A0A087Y318_POEFO Loading...

Osteoclast-stimulating factor 1

Induces bone resorption, acting probably through a signaling cascade which results in the secretion of factor(s) enhancing osteoclast formation and activity.

AlphaFold DB , UniProt , Accession A0A087Y318, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 675 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
1M86.9Confident92.8Very high88 Ų8863.5 Ų63.543%0.43331%0.308SS..  01670179.3-175.4-74.500109.2V3 N27 V28 Y30 M37 E55M1-V3 HydrophobicContact CG-CG1 4.03Å; M1-V3 HydrophobicContact SD-CG1 3.82Å; M1-N27 PolarHBondContact O-N 3.29Å; M1-N27 VanDerWaalsContact O-N 3.17Å; M1-V28 HydrophobicContact CB-CB 4.04Å; M1-V28 WeakPolarHBondContact CB-O 3.38Å; M1-V28 PolarHBondContact N-O 2.77Å; M1-V28 PolarHBondContact O-N 3.2Å; M1-Y30 HydrophobicContact CE-CE2 4.01Å; M1-M37 HydrophobicContact SD-CE 3.86Å; M1-E55 HydrophobicContact CE-CG 4.2Å; M1-E55 WeakPolarHBondContact CE-OE1 3.11Å; M1-E55 HydrophobicContact SD-CG 3.85Å
2E93.5Very high92.3Very high43 Ų4369 Ų6920%0.20134%0.339CS..  trans-120.8139.5163.2-69.1-176.8138.900107.8I25 K26 L56 K58E2-I25 WeakPolarHBondContact CA-O 3.46Å; E2-K26 HydrophobicContact CG-CG 4.16Å; E2-K26 WeakPolarHBondContact OE1-CE 3.44Å; E2-L56 PolarHBondContact O-N 2.63Å; E2-K58 IonicContact OE1-NZ 2.73Å; E2-K58 PolarHBondContact OE1-NZ 2.67Å; E2-K58 WeakPolarHBondContact OE2-CD 3.07Å; E2-K58 WeakPolarHBondContact OE2-CE 3.46Å; E2-K58 IonicContact OE2-NZ 3.93Å; E2-K58 PolarHBondContact OE2-NZ 3.33Å
3V94.2Very high91.9Very high0 Ų072.7 Ų72.70%035%0.354CS..EExtended strand (participates in β ladder)trans-133.7149-179.4-52.10000110.3M1 I24 I25 V28 M37 F48 V53 K54M1-V3 HydrophobicContact CG-CG1 4.03Å; M1-V3 HydrophobicContact SD-CG1 3.82Å; V3-I24 WeakPolarHBondContact O-CA 3.33Å; V3-I25 HydrophobicContact CG2-CB 3.85Å; V3-I25 HydrophobicContact CG2-CD1 4Å; V3-I25 HydrophobicContact CG2-CG1 4.13Å; V3-I25 PolarHBondContact N-O 3.31Å; V3-I25 PolarHBondContact O-N 2.64Å; V3-V28 HydrophobicContact CG1-CB 4.35Å; V3-V28 HydrophobicContact CG1-CG1 4.17Å; V3-V28 HydrophobicContact CG1-CG2 4.27Å; V3-V28 HydrophobicContact CG2-CG2 3.96Å; V3-M37 HydrophobicContact CG1-CE 4.36Å; V3-M37 HydrophobicContact CG1-SD 4.46Å; V3-F48 HydrophobicContact CG2-CE2 4.27Å; V3-F48 HydrophobicContact CG2-CZ 4.27Å; V3-V53 HydrophobicContact CB-CB 3.99Å; V3-V53 HydrophobicContact CB-CG2 4.05Å; V3-V53 HydrophobicContact CG1-CG2 4.32Å; V3-V53 HydrophobicContact CG2-CB 3.69Å; V3-V53 HydrophobicContact CG2-CG1 3.93Å; V3-V53 HydrophobicContact CG2-CG2 3.85Å; V3-K54 CarbonylContact C-O 3.48Å; V3-K54 VanDerWaalsContact CA-O 3.23Å; V3-K54 WeakPolarHBondContact CA-O 3.3Å; V3-K54 WeakPolarHBondContact CB-O 3.38Å
