.589SS**Hα-helixtrans-60.5-47175.2-173.6179.9-70.300111.5K129 L135 E136 E137K129-M133 WeakPolarHBondContact O-CB 3.42Å; K129-M133 PolarHBondContact O-N 2.85Å; M133-L135 VanDerWaalsContact C-N 3.33Å; M133-L135 PolarHBondContact O-N 3.24Å; M133-E136 PolarHBondContact O-N 2.86Å; M133-E137 WeakPolarHBondContact O-CG 3.21Å; M133-E137 PolarHBondContact O-N 2.94Å
134Q83.6Confident82.7Confident104 Ų104120.3 Ų120.349%0.48660%0.596SS.*Hα-helixtrans-60.8-40.6176.6-174.8173.825.800112.3R130 K131 E136 E137 E138R130-Q134 WeakPolarHBondContact O-CB 3.31Å; R130-Q134 PolarHBondContact O-N 2.89Å; K131-Q134 PolarHBondContact O-N 2.94Å; Q134-E136 VanDerWaalsContact C-N 3.34Å; Q134-E137 PolarHBondContact O-N 2.61Å; Q134-E138 WeakPolarHBondContact O-CB 3.25Å; Q134-E138 WeakPolarHBondContact O-CG 3.48Å; Q134-E138 PolarHBondContact O-N 2.9Å
135L85.6Confident81.9Confident113 Ų113127 Ų12759%0.59262%0.615SS**Hα-helixtrans-67.2-36.2177.2-17370.6000111.9K131 A132 M133 E138 A139K131-L135 WeakPolarHBondContact O-CB 3.4Å; K131-L135 PolarHBondContact O-N 2.74Å; A132-L135 PolarHBondContact O-N 2.84Å; M133-L135 VanDerWaalsContact C-N 3.33Å; M133-L135 PolarHBondContact O-N 3.24Å; L135-E138 PolarHBondContact O-N 3.4Å; L135-A139 VanDerWaalsContact O-CB 3.23Å; L135-A139 WeakPolarHBondContact O-CB 3.42Å; L135-A139 PolarHBondContact O-N 2.98Å
136E84.1Confident81.3Confident110 Ų110128 Ų12851%0.51463%0.626SS.*Hα-helixtrans-67.9-40.5176.2-164-172.5149.500111.4A132 M133 Q134 A139 K140A132-E136 PolarHBondContact O-N 3.26Å; M133-E136 PolarHBondContact O-N 2.86Å; Q134-E136 VanDerWaalsContact C-N 3.34Å; E136-A139 PolarHBondContact O-N 3.45Å; E136-K140 VanDerWaalsContact O-CG 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.25Å; E136-K140 PolarHBondContact O-N 2.99Å; E136-K140 WeakPolarHBondContact OE1-CE 3.49Å; E136-K140 IonicContact OE1-NZ 3.46Å; E136-K140 PolarHBondContact OE1-NZ 3.46Å
137E82.5Confident81Confident123 Ų123128.8 Ų128.858%0.57563%0.625SS**Hα-helixtrans-63.7-45.5172.1-69.6-179.313100111.7M133 Q134 A139 K140 F141M133-E137 WeakPolarHBondContact O-CG 3.21Å; M133-E137 PolarHBondContact O-N 2.94Å; Q134-E137 PolarHBondContact O-N 2.61Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 3.25Å; E137-K140 PolarHBondContact O-N 2.85Å; E137-F141 PolarHBondContact O-N 3.29Å; E137-F141 VanDerWaalsContact O-N 3.08Å
138E80.6Confident80.8Confident78 Ų78127 Ų12736%0.36463%0.626SS.*Hα-helixtrans-62.7-36.5174.4-76.3-177.5-158.300112.1Q134 L135 F141 R142Q134-E138 WeakPolarHBondContact O-CB 3.25Å; Q134-E138 WeakPolarHBondContact O-CG 3.48Å; Q134-E138 PolarHBondContact O-N 2.9Å; L135-E138 PolarHBondContact O-N 3.4Å; E138-F141 PolarHBondContact O-N 3.08Å; E138-R142 WeakPolarHBondContact O-CB 3.49Å; E138-R142 VanDerWaalsContact O-CG 3.25Å; E138-R142 WeakPolarHBondContact O-CG 3.21Å; E138-R142 PolarHBondContact O-N 3.27Å; E138-R142 IonicContact OE2-NH2 3.69Å
139A79.1Confident80.7Confident62 Ų62127.8 Ų127.851%0.51263%0.63SS.*Hα-helixtrans-68.7-37.3176.800000111.8L135 E136 E137 F141L135-A139 VanDerWaalsContact O-CB 3.23Å; L135-A139 WeakPolarHBondContact O-CB 3.42Å; L135-A139 PolarHBondContact O-N 2.98Å; E136-A139 PolarHBondContact O-N 3.45Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 3.25Å; A139-F141 VanDerWaalsContact C-N 3.3Å; A139-F141 PolarHBondContact O-N 2.96Å
140K75.9Confident80.4Confident152 Ų152123.2 Ų123.266%0.66162%0.616SS**Hα-helixtrans-65.7-31.9173.9-72.6166.2-175.3166.50112.4E136 E137E136-K140 VanDerWaalsContact O-CG 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.25Å; E136-K140 PolarHBondContact O-N 2.99Å; E136-K140 WeakPolarHBondContact OE1-CE 3.49Å; E136-K140 IonicContact OE1-NZ 3.46Å; E136-K140 PolarHBondContact OE1-NZ 3.46Å; E137-K140 PolarHBondContact O-N 2.85Å
141F67.2Low80.3Confident187 Ų187118.3 Ų118.382%0.8260%0.601SS**Hα-helixtrans-90.4-19-179.8-165.1-99.8000114.2E137 E138 A139 G143E137-F141 PolarHBondContact O-N 3.29Å; E137-F141 VanDerWaalsContact O-N 3.08Å; E138-F141 PolarHBondContact O-N 3.08Å; A139-F141 VanDerWaalsContact C-N 3.3Å; A139-F141 PolarHBondContact O-N 2.96Å; F141-G143 PolarHBondContact O-N 3.44Å
142R65Low80.3Confident173 Ų173115.4 Ų115.465%0.65359%0.592SS**  trans-71.195.7173.2-80.4176-164.8-75.8-3.1109.4E138E138-R142 WeakPolarHBondContact O-CB 3.49Å; E138-R142 VanDerWaalsContact O-CG 3.25Å; E138-R142 WeakPolarHBondContact O-CG 3.21Å; E138-R142 PolarHBondContact O-N 3.27Å; E138-R142 IonicContact OE2-NH2 3.69Å
143G70.9Confident80.3Confident66 Ų66118.3 Ų118.368%0.6860%0.596SS**PPolyproline II helixtrans-56.9148.4168.200000112F141 R145F141-G143 PolarHBondContact O-N 3.44Å; G143-R145 PolarHBondContact O-N 3.2Å
144D70.2Confident80.4Confident158 Ų158119 Ų11985%0.84559%0.592SS**PPolyproline II helixtrans-63126.5177.6-79.2-23.2000110.2V146D144-V146 PolarHBondContact O-N 3Å
145R71.7Confident80.8Confident225 Ų225116.4 Ų116.485%0.84958%0.581SS**PPolyproline II helixtrans-64.4126.6171.3-71.2-176.3175167.8-1.4108G143 T147G143-R145 PolarHBondContact O-N 3.2Å; R145-T147 PolarHBondContact O-N 3.45Å
146V75Confident81.1Confident105 Ų105115.2 Ų115.264%0.63658%0.579SS**  trans-60.1102.4171.4178.60000108.7D144 F151D144-V146 PolarHBondContact O-N 3Å; V146-F151 HydrophobicContact CG1-CB 3.63Å; V146-F151 HydrophobicContact CG1-CD2 3.9Å; V146-F151 HydrophobicContact CG1-CG 4.22Å
147T84.4Confident81.4Confident78 Ų78117.1 Ų117.148%0.47959%0.585SS.*  trans-80.3164.8169.763.60000109.6R145 E149 S150 F151R145-T147 PolarHBondContact O-N 3.45Å; T147-E149 PolarHBondContact O-N 2.9Å; T147-S150 PolarHBondContact O-N 2.9Å; T147-S150 VanDerWaalsContact OG1-CB 3.26Å; T147-S150 WeakPolarHBondContact OG1-CB 3.45Å; T147-S150 PolarHBondContact OG1-N 2.89Å; T147-F151 VanDerWaalsContact O-CB 3.24Å; T147-F151 WeakPolarHBondContact O-CB 3.42Å; T147-F151 PolarHBondContact O-N 2.86Å
148V85Confident81.9Confident117 Ų117115 Ų11571%0.70957%0.574SS**Hα-helixtrans-58.6-38.3175.8179.70000110.9L152V148-L152 HydrophobicContact CG1-CD1 4.17Å; V148-L152 WeakPolarHBondContact O-CB 3.28Å; V148-L152 VanDerWaalsContact O-CG 3.23Å; V148-L152 WeakPolarHBondContact O-CG 3.46Å; V148-L152 PolarHBondContact O-N 2.93Å
149E86.7Confident82.4Confident151 Ų151115.9 Ų115.971%0.70658%0.581SS**Hα-helixtrans-67.5-49.6176.8-64.8179.8162.600111.8T147 F151 L152 E153T147-E149 PolarHBondContact O-N 2.9Å; E149-F151 VanDerWaalsContact C-N 3.27Å; E149-F151 PolarHBondContact O-N 3Å; E149-L152 PolarHBondContact O-N 3.42Å; E149-L152 VanDerWaalsContact O-N 3.11Å; E149-E153 PolarHBondContact O-N 3.29Å
150S85.5Confident82.9Confident50 Ų50115.7 Ų115.735%0.3558%0.579SS.*Hα-helixtrans-59.8-38.9175.9174.90000111.7T147 E153 W154T147-S150 PolarHBondContact O-N 2.9Å; T147-S150 VanDerWaalsContact OG1-CB 3.26Å; T147-S150 WeakPolarHBondContact OG1-CB 3.45Å; T147-S150 PolarHBondContact OG1-N 2.89Å; S150-E153 PolarHBondContact O-N 2.98Å; S150-W154 VanDerWaalsContact O-CB 3.26Å; S150-W154 WeakPolarHBondContact O-CB 3.4Å; S150-W154 PolarHBondContact O-N 2.73Å
151F87.4Confident83.4Confident95 Ų95114.2 Ų114.242%0.41757%0.574SS.*Hα-helixtrans-64.4-41.9174.7-175.9-103.6000111.9V146 T147 E149 W154 N155V146-F151 HydrophobicContact CG1-CB 3.63Å; V146-F151 HydrophobicContact CG1-CD2 3.9Å; V146-F151 HydrophobicContact CG1-CG 4.22Å; T147-F151 VanDerWaalsContact O-CB 3.24Å; T147-F151 WeakPolarHBondContact O-CB 3.42Å; T147-F151 PolarHBondContact O-N 2.86Å; E149-F151 VanDerWaalsContact C-N 3.27Å; E149-F151 PolarHBondContact O-N 3Å; F151-W154 AromaticContact CD2-CE3 3.9Å; F151-W154 HydrophobicContact CD2-CE3 3.9Å; F151-W154 HydrophobicContact CD2-CZ3 4.19Å; F151-W154 AromaticContact CE2-CE3 3.77Å; F151-W154 HydrophobicContact CE2-CE3 3.77Å; F151-W154 AromaticContact CE2-CZ3 3.58Å; F151-W154 HydrophobicContact CE2-CZ3 3.58Å; F151-W154 HydrophobicContact CZ-CZ3 4.19Å; F151-W154 PolarHBondContact O-N 3.37Å; F151-N155 HydrophobicContact CE1-CB 4.45Å; F151-N155 WeakPolarHBondContact O-CA 3.47Å; F151-N155 WeakPolarHBondContact O-CB 3.33Å; F151-N155 PolarHBondContact O-N 3.46Å
152L90.3Very high84.3Confident94 Ų94108.9 Ų108.949%0.49255%0.553SS.*Hα-helixtrans-67.9-41.3177.6-72.6170.7000111.6V148 E149 N155 T156V148-L152 HydrophobicContact CG1-CD1 4.17Å; V148-L152 WeakPolarHBondContact O-CB 3.28Å; V148-L152 VanDerWaalsContact O-CG 3.23Å; V148-L152 WeakPolarHBondContact O-CG 3.46Å; V148-L152 PolarHBondContact O-N 2.93Å; E149-L152 PolarHBondContact O-N 3.42Å; E149-L152 VanDerWaalsContact O-N 3.11Å; L152-N155 PolarHBondContact O-N 3.16Å; L152-T156 WeakPolarHBondContact O-CB 3.5Å; L152-T156 WeakPolarHBondContact O-CG2 3.3Å; L152-T156 PolarHBondContact O-N 3.13Å; L152-T156 PolarHBondContact O-OG1 3.07Å