4L94.4Very high91.5Very high55 Ų5580.5 Ų80.529%0.28840%0.398SS..EExtended strand (participates in β ladder)trans-98.2134.2172-175.674.4000109I24 V53 K54L4-I24 HydrophobicContact CD1-CD1 4.49Å; L4-I24 HydrophobicContact CD1-CG1 3.76Å; L4-V53 CarbonylContact O-C 3.52Å; L4-V53 VanDerWaalsContact O-CA 3.26Å; L4-V53 WeakPolarHBondContact O-CA 3.46Å; L4-K54 PolarHBondContact N-O 2.96Å; L4-K54 PolarHBondContact O-N 3.35Å
5V95.4Very high91.5Very high2 Ų281.8 Ų81.81%0.01241%0.408CS..EExtended strand (participates in β ladder)trans-74.1121.8171.9178.90000109.8Y7 L19 R20 G22 D23 I25 V53V5-Y7 WeakPolarHBondContact CG1-O 3.4Å; V5-L19 HydrophobicContact CG1-CB 3.72Å; V5-L19 HydrophobicContact CG1-CD1 4.27Å; V5-L19 HydrophobicContact CG2-CB 3.97Å; V5-L19 HydrophobicContact CG2-CD1 4.11Å; V5-L19 HydrophobicContact CG2-CD2 4.19Å; V5-L19 HydrophobicContact CG2-CG 4.33Å; V5-R20 WeakPolarHBondContact CB-O 3.48Å; V5-R20 WeakPolarHBondContact CG1-O 3.42Å; V5-G22 PolarHBondContact O-N 3.39Å; V5-D23 HydrophobicContact CB-CB 4.18Å; V5-D23 HydrophobicContact CG2-CB 3.72Å; V5-D23 PolarHBondContact N-O 2.94Å; V5-I25 HydrophobicContact CG2-CD1 3.98Å; V5-I25 HydrophobicContact CG2-CG1 4.04Å; V5-V53 HydrophobicContact CG2-CG1 4.17Å
6E92.9Very high91.6Very high81 Ų8178.3 Ų78.338%0.37939%0.39SS..  trans-94.2-28.8171.3-66.6-152.7132.400112.6F52 K54E6-F52 PolarHBondContact N-O 2.72Å; E6-K54 HydrophobicContact CG-CB 4.09Å; E6-K54 HydrophobicContact CG-CD 3.99Å; E6-K54 WeakPolarHBondContact OE1-CD 3.32Å; E6-K54 WeakPolarHBondContact OE1-CE 3.48Å; E6-K54 IonicContact OE1-NZ 2.63Å; E6-K54 PolarHBondContact OE1-NZ 2.66Å; E6-K54 WeakPolarHBondContact OE2-CD 3.25Å; E6-K54 IonicContact OE2-NZ 2.65Å; E6-K54 PolarHBondContact OE2-NZ 2.84Å; E6-K54 VanDerWaalsContact OE2-NZ 3.11Å
7Y90.9Very high91.6Very high139 Ų13974.1 Ų74.155%0.54537%0.369SS..SBendtrans-126.9147.6-174.2-60.6-82.5000112.5V5 F52V5-Y7 WeakPolarHBondContact CG1-O 3.4Å; Y7-F52 PolarHBondContact N-O 2.73Å
8E94.1Very high91.7Very high129 Ų12973.3 Ų73.360%0.60337%0.369SS*.  trans-75.4141.4177.670.6-174.1152.400112.2L19 R20 P21 F52E8-L19 WeakPolarHBondContact CA-O 3.35Å; E8-R20 IonicContact OE2-NH1 3.17Å; E8-P21 HydrophobicContact CB-CG 4.2Å; E8-F52 VanDerWaalsContact O-CE1 3.31Å; E8-F52 WeakPolarHBondContact O-CE1 3.35Å