153E88.6Confident85.1Confident120 Ų120107.4 Ų107.456%0.56155%0.553SS**Hα-helixtrans-62.5-44.1173-71.6-176.3-175.900112.2E149 S150 T156 K157E149-E153 PolarHBondContact O-N 3.29Å; S150-E153 PolarHBondContact O-N 2.98Å; E153-T156 WeakPolarHBondContact CA-OG1 3.5Å; E153-T156 PolarHBondContact O-OG1 2.82Å; E153-K157 WeakPolarHBondContact O-CG 3.37Å; E153-K157 PolarHBondContact O-N 3.29Å; E153-K157 VanDerWaalsContact O-N 3.13Å
154W89Confident85.5Confident139 Ų139106.1 Ų106.153%0.52753%0.534SS..Hα-helixtrans-62.4-47.3173.9172.979.5000111.2S150 F151 T156 K157 F158S150-W154 VanDerWaalsContact O-CB 3.26Å; S150-W154 WeakPolarHBondContact O-CB 3.4Å; S150-W154 PolarHBondContact O-N 2.73Å; F151-W154 AromaticContact CD2-CE3 3.9Å; F151-W154 HydrophobicContact CD2-CE3 3.9Å; F151-W154 HydrophobicContact CD2-CZ3 4.19Å; F151-W154 AromaticContact CE2-CE3 3.77Å; F151-W154 HydrophobicContact CE2-CE3 3.77Å; F151-W154 AromaticContact CE2-CZ3 3.58Å; F151-W154 HydrophobicContact CE2-CZ3 3.58Å; F151-W154 HydrophobicContact CZ-CZ3 4.19Å; F151-W154 PolarHBondContact O-N 3.37Å; W154-T156 PolarHBondContact O-N 2.87Å; W154-K157 PolarHBondContact O-N 3.3Å; W154-F158 HydrophobicContact CH2-CG 4.47Å; W154-F158 HydrophobicContact CZ2-CB 4.49Å; W154-F158 HydrophobicContact CZ2-CD2 4.25Å; W154-F158 HydrophobicContact CZ2-CG 4.27Å; W154-F158 VanDerWaalsContact O-CB 3.24Å; W154-F158 WeakPolarHBondContact O-CB 3.22Å; W154-F158 PolarHBondContact O-N 2.77Å
155N91.4Very high85.8Confident48 Ų48102.4 Ų102.426%0.25751%0.514SS..Hα-helixtrans-64.1-39.7-178.6-17544.8000111.6F151 L152 F158 L159F151-N155 HydrophobicContact CE1-CB 4.45Å; F151-N155 WeakPolarHBondContact O-CA 3.47Å; F151-N155 WeakPolarHBondContact O-CB 3.33Å; F151-N155 PolarHBondContact O-N 3.46Å; L152-N155 PolarHBondContact O-N 3.16Å; N155-F158 PolarHBondContact O-N 2.88Å; N155-L159 VanDerWaalsContact O-CB 3.31Å; N155-L159 WeakPolarHBondContact O-CB 3.32Å; N155-L159 WeakPolarHBondContact O-CG 3.49Å; N155-L159 PolarHBondContact O-N 3.32Å
156T92.1Very high85.9Confident89 Ų8998.3 Ų98.355%0.54650%0.502SS..Hα-helixtrans-64.7-44.5175.350.50000112.1L152 E153 W154 A160L152-T156 WeakPolarHBondContact O-CB 3.5Å; L152-T156 WeakPolarHBondContact O-CG2 3.3Å; L152-T156 PolarHBondContact O-N 3.13Å; L152-T156 PolarHBondContact O-OG1 3.07Å; E153-T156 WeakPolarHBondContact CA-OG1 3.5Å; E153-T156 PolarHBondContact O-OG1 2.82Å; W154-T156 PolarHBondContact O-N 2.87Å; T156-A160 WeakPolarHBondContact O-CB 3.35Å; T156-A160 PolarHBondContact O-N 2.8Å
157K90.9Very high85.6Confident150 Ų150100.4 Ų100.465%0.65251%0.505SS*.Hα-helixtrans-63.1-44.9174-73.9174.3-179.5170.90111.9E153 W154 A160 E161E153-K157 WeakPolarHBondContact O-CG 3.37Å; E153-K157 PolarHBondContact O-N 3.29Å; E153-K157 VanDerWaalsContact O-N 3.13Å; W154-K157 PolarHBondContact O-N 3.3Å; K157-A160 PolarHBondContact O-N 3.01Å; K157-E161 WeakPolarHBondContact O-CB 3.49Å; K157-E161 PolarHBondContact O-N 2.81Å
158F92.3Very high84.7Confident79 Ų79104.7 Ų104.735%0.34652%0.517SS..Hα-helixtrans-63.5-44.2179.7179.2-101.7000112.2W154 N155 E161 M162W154-F158 HydrophobicContact CH2-CG 4.47Å; W154-F158 HydrophobicContact CZ2-CB 4.49Å; W154-F158 HydrophobicContact CZ2-CD2 4.25Å; W154-F158 HydrophobicContact CZ2-CG 4.27Å; W154-F158 VanDerWaalsContact O-CB 3.24Å; W154-F158 WeakPolarHBondContact O-CB 3.22Å; W154-F158 PolarHBondContact O-N 2.77Å; N155-F158 PolarHBondContact O-N 2.88Å; F158-E161 PolarHBondContact O-N 2.76Å; F158-M162 HydrophobicContact CE1-CE 3.9Å; F158-M162 HydrophobicContact CE2-CE 3.82Å; F158-M162 HydrophobicContact CZ-CE 3.32Å; F158-M162 WeakPolarHBondContact O-CB 3.2Å; F158-M162 PolarHBondContact O-N 3.4Å
159L91Very high83.5Confident96 Ų96104.9 Ų104.950%0.50351%0.514SS..Hα-helixtrans-64.8-40.5175.8-72.2173.7000111.6N155 M162 E163N155-L159 VanDerWaalsContact O-CB 3.31Å; N155-L159 WeakPolarHBondContact O-CB 3.32Å; N155-L159 WeakPolarHBondContact O-CG 3.49Å; N155-L159 PolarHBondContact O-N 3.32Å; L159-M162 PolarHBondContact O-N 3.39Å; L159-E163 WeakPolarHBondContact O-CB 3.44Å; L159-E163 PolarHBondContact O-N 3.45Å
160A89.7Confident82Confident57 Ų57104 Ų10447%0.47151%0.512SS..Hα-helixtrans-63.8-40.8174.800000112.3T156 K157 E163 S164T156-A160 WeakPolarHBondContact O-CB 3.35Å; T156-A160 PolarHBondContact O-N 2.8Å; K157-A160 PolarHBondContact O-N 3.01Å; A160-E163 PolarHBondContact O-N 3.29Å; A160-S164 WeakPolarHBondContact O-CB 3.38Å; A160-S164 PolarHBondContact O-N 2.93Å