9Y93.1Very high91.9Very high33 Ų3369.5 Ų69.513%0.12935%0.349CS..BIsolated β-bridgetrans-141.5123.6177.4-176.1-97.7000108.9E16 T18 L19 W36 P49 F52Y9-E16 PolarHBondContact OH-OE1 3.47Å; Y9-E16 PolarHBondContact OH-OE2 2.94Å; Y9-T18 CarbonylContact O-C 3.47Å; Y9-T18 VanDerWaalsContact O-CA 3.32Å; Y9-T18 WeakPolarHBondContact O-CA 3.17Å; Y9-L19 PolarHBondContact N-O 2.94Å; Y9-L19 PolarHBondContact O-N 3.35Å; Y9-W36 WeakPolarHBondContact OH-CH2 3.31Å; Y9-P49 HydrophobicContact CD2-CG 4.04Å; Y9-P49 HydrophobicContact CE2-CG 3.77Å; Y9-F52 HydrophobicContact CD2-CD1 4.3Å; Y9-F52 HydrophobicContact CD2-CE1 4.07Å; Y9-F52 HydrophobicContact CD2-CZ 4.36Å
10D93.1Very high92Very high91 Ų9171 Ų7149%0.48735%0.351SS..  trans-90.7132.8170.7-73-39.7000108.8L12 R20D10-L12 WeakPolarHBondContact O-CD1 3.38Å; D10-L12 PolarHBondContact O-N 2.73Å; D10-R20 IonicContact OD1-CZ 3.29Å; D10-R20 IonicContact OD1-NH1 3.32Å; D10-R20 PolarHBondContact OD1-NH1 2.72Å; D10-R20 IonicContact OD1-NH2 2.66Å; D10-R20 PolarHBondContact OD1-NH2 2.9Å
11A92.3Very high92.1Very high37 Ų3771.4 Ų71.431%0.30636%0.359SS..  trans-67.1126175.400000110.6E16 T18A11-E16 WeakPolarHBondContact CA-OE2 3Å; A11-E16 HydrophobicContact CB-CB 3.75Å; A11-T18 VanDerWaalsContact CB-OG1 3.3Å; A11-T18 WeakPolarHBondContact CB-OG1 3.11Å; A11-T18 PolarHBondContact N-OG1 3.01Å
12L86.7Confident92.2Very high130 Ų13069.7 Ų69.768%0.68136%0.364SS*.SBendtrans-87.6-30.7171.1-82.661.4000111.4D10 E16D10-L12 WeakPolarHBondContact O-CD1 3.38Å; D10-L12 PolarHBondContact O-N 2.73Å; L12-E16 WeakPolarHBondContact CA-OE2 3.27Å; L12-E16 PolarHBondContact N-OE2 3.26Å
13H87.1Confident92.2Very high117 Ų11769.6 Ų69.654%0.54237%0.365SS..SBendtrans-120.2156.6-176.4-65.1-88.2000112.7D15 E16H13-D15 WeakPolarHBondContact CB-OD1 3.14Å; H13-D15 PolarHBondContact O-N 3.33Å; H13-E16 HydrophobicContact CB-CG 4.11Å; H13-E16 IonicContact CD2-OE1 3.46Å; H13-E16 PolarHBondContact CD2-OE1 3.08Å; H13-E16 PolarHBondContact N-OE2 3.07Å; H13-E16 VanDerWaalsContact N-OE2 3.08Å; H13-E16 PolarHBondContact O-N 3.37Å
14D86.8Confident92.2Very high182 Ų18273.2 Ų73.297%0.97338%0.383SS*.THydrogen-bonded Turntrans-68.6-19.5-173.3-75.4-54.4000113.7