161E88Confident80.5Confident121 Ų121106.2 Ų106.257%0.56553%0.526SS*.Hα-helixtrans-63.2-47.4174.8-174.2179.4174.100111.1K157 F158 E163 S164 L165K157-E161 WeakPolarHBondContact O-CB 3.49Å; K157-E161 PolarHBondContact O-N 2.81Å; F158-E161 PolarHBondContact O-N 2.76Å; E161-E163 VanDerWaalsContact C-N 3.3Å; E161-E163 PolarHBondContact O-N 3.47Å; E161-S164 PolarHBondContact O-N 3.43Å; E161-S164 PolarHBondContact O-OG 3.12Å; E161-L165 PolarHBondContact O-N 3.48Å
162M85.2Confident79Confident75 Ų75111.5 Ų111.537%0.36955%0.552SS.*Hα-helixtrans-62.2-36.9178.4-164.265.364.700112.3F158 L159 K166F158-M162 HydrophobicContact CE1-CE 3.9Å; F158-M162 HydrophobicContact CE2-CE 3.82Å; F158-M162 HydrophobicContact CZ-CE 3.32Å; F158-M162 WeakPolarHBondContact O-CB 3.2Å; F158-M162 PolarHBondContact O-N 3.4Å; L159-M162 PolarHBondContact O-N 3.39Å; M162-K166 WeakPolarHBondContact O-CG 3.12Å; M162-K166 PolarHBondContact O-N 2.76Å
163E82.4Confident77Confident142 Ų142111.7 Ų111.766%0.66455%0.553SS**Hα-helixtrans-69.6-43.1174.5-172.5152.5-131.600111.6L159 A160 E161 L165 K166 E167L159-E163 WeakPolarHBondContact O-CB 3.44Å; L159-E163 PolarHBondContact O-N 3.45Å; A160-E163 PolarHBondContact O-N 3.29Å; E161-E163 VanDerWaalsContact C-N 3.3Å; E161-E163 PolarHBondContact O-N 3.47Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 2.94Å; E163-K166 WeakPolarHBondContact O-CB 3.45Å; E163-K166 PolarHBondContact O-N 3.48Å; E163-K166 VanDerWaalsContact O-N 3.16Å; E163-E167 PolarHBondContact O-N 3.01Å
164S78.9Confident75.4Confident40 Ų40111.7 Ų111.728%0.2856%0.564SS.*Hα-helixtrans-62.8-34.3174.481.60000112.7A160 E161 K168A160-S164 WeakPolarHBondContact O-CB 3.38Å; A160-S164 PolarHBondContact O-N 2.93Å; E161-S164 PolarHBondContact O-N 3.43Å; E161-S164 PolarHBondContact O-OG 3.12Å; S164-K168 WeakPolarHBondContact O-CB 3.22Å; S164-K168 VanDerWaalsContact O-CG 3.24Å; S164-K168 WeakPolarHBondContact O-CG 3.32Å; S164-K168 PolarHBondContact O-N 3.17Å
165L75.8Confident73.8Confident80 Ų80109.6 Ų109.642%0.41957%0.57SS.*Hα-helixtrans-68.4-43.8174.6-121.779.8000110.7E161 E163 E167 K168 L169E161-L165 PolarHBondContact O-N 3.48Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 2.94Å; L165-E167 VanDerWaalsContact C-N 3.35Å; L165-K168 PolarHBondContact O-N 3.39Å; L165-L169 VanDerWaalsContact O-CB 3.24Å; L165-L169 WeakPolarHBondContact O-CB 3.23Å; L165-L169 WeakPolarHBondContact O-CD1 3.33Å; L165-L169 WeakPolarHBondContact O-CG 3.47Å; L165-L169 PolarHBondContact O-N 3.33Å
166K74.9Confident72Confident139 Ų139111.4 Ų111.460%0.60459%0.592SS**Hα-helixtrans-61.5-42.7175.5-77.9177-177.2178.90111.7M162 E163 K168 L169 I170M162-K166 WeakPolarHBondContact O-CG 3.12Å; M162-K166 PolarHBondContact O-N 2.76Å; E163-K166 WeakPolarHBondContact O-CB 3.45Å; E163-K166 PolarHBondContact O-N 3.48Å; E163-K166 VanDerWaalsContact O-N 3.16Å; K166-K168 VanDerWaalsContact C-N 3.34Å; K166-K168 PolarHBondContact O-N 3.05Å; K166-L169 PolarHBondContact O-N 3.36Å; K166-I170 WeakPolarHBondContact O-CG1 3.24Å; K166-I170 PolarHBondContact O-N 2.95Å
167E68.3Low70.4Confident148 Ų148113 Ų11369%0.69260%0.601SS**Hα-helixtrans-62.7-40.8177.2-170.2172.7-166.700111.6E163 L165 L169E163-E167 PolarHBondContact O-N 3.01Å; L165-E167 VanDerWaalsContact C-N 3.35Å; E167-L169 VanDerWaalsContact C-N 3.33Å; E167-L169 PolarHBondContact O-N 3.42Å
168K65.2Low69.1Low168 Ų168115 Ų11573%0.7361%0.61SS**Hα-helixtrans-71.5-24.1174.1-69.9171.5-1751760114S164 L165 K166S164-K168 WeakPolarHBondContact O-CB 3.22Å; S164-K168 VanDerWaalsContact O-CG 3.24Å; S164-K168 WeakPolarHBondContact O-CG 3.32Å; S164-K168 PolarHBondContact O-N 3.17Å; L165-K168 PolarHBondContact O-N 3.39Å; K166-K168 VanDerWaalsContact C-N 3.34Å; K166-K168 PolarHBondContact O-N 3.05Å
169L59.2Low67.9Low122 Ų122122.2 Ų122.264%0.63964%0.635SS**THydrogen-bonded Turntrans-88.3-1.9179.5-90157.3000113.7L165 K166 E167 P171L165-L169 VanDerWaalsContact O-CB 3.24Å; L165-L169 WeakPolarHBondContact O-CB 3.23Å; L165-L169 WeakPolarHBondContact O-CD1 3.33Å; L165-L169 WeakPolarHBondContact O-CG 3.47Å; L165-L169 PolarHBondContact O-N 3.33Å; K166-L169 PolarHBondContact O-N 3.36Å; E167-L169 VanDerWaalsContact C-N 3.33Å; E167-L169 PolarHBondContact O-N 3.42Å; L169-P171 WeakPolarHBondContact O-CD 3.14Å; L169-P171 WeakPolarHBondContact O-CG 3.46Å
170I55.5Low66.9Low131 Ų131120.8 Ų120.867%0.67263%0.631SS**SBendtrans-78.599.7166.4-60.9165.6000106.6K166 E172K166-I170 WeakPolarHBondContact O-CG1 3.24Å; K166-I170 PolarHBondContact O-N 2.95Å; I170-E172 PolarHBondContact O-N 2.97Å
171P54.5Low66.2Low98 Ų98122.3 Ų122.364%0.63664%0.635SS**  trans-81125-174.7-4.927.2000107.7L169 D173L169-P171 WeakPolarHBondContact O-CD 3.14Å; L169-P171 WeakPolarHBondContact O-CG 3.46Å; P171-D173 PolarHBondContact O-N 3.16Å
172E55Low65.5Low205 Ų205119.4 Ų119.496%0.95864%0.637SS**SBendtrans-62-0.5170.6-83.7-150.6139.700113.5I170I170-E172 PolarHBondContact O-N 2.97Å
173D50.1Low65.1Low98 Ų98125.2 Ų125.252%0.52466%0.655SS.*  trans-138.4106.7-176-149-33.7000112.2P171 S175P171-D173 PolarHBondContact O-N 3.16Å; D173-S175 PolarHBondContact O-N 3.39Å; D173-S175 PolarHBondContact OD1-OG 2.85Å
174P54.3Low64.9Low121 Ų121123.1 Ų123.179%0.78665%0.645SS**THydrogen-bonded Turntrans-72.29.6-179.527.4-32.2000114.3
175S55.5Low64.6Low94 Ų94126.6 Ų126.666%0.65766%0.66SS**THydrogen-bonded Turntrans-101.6-6.7-172.269.30000116D173D173-S175 PolarHBondContact O-N 3.39Å; D173-S175 PolarHBondContact OD1-OG 2.85Å
176A53.6Low64.3Low86 Ų86131 Ų13171%0.71168%0.676SS**  trans-95.911.4-176.500000115.4K178A176-K178 VanDerWaalsContact C-N 3.26Å; A176-K178 PolarHBondContact O-N 2.68Å
177V58Low64.3Low122 Ų122129.9 Ų129.974%0.73968%0.676SS**  trans-80.658.8-172-163.90000112.8
178K64.4Low64.4Low193 Ų193131.2 Ų131.284%0.83968%0.68SS**  trans-97111.5156.1-71.7-175.2-177.9178.40107A176 P180A176-K178 VanDerWaalsContact C-N 3.26Å; A176-K178 PolarHBondContact O-N 2.68Å; K178-P180 WeakPolarHBondContact O-CD 3.44Å; K178-P180 VanDerWaalsContact O-N 3.14Å
179R67Low64.5Low230 Ų230128 Ų12887%0.86867%0.67SS**PPolyproline II helixtrans-52.7119.1174.3-67.2179.8-177.9-179.9-0.3107.5T181R179-T181 PolarHBondContact O-N 3.18Å
180P69.2Low64.9Low67 Ų67127.1 Ų127.144%0.43567%0.666SS.*PPolyproline II helixtrans-60.1138.2179.423.6-31.4000108.8K178 E184 L185K178-P180 WeakPolarHBondContact O-CD 3.44Å; K178-P180 VanDerWaalsContact O-N 3.14Å; P180-E184 WeakPolarHBondContact CA-OE2 3.43Å; P180-E184 HydrophobicContact CB-CB 4.03Å; P180-L185 HydrophobicContact CG-CG 4.43Å
181T75.1Confident65.5Low89 Ų89127.7 Ų127.755%0.54667%0.666SS.*PPolyproline II helixtrans-66.2154.3173.836.20000110.3R179 R183 E184 L185R179-T181 PolarHBondContact O-N 3.18Å; T181-R183 PolarHBondContact O-N 3.46Å; T181-E184 PolarHBondContact N-OE2 3Å; T181-E184 WeakPolarHBondContact O-CB 3.46Å; T181-E184 PolarHBondContact O-N 3.46Å; T181-E184 PolarHBondContact OG1-OE2 3.06Å; T181-L185 PolarHBondContact O-N 3.05Å
182G73.4Confident66Low59 Ų59131.2 Ų131.261%0.60867%0.667SS**Hα-helixtrans-52.8-29.8179.900000113.7L185 F186G182-L185 PolarHBondContact O-N 2.84Å; G182-F186 PolarHBondContact O-N 2.84Å; G182-F186 VanDerWaalsContact O-N 3.16Å
183R77.1Confident66.4Low198 Ų198126 Ų12675%0.74765%0.646SS**Hα-helixtrans-64.9-39.2172.5-173.2179.5179.4-170.30.8113.7T181 F186 L187T181-R183 PolarHBondContact O-N 3.46Å; R183-F186 PolarHBondContact O-N 2.75Å; R183-L187 HydrophobicContact CG-CD1 4.08Å; R183-L187 WeakPolarHBondContact O-CG 3.35Å; R183-L187 PolarHBondContact O-N 2.88Å
184E77.2Confident67.1Low97 Ų97126.5 Ų126.545%0.45365%0.649SS.*Hα-helixtrans-75.1-28.9179.4-68.8172.1134.500112.3P180 T181 K188P180-E184 WeakPolarHBondContact CA-OE2 3.43Å; P180-E184 HydrophobicContact CB-CB 4.03Å; T181-E184 PolarHBondContact N-OE2 3Å; T181-E184 WeakPolarHBondContact O-CB 3.46Å; T181-E184 PolarHBondContact O-N 3.46Å; T181-E184 PolarHBondContact OG1-OE2 3.06Å; E184-K188 WeakPolarHBondContact O-CB 3.48Å; E184-K188 WeakPolarHBondContact O-CG 3.31Å; E184-K188 PolarHBondContact O-N 2.7Å
185L72.5Confident67.7Low113 Ų113122.5 Ų122.559%0.59262%0.624SS**Hα-helixtrans-65.1-47.2170.3-88162.4000110.5P180 T181 G182 K188 D189P180-L185 HydrophobicContact CG-CG 4.43Å; T181-L185 PolarHBondContact O-N 3.05Å; G182-L185 PolarHBondContact O-N 2.84Å; L185-K188 PolarHBondContact O-N 2.88Å; L185-D189 PolarHBondContact O-N 3.34Å
186F70.7Confident68.1Low172 Ų172123.7 Ų123.775%0.75462%0.623SS**Hα-helixtrans-64-40.2179.4-168.6-100.8000112.7G182 R183 K188G182-F186 PolarHBondContact O-N 2.84Å; G182-F186 VanDerWaalsContact O-N 3.16Å; R183-F186 PolarHBondContact O-N 2.75Å; F186-K188 VanDerWaalsContact C-N 3.33Å; F186-K188 PolarHBondContact O-N 2.85Å
187L74Confident68.6Low116 Ų116124.6 Ų124.661%0.60762%0.615SS**Hα-helixtrans-75.9-14179.4-71.5171.1000114.9R183R183-L187 HydrophobicContact CG-CD1 4.08Å; R183-L187 WeakPolarHBondContact O-CG 3.35Å; R183-L187 PolarHBondContact O-N 2.88Å