15D90.6Very high92.2Very high100 Ų10070.6 Ų70.654%0.53537%0.37SS..THydrogen-bonded Turntrans-95.90.4177.157.5-47.4000113.9H13 G46 V47H13-D15 WeakPolarHBondContact CB-OD1 3.14Å; H13-D15 PolarHBondContact O-N 3.33Å; D15-G46 CarbonylContact O-C 3.49Å; D15-G46 WeakPolarHBondContact O-CA 3.38Å; D15-V47 PolarHBondContact O-N 3.33Å
16E93.4Very high92.2Very high26 Ų2675.4 Ų75.412%0.12139%0.39CS..BIsolated β-bridgetrans-91.5151.2176.6-74172.4179.800113.4Y9 A11 L12 H13 W36 V47Y9-E16 PolarHBondContact OH-OE1 3.47Å; Y9-E16 PolarHBondContact OH-OE2 2.94Å; A11-E16 WeakPolarHBondContact CA-OE2 3Å; A11-E16 HydrophobicContact CB-CB 3.75Å; L12-E16 WeakPolarHBondContact CA-OE2 3.27Å; L12-E16 PolarHBondContact N-OE2 3.26Å; H13-E16 HydrophobicContact CB-CG 4.11Å; H13-E16 IonicContact CD2-OE1 3.46Å; H13-E16 PolarHBondContact CD2-OE1 3.08Å; H13-E16 PolarHBondContact N-OE2 3.07Å; H13-E16 VanDerWaalsContact N-OE2 3.08Å; H13-E16 PolarHBondContact O-N 3.37Å; E16-W36 HydrophobicContact CG-CH2 4.43Å; E16-W36 HydrophobicContact CG-CZ3 4.13Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.47Å; E16-V47 CarbonylContact C-O 3.48Å; E16-V47 VanDerWaalsContact CA-O 3.26Å; E16-V47 WeakPolarHBondContact CA-O 3.46Å; E16-V47 HydrophobicContact CG-CG2 3.81Å
17L92.8Very high92.1Very high6 Ų676.8 Ų76.83%0.03140%0.4CS..PPolyproline II helixtrans-94.6118.4171.6-72.1179.2000111.6L19 I25 G39 L41 K44 V47 F48L17-L19 HydrophobicContact CB-CD2 3.9Å; L17-L19 WeakPolarHBondContact O-CD2 3.43Å; L17-L19 WeakPolarHBondContact O-CG 3.34Å; L17-L19 PolarHBondContact O-N 3.31Å; L17-I25 HydrophobicContact CD1-CG2 4.09Å; L17-G39 WeakPolarHBondContact CD1-O 3.39Å; L17-L41 HydrophobicContact CD1-CB 3.69Å; L17-L41 HydrophobicContact CD2-CB 4.18Å; L17-L41 HydrophobicContact CG-CB 4.44Å; L17-K44 HydrophobicContact CD2-CB 3.89Å; L17-V47 PolarHBondContact N-O 2.79Å; L17-F48 HydrophobicContact CB-CB 4.47Å; L17-F48 HydrophobicContact CB-CD1 4.27Å; L17-F48 HydrophobicContact CD1-CD1 3.9Å; L17-F48 HydrophobicContact CD1-CE1 4.19Å
18T93.3Very high92.2Very high61 Ų6170.5 Ų70.537%0.37438%0.376SS..PPolyproline II helixtrans-64.7119.7164-59.40000109.8Y9 A11 R20 L41Y9-T18 CarbonylContact O-C 3.47Å; Y9-T18 VanDerWaalsContact O-CA 3.32Å; Y9-T18 WeakPolarHBondContact O-CA 3.17Å; A11-T18 VanDerWaalsContact CB-OG1 3.3Å; A11-T18 WeakPolarHBondContact CB-OG1 3.11Å; A11-T18 PolarHBondContact N-OG1 3.01Å; T18-R20 VanDerWaalsContact CG2-NH2 3.32Å; T18-L41 WeakPolarHBondContact O-CD2 3.45Å