188K71.4Confident68.9Low177 Ų177122.2 Ų122.277%0.7760%0.601SS**Hα-helixtrans-94.4-23.1177.5-84.5-178.4176.31740112.9E184 L185 F186 N190E184-K188 WeakPolarHBondContact O-CB 3.48Å; E184-K188 WeakPolarHBondContact O-CG 3.31Å; E184-K188 PolarHBondContact O-N 2.7Å; L185-K188 PolarHBondContact O-N 2.88Å; F186-K188 VanDerWaalsContact C-N 3.33Å; F186-K188 PolarHBondContact O-N 2.85Å; K188-N190 PolarHBondContact O-N 3.48Å
189D67.3Low69Low100 Ų100119.4 Ų119.454%0.53559%0.589SS.*  trans-95.883.8-175.9-167.410.8000110.6L185 H191L185-D189 PolarHBondContact O-N 3.34Å; D189-H191 PolarHBondContact O-N 3.25Å; D189-H191 WeakPolarHBondContact OD1-CB 3.28Å; D189-H191 PolarHBondContact OD1-N 3.01Å
190N67.1Low68.9Low103 Ų103112.4 Ų112.455%0.55157%0.568SS**G310 helixtrans-75.411.8175.1-97.856.2000113.2K188 Y192 D193K188-N190 PolarHBondContact O-N 3.48Å; N190-Y192 PolarHBondContact O-N 3.36Å; N190-D193 PolarHBondContact ND2-OD2 3.41Å; N190-D193 PolarHBondContact O-N 3.16Å; N190-D193 PolarHBondContact OD1-OD2 3.38Å
191H67.6Low68.7Low143 Ų143116.9 Ų116.966%0.66258%0.584SS**G310 helixtrans-65.4-25-175.5-170.859.6000113.5D189D189-H191 PolarHBondContact O-N 3.25Å; D189-H191 WeakPolarHBondContact OD1-CB 3.28Å; D189-H191 PolarHBondContact OD1-N 3.01Å
192Y65.8Low68.3Low172 Ų172118.1 Ų118.168%0.67559%0.591SS**G310 helixtrans-98.9-10.4-178.1-90.6-86.2000114.9N190 D194 S195N190-Y192 PolarHBondContact O-N 3.36Å; Y192-D194 PolarHBondContact O-N 3.2Å; Y192-S195 WeakPolarHBondContact CD1-OG 3.22Å; Y192-S195 PolarHBondContact O-N 3.15Å; Y192-S195 PolarHBondContact O-OG 3.23Å
193D64.3Low67.9Low96 Ų96120.9 Ų120.951%0.51359%0.592SS.*THydrogen-bonded Turntrans-63.4-31.1-176.8-77.9-5.4000112N190N190-D193 PolarHBondContact ND2-OD2 3.41Å; N190-D193 PolarHBondContact O-N 3.16Å; N190-D193 PolarHBondContact OD1-OD2 3.38Å
194D63.9Low67.2Low108 Ų108114.9 Ų114.958%0.57859%0.592SS**THydrogen-bonded Turntrans-106.7-5.3-176.4-66.8-30000113.9Y192 D196 T198Y192-D194 PolarHBondContact O-N 3.2Å; D194-D196 PolarHBondContact O-N 3.46Å; D194-T198 WeakPolarHBondContact O-CB 3.46Å; D194-T198 VanDerWaalsContact O-CG2 3.27Å; D194-T198 WeakPolarHBondContact O-CG2 2.98Å; D194-T198 PolarHBondContact O-N 3.05Å; D194-T198 PolarHBondContact O-OG1 2.94Å
195S66.1Low66.4Low38 Ų38111.6 Ų111.627%0.26658%0.584SS.*Hα-helixtrans-68.5-37-172.964.60000112.8Y192 T198 F199Y192-S195 WeakPolarHBondContact CD1-OG 3.22Å; Y192-S195 PolarHBondContact O-N 3.15Å; Y192-S195 PolarHBondContact O-OG 3.23Å; S195-T198 PolarHBondContact O-OG1 3.46Å; S195-F199 WeakPolarHBondContact O-CB 3.48Å; S195-F199 PolarHBondContact O-N 2.95Å
196D63.9Low65.8Low119 Ų119114.4 Ų114.464%0.63659%0.594SS**Hα-helixtrans-81.6-34.8-177.9-76.79.2000111.8D194 L200D194-D196 PolarHBondContact O-N 3.46Å; D196-L200 WeakPolarHBondContact O-CG 3.43Å; D196-L200 PolarHBondContact O-N 3.25Å; D196-L200 VanDerWaalsContact O-N 3.15Å
197L64.7Low65.5Low104 Ų104111.5 Ų111.555%0.54559%0.59SS.*Hα-helixtrans-66.7-45.9175.5-81.6160.4000111.8F199 L200 E201L197-F199 VanDerWaalsContact C-N 3.3Å; L197-F199 PolarHBondContact O-N 2.98Å; L197-L200 PolarHBondContact O-N 3.42Å; L197-E201 WeakPolarHBondContact O-CB 3.35Å; L197-E201 PolarHBondContact O-N 3.4Å
198T64.9Low65Low72 Ų72111.3 Ų111.344%0.44259%0.594SS.*Hα-helixtrans-66.7-32.2179.151.90000112.5D194 S195 T202D194-T198 WeakPolarHBondContact O-CB 3.46Å; D194-T198 VanDerWaalsContact O-CG2 3.27Å; D194-T198 WeakPolarHBondContact O-CG2 2.98Å; D194-T198 PolarHBondContact O-N 3.05Å; D194-T198 PolarHBondContact O-OG1 2.94Å; S195-T198 PolarHBondContact O-OG1 3.46Å; T198-T202 VanDerWaalsContact O-CB 3.32Å; T198-T202 WeakPolarHBondContact O-CB 3.18Å; T198-T202 PolarHBondContact O-N 3.1Å; T198-T202 VanDerWaalsContact O-N 3.11Å; T198-T202 PolarHBondContact O-OG1 3.44Å
199F66Low64.8Low134 Ų134111.6 Ų111.659%0.58860%0.598SS**Hα-helixtrans-68.6-43.3175.3-172.5-100.1000112.4S195 L197 N203S195-F199 WeakPolarHBondContact O-CB 3.48Å; S195-F199 PolarHBondContact O-N 2.95Å; L197-F199 VanDerWaalsContact C-N 3.3Å; L197-F199 PolarHBondContact O-N 2.98Å; F199-N203 WeakPolarHBondContact O-CB 3.28Å; F199-N203 PolarHBondContact O-N 3.3Å; F199-N203 VanDerWaalsContact O-N 3.14Å