19L95Very high92.1Very high0 Ų070.8 Ų70.80%037%0.372CS..BIsolated β-bridgetrans-106.9137.5-176.7-51.1-171.2000111.4V5 E8 Y9 L17 I25 L41 F48 F52 V53V5-L19 HydrophobicContact CG1-CB 3.72Å; V5-L19 HydrophobicContact CG1-CD1 4.27Å; V5-L19 HydrophobicContact CG2-CB 3.97Å; V5-L19 HydrophobicContact CG2-CD1 4.11Å; V5-L19 HydrophobicContact CG2-CD2 4.19Å; V5-L19 HydrophobicContact CG2-CG 4.33Å; E8-L19 WeakPolarHBondContact CA-O 3.35Å; Y9-L19 PolarHBondContact N-O 2.94Å; Y9-L19 PolarHBondContact O-N 3.35Å; L17-L19 HydrophobicContact CB-CD2 3.9Å; L17-L19 WeakPolarHBondContact O-CD2 3.43Å; L17-L19 WeakPolarHBondContact O-CG 3.34Å; L17-L19 PolarHBondContact O-N 3.31Å; L19-I25 HydrophobicContact CD1-CD1 4.31Å; L19-I25 HydrophobicContact CD2-CD1 3.49Å; L19-I25 VanDerWaalsContact CD2-CD1 3.49Å; L19-I25 HydrophobicContact CD2-CG1 4.32Å; L19-L41 HydrophobicContact CD2-CD2 3.9Å; L19-F48 HydrophobicContact CD1-CB 3.91Å; L19-F48 HydrophobicContact CD1-CD2 4.06Å; L19-F48 HydrophobicContact CD1-CG 4.17Å; L19-F48 HydrophobicContact CD2-CB 4.11Å; L19-F48 HydrophobicContact CD2-CG 4.21Å; L19-F48 HydrophobicContact CG-CB 4.19Å; L19-F52 HydrophobicContact CD1-CB 4.16Å; L19-V53 HydrophobicContact CD1-CG1 3.9Å
20R94.5Very high91.9Very high100 Ų10075.7 Ų75.738%0.37739%0.391SS..  trans-119.1141.4166.8-58.1-61.3175.9-150.8-14.1111.1V5 E8 D10 T18 G22 D23V5-R20 WeakPolarHBondContact CB-O 3.48Å; V5-R20 WeakPolarHBondContact CG1-O 3.42Å; E8-R20 IonicContact OE2-NH1 3.17Å; D10-R20 IonicContact OD1-CZ 3.29Å; D10-R20 IonicContact OD1-NH1 3.32Å; D10-R20 PolarHBondContact OD1-NH1 2.72Å; D10-R20 IonicContact OD1-NH2 2.66Å; D10-R20 PolarHBondContact OD1-NH2 2.9Å; T18-R20 VanDerWaalsContact CG2-NH2 3.32Å; R20-G22 PolarHBondContact O-N 3.23Å; R20-D23 WeakPolarHBondContact CB-OD2 3.32Å; R20-D23 PolarHBondContact N-OD2 3.11Å; R20-D23 VanDerWaalsContact O-CB 3.25Å; R20-D23 WeakPolarHBondContact O-CB 3.46Å; R20-D23 PolarHBondContact O-N 3.24Å
21P93.7Very high91.7Very high80 Ų8073.5 Ų73.552%0.51938%0.379SS..THydrogen-bonded Turntrans-53.4126.4-179.5-28.935.5000112.2E8E8-P21 HydrophobicContact CB-CG 4.2Å
22G88.6Confident91Very high52 Ų5280.9 Ų80.954%0.53641%0.407SS..THydrogen-bonded Turntrans94-8.1-174.500000115.7V5 R20V5-G22 PolarHBondContact O-N 3.39Å; R20-G22 PolarHBondContact O-N 3.23Å