200L65.7Low64.9Low83 Ų83113 Ų11344%0.43560%0.604SS.*Hα-helixtrans-69.3-39.3177.6-72.1170000112.3D196 L197 T202 N203 G204 G205D196-L200 WeakPolarHBondContact O-CG 3.43Å; D196-L200 PolarHBondContact O-N 3.25Å; D196-L200 VanDerWaalsContact O-N 3.15Å; L197-L200 PolarHBondContact O-N 3.42Å; L200-T202 VanDerWaalsContact C-N 3.33Å; L200-T202 PolarHBondContact O-N 2.94Å; L200-N203 PolarHBondContact O-N 3.4Å; L200-G204 PolarHBondContact O-N 3.03Å; L200-G205 PolarHBondContact O-N 2.76Å
201E64.2Low65.3Low162 Ų162112.1 Ų112.176%0.75760%0.599SS**Hα-helixtrans-65.6-36.3177.1-163.3174.8-153.800112L197L197-E201 WeakPolarHBondContact O-CB 3.35Å; L197-E201 PolarHBondContact O-N 3.4Å
202T66.2Low65.4Low114 Ų114113.4 Ų113.470%0.69961%0.606SS**Hα-helixtrans-77-31.4-179.7-55.30000113.1T198 L200T198-T202 VanDerWaalsContact O-CB 3.32Å; T198-T202 WeakPolarHBondContact O-CB 3.18Å; T198-T202 PolarHBondContact O-N 3.1Å; T198-T202 VanDerWaalsContact O-N 3.11Å; T198-T202 PolarHBondContact O-OG1 3.44Å; L200-T202 VanDerWaalsContact C-N 3.33Å; L200-T202 PolarHBondContact O-N 2.94Å
203N64.7Low65.8Low117 Ų117113.7 Ų113.763%0.62661%0.613SS**THydrogen-bonded Turntrans-10110.4-177.4-8124.5000114.3F199 L200 G205F199-N203 WeakPolarHBondContact O-CB 3.28Å; F199-N203 PolarHBondContact O-N 3.3Å; F199-N203 VanDerWaalsContact O-N 3.14Å; L200-N203 PolarHBondContact O-N 3.4Å; N203-G205 VanDerWaalsContact C-N 3.31Å; N203-G205 PolarHBondContact O-N 3.37Å
204G62.2Low66.1Low72 Ų72115.9 Ų115.974%0.74262%0.623SS**THydrogen-bonded Turntrans68.728.6177.800000113.7L200L200-G204 PolarHBondContact O-N 3.03Å
205G62Low66.6Low28 Ų28117.7 Ų117.729%0.28963%0.627SS.*  trans-69.4126.1170.200000110.1L200 N203 V207L200-G205 PolarHBondContact O-N 2.76Å; N203-G205 VanDerWaalsContact C-N 3.31Å; N203-G205 PolarHBondContact O-N 3.37Å; G205-V207 PolarHBondContact O-N 3.14Å
206E59.6Low66.7Low172 Ų172120.5 Ų120.580%0.80464%0.642SS**  trans-62.3122.8175.7-174.4170.6-173.900109.9V208E206-V208 PolarHBondContact O-N 2.93Å
207V63.6Low67.2Low112 Ų112121 Ų12168%0.67964%0.644SS**  trans-70.5100172.1179.50000107.3G205 E209G205-V207 PolarHBondContact O-N 3.14Å; V207-E209 PolarHBondContact O-N 2.96Å
208V63.3Low67.2Low112 Ų112123 Ų12368%0.67965%0.654SS**  trans-78.3107.5174.5-178.10000108E206 I210E206-V208 PolarHBondContact O-N 2.93Å; V208-I210 PolarHBondContact O-N 2.85Å
209E67.1Low67.5Low183 Ų183122.9 Ų122.986%0.85567%0.667SS**  trans-64.9116.7170.8-71.8-177.5168.900109.4V207 D211V207-E209 PolarHBondContact O-N 2.96Å; E209-D211 PolarHBondContact O-N 2.98Å
210I69.3Low67.6Low128 Ų128122.7 Ų122.766%0.65667%0.672SS**  trans-83113176.8-57.5174.3000107.8V208 E212 F215V208-I210 PolarHBondContact O-N 2.85Å; I210-E212 PolarHBondContact O-N 2.89Å; I210-F215 HydrophobicContact CG2-CD2 4.39Å; I210-F215 HydrophobicContact CG2-CE2 3.54Å; I210-F215 HydrophobicContact CG2-CZ 4.21Å
211D76.5Confident67.6Low86 Ų86122 Ų12246%0.4667%0.669SS.*  trans-77.3107.8173.5-173-4.9000109.8E209 H213 L214E209-D211 PolarHBondContact O-N 2.98Å; D211-H213 PolarHBondContact O-N 3.04Å; D211-H213 VanDerWaalsContact O-N 3.13Å; D211-H213 WeakPolarHBondContact OD1-CB 3.32Å; D211-H213 IonicContact OD1-CD2 3.14Å; D211-H213 PolarHBondContact OD1-CD2 3.29Å; D211-H213 IonicContact OD1-CG 3.75Å; D211-H213 PolarHBondContact OD1-N 3.27Å; D211-L214 HydrophobicContact CB-CD1 3.99Å; D211-L214 WeakPolarHBondContact O-CB 3.4Å; D211-L214 PolarHBondContact O-N 3.49Å
212E70.5Confident67.7Low170 Ų170121.6 Ų121.679%0.79467%0.671SS**G310 helixtrans-59.6-20.6179.4-67.6-176.8171.300112.8I210 L214 F215I210-E212 PolarHBondContact O-N 2.89Å; E212-L214 VanDerWaalsContact C-N 3.25Å; E212-L214 PolarHBondContact O-N 2.89Å; E212-F215 PolarHBondContact O-N 3.22Å
213H73.1Confident67.5Low178 Ų178123.1 Ų123.182%0.82468%0.675SS**G310 helixtrans-73.8-12.8175.5-66.9-62.1000114.2D211 F215D211-H213 PolarHBondContact O-N 3.04Å; D211-H213 VanDerWaalsContact O-N 3.13Å; D211-H213 WeakPolarHBondContact OD1-CB 3.32Å; D211-H213 IonicContact OD1-CD2 3.14Å; D211-H213 PolarHBondContact OD1-CD2 3.29Å; D211-H213 IonicContact OD1-CG 3.75Å; D211-H213 PolarHBondContact OD1-N 3.27Å; H213-F215 VanDerWaalsContact C-N 3.3Å
214L70.6Confident67Low141 Ų141124.6 Ų124.674%0.73868%0.682SS**G310 helixtrans-77.8-15.6173.4-105.9104.9000113.1D211 E212D211-L214 HydrophobicContact CB-CD1 3.99Å; D211-L214 WeakPolarHBondContact O-CB 3.4Å; D211-L214 PolarHBondContact O-N 3.49Å; E212-L214 VanDerWaalsContact C-N 3.25Å; E212-L214 PolarHBondContact O-N 2.89Å
215F74Confident66.7Low147 Ų147127.9 Ų127.965%0.64568%0.683SS**SBendtrans-101.6124.8-177.6-64.2-90.2000109.9I210 E212 H213I210-F215 HydrophobicContact CG2-CD2 4.39Å; I210-F215 HydrophobicContact CG2-CE2 3.54Å; I210-F215 HydrophobicContact CG2-CZ 4.21Å; E212-F215 PolarHBondContact O-N 3.22Å; H213-F215 VanDerWaalsContact C-N 3.3Å
216V69.4Low66.2Low97 Ų97133 Ų13359%0.58870%0.704SS**PPolyproline II helixtrans-76133.3171-1780000107.8I218 D220 I221V216-I218 PolarHBondContact O-N 3.19Å; V216-D220 HydrophobicContact CG1-CB 3.81Å; V216-I221 HydrophobicContact CG1-CG1 4.16Å
217D73Confident65.9Low128 Ų128131.6 Ų131.668%0.68470%0.702SS**PPolyproline II helixtrans-55.1134.1177.5-109.1-29000109.9G219 D220D217-G219 PolarHBondContact O-N 3.23Å; D217-D220 PolarHBondContact O-N 2.94Å
218I66.2Low65.1Low147 Ų147132.8 Ų132.875%0.75470%0.704SS**THydrogen-bonded Turntrans-56.2-17.9-178.4-160.781.7000112.9V216 I221V216-I218 PolarHBondContact O-N 3.19Å; I218-I221 HydrophobicContact CD1-CD1 4.42Å
219G69.4Low64.3Low69 Ų69133.4 Ų133.471%0.71170%0.704SS**THydrogen-bonded Turntrans-90.1-11176.200000115.7D217D217-G219 PolarHBondContact O-N 3.23Å
220D69.4Low63.6Low131 Ų131132 Ų13270%0.70170%0.702SS**SBendtrans-94.4-0.9170.4-89-10.6000111.6V216 D217 D222V216-D220 HydrophobicContact CG1-CB 3.81Å; D217-D220 PolarHBondContact O-N 2.94Å; D220-D222 PolarHBondContact O-N 3.04Å
221I66Low62.4Low69 Ų69132.1 Ų132.135%0.35470%0.704SS.*  trans-90.887.2176.3-66.2173.6000107.6V216 I218 L223V216-I221 HydrophobicContact CG1-CG1 4.16Å; I218-I221 HydrophobicContact CD1-CD1 4.42Å; I221-L223 HydrophobicContact CG2-CD1 3.59Å; I221-L223 HydrophobicContact CG2-CD2 3.93Å; I221-L223 HydrophobicContact CG2-CG 3.41Å; I221-L223 VanDerWaalsContact CG2-CG 3.41Å; I221-L223 PolarHBondContact O-N 3.13Å
222D66Low61.2Low152 Ų152136.7 Ų136.781%0.81372%0.723SS**  trans-64.892.2169.8-83.6-28.3000109.1D220 D224D220-D222 PolarHBondContact O-N 3.04Å; D222-D224 VanDerWaalsContact C-N 3.31Å
223L62.6Low59.9Low147 Ų147134 Ų13477%0.7772%0.718SS**  trans-9728.7172.5-67.8167.5000112I221 D225I221-L223 HydrophobicContact CG2-CD1 3.59Å; I221-L223 HydrophobicContact CG2-CD2 3.93Å; I221-L223 HydrophobicContact CG2-CG 3.41Å; I221-L223 VanDerWaalsContact CG2-CG 3.41Å; I221-L223 PolarHBondContact O-N 3.13Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 3.09Å
224D53.6Low58.9Low147 Ų147131.3 Ų131.379%0.78671%0.713SS**  trans-92.470.5170.6-74.9-15.4000108.7D222D222-D224 VanDerWaalsContact C-N 3.31Å
225D56.4Low57.5Low142 Ų142130.5 Ų130.576%0.75971%0.714SS**  trans-161.297157.5-97.9-21.9000108.7L223L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 3.09Å
226D51Low56.5Low135 Ų135128.7 Ų128.772%0.72272%0.715SS**  56.5139.8127.9-73.9-22.5000121.4
227D52.4Low55Low143 Ų143132.9 Ų132.977%0.76573%0.729SS**  trans81.696.8154.9-55.6-28.7000116.7
228D47.5Very low54Low136 Ų136133.2 Ų133.273%0.72774%0.735SS**  73.512878.6-161.626.8000112.8
229D47.2Very low53Low125 Ų125134.9 Ų134.967%0.66877%0.771SS**  trans49.3101.5160.2-86.4-18.6000119.4
230N50.7Low52.2Low155 Ų155138.2 Ų138.283%0.82977%0.774SS**  -175110.1105.1-100.9-56.6000114.7
231N45.8Very low51.3Low130 Ų130138.5 Ų138.570%0.69578%0.778SS**  trans-39.6126.9148.8-167.421.5000113.7
232Q50Low50.5Low181 Ų181142.4 Ų142.485%0.84680%0.801SS**  trans-160.2113.1137.9-118.6170.451.700114.2
233V44.5Very low49.6Very low115 Ų115141.8 Ų141.870%0.69780%0.8SS**  trans-53.5125.5165.4-153.60000110.1V235V233-V235 HydrophobicContact CG1-CG2 4.15Å
234V51.8Low48.8Very low120 Ų120141.5 Ų141.573%0.72780%0.802SS**  trans-117.898.7165.2-178.90000107.7T236V234-T236 HydrophobicContact CG1-CG2 3.84Å
235V41Very low48.5Very low124 Ų124141.1 Ų141.175%0.75280%0.803SS**  trans-82.6120.5163.3-173.90000106.6V233V233-V235 HydrophobicContact CG1-CG2 4.15Å
236T53.2Low47.9Very low110 Ų110141.1 Ų141.168%0.67581%0.807SS**  trans-127.399.9166.148.60000108.9V234V234-T236 HydrophobicContact CG1-CG2 3.84Å
237E37.3Very low47.7Very low185 Ų185141.5 Ų141.586%0.86481%0.813SS**  trans-72127.2149.2-83.7-177144.200107.8
238T52.3Low47.3Very low135 Ų135141.4 Ų141.483%0.82882%0.817SS**  trans-152.4132.7155.835.70000111.2
239A45.8Very low47.2Very low181 Ų181141.9 Ų141.9100%1.49683%0.825SS**  trans82.60166.500000118.1

Retrieved 239 of 239 residues in 62.9 ms (Link to these results)

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