23D94.1Very high90.4Very high41 Ų4179.1 Ų79.122%0.21940%0.395CS..  trans-61.4147.4167.9-82.5-34.8000110.9V5 R20 L41V5-D23 HydrophobicContact CB-CB 4.18Å; V5-D23 HydrophobicContact CG2-CB 3.72Å; V5-D23 PolarHBondContact N-O 2.94Å; R20-D23 WeakPolarHBondContact CB-OD2 3.32Å; R20-D23 PolarHBondContact N-OD2 3.11Å; R20-D23 VanDerWaalsContact O-CB 3.25Å; R20-D23 WeakPolarHBondContact O-CB 3.46Å; R20-D23 PolarHBondContact O-N 3.24Å; D23-L41 HydrophobicContact CB-CD1 3.91Å; D23-L41 HydrophobicContact CB-CD2 4.34Å
24I94.4Very high89.8Confident76 Ų7682.7 Ų82.739%0.3941%0.412SS..EExtended strand (participates in β ladder)trans-117110.4176-59.6174.2000109.1V3 L4 L56V3-I24 WeakPolarHBondContact O-CA 3.33Å; L4-I24 HydrophobicContact CD1-CD1 4.49Å; L4-I24 HydrophobicContact CD1-CG1 3.76Å; I24-L56 HydrophobicContact CD1-CD2 4.35Å; I24-L56 HydrophobicContact CG2-CD2 4.45Å
25I94.3Very high89.8Confident0 Ų075.6 Ų75.60%038%0.382CS..EExtended strand (participates in β ladder)trans-89136.7177.8-39.9170.9000108.7E2 V3 V5 L17 L19 V28 L41 F48 V53E2-I25 WeakPolarHBondContact CA-O 3.46Å; V3-I25 HydrophobicContact CG2-CB 3.85Å; V3-I25 HydrophobicContact CG2-CD1 4Å; V3-I25 HydrophobicContact CG2-CG1 4.13Å; V3-I25 PolarHBondContact N-O 3.31Å; V3-I25 PolarHBondContact O-N 2.64Å; V5-I25 HydrophobicContact CG2-CD1 3.98Å; V5-I25 HydrophobicContact CG2-CG1 4.04Å; L17-I25 HydrophobicContact CD1-CG2 4.09Å; L19-I25 HydrophobicContact CD1-CD1 4.31Å; L19-I25 HydrophobicContact CD2-CD1 3.49Å; L19-I25 VanDerWaalsContact CD2-CD1 3.49Å; L19-I25 HydrophobicContact CD2-CG1 4.32Å; I25-V28 HydrophobicContact CB-CG2 3.96Å; I25-V28 HydrophobicContact CG2-CG2 3.79Å; I25-L41 HydrophobicContact CG1-CB 4.33Å; I25-L41 HydrophobicContact CG1-CD1 4.36Å; I25-L41 HydrophobicContact CG1-CD2 4.37Å; I25-L41 HydrophobicContact CG2-CB 4.12Å; I25-F48 HydrophobicContact CB-CE1 4.48Å; I25-F48 HydrophobicContact CB-CZ 4.33Å; I25-F48 HydrophobicContact CD1-CD1 3.85Å; I25-F48 HydrophobicContact CD1-CD2 3.8Å; I25-F48 HydrophobicContact CD1-CE1 3.58Å; I25-F48 HydrophobicContact CD1-CE2 3.53Å; I25-F48 HydrophobicContact CD1-CG 3.95Å; I25-F48 HydrophobicContact CD1-CZ 3.42Å; I25-F48 VanDerWaalsContact CD1-CZ 3.42Å; I25-F48 HydrophobicContact CG1-CZ 4.49Å; I25-F48 HydrophobicContact CG2-CE1 3.77Å; I25-F48 HydrophobicContact CG2-CZ 4.04Å; I25-V53 HydrophobicContact CD1-CG1 3.92Å
26K94Very high89.9Confident103 Ų10373.4 Ų73.445%0.44837%0.366SS..EExtended strand (participates in β ladder)trans-114.3170.1-174.4-63.3-175.3176168.10111.5E2 V28 D40E2-K26 HydrophobicContact CG-CG 4.16Å; E2-K26 WeakPolarHBondContact OE1-CE 3.44Å; K26-V28 WeakPolarHBondContact O-CG2 3.46Å; K26-V28 PolarHBondContact O-N 3.36Å; K26-D40 PolarHBondContact N-O 3.47Å; K26-D40 PolarHBondContact O-N 3.28Å
27N91.6Very high89.9Confident110 Ų11072.4 Ų72.459%0.58836%0.361SS*.EExtended strand (participates in β ladder)trans54.819.7179.2-62.83.8000114.6M1 D40M1-N27 PolarHBondContact O-N 3.29Å; M1-N27 VanDerWaalsContact O-N 3.17Å; N27-D40 HydrophobicContact CB-CB 4.43Å; N27-D40 VanDerWaalsContact CB-OD2 3.24Å; N27-D40 WeakPolarHBondContact CB-OD2 3.44Å; N27-D40 PolarHBondContact ND2-OD2 2.67Å
28V93.8Very high90Very high7 Ų773.4 Ų73.44%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-63.4136.6-166.7179.90000111.8M1 V3 I25 K26 M37 E38 F48M1-V28 HydrophobicContact CB-CB 4.04Å; M1-V28 WeakPolarHBondContact CB-O 3.38Å; M1-V28 PolarHBondContact N-O 2.77Å; M1-V28 PolarHBondContact O-N 3.2Å; V3-V28 HydrophobicContact CG1-CB 4.35Å; V3-V28 HydrophobicContact CG1-CG1 4.17Å; V3-V28 HydrophobicContact CG1-CG2 4.27Å; V3-V28 HydrophobicContact CG2-CG2 3.96Å; I25-V28 HydrophobicContact CB-CG2 3.96Å; I25-V28 HydrophobicContact CG2-CG2 3.79Å; K26-V28 WeakPolarHBondContact O-CG2 3.46Å; K26-V28 PolarHBondContact O-N 3.36Å; V28-M37 HydrophobicContact CG1-CB 3.86Å; V28-M37 HydrophobicContact CG1-CE 3.5Å; V28-M37 HydrophobicContact CG1-CG 4.45Å; V28-M37 HydrophobicContact CG1-SD 3.92Å; V28-E38 CarbonylContact C-O 3.45Å; V28-E38 VanDerWaalsContact CA-O 3.25Å; V28-E38 WeakPolarHBondContact CA-O 3.43Å; V28-F48 HydrophobicContact CG1-CZ 3.88Å; V28-F48 HydrophobicContact CG2-CZ 4.07Å
29R90.6Very high90.1Very high135 Ų13570.6 Ų70.651%0.50935%0.349SS..EExtended strand (participates in β ladder)trans-127.2147.7170.561.3177.5175-163.2-1.6109.8M37 E38R29-M37 CarbonylContact O-C 3.5Å; R29-M37 VanDerWaalsContact O-CA 3.31Å; R29-M37 WeakPolarHBondContact O-CA 3.42Å; R29-M37 WeakPolarHBondContact O-CB 3.45Å; R29-E38 HydrophobicContact CG-CB 3.97Å; R29-E38 IonicContact CZ-OE1 2.67Å; R29-E38 VanDerWaalsContact CZ-OE1 3.29Å; R29-E38 IonicContact CZ-OE2 3Å; R29-E38 PolarHBondContact N-O 2.87Å; R29-E38 IonicContact NE-OE1 2.65Å; R29-E38 PolarHBondContact NE-OE1 2.91Å; R29-E38 IonicContact NE-OE2 2.77Å; R29-E38 PolarHBondContact NE-OE2 2.82Å; R29-E38 IonicContact NH2-OE1 3.21Å; R29-E38 PolarHBondContact NH2-OE1 3.24Å; R29-E38 IonicContact NH2-OE2 2.72Å; R29-E38 PolarHBondContact NH2-OE2 2.64Å; R29-E38 PolarHBondContact O-N 3.11Å
30Y89.7Confident90.1Very high136 Ų13672.2 Ų72.253%0.53336%0.358SS..EExtended strand (participates in β ladder)trans-67.7148.2159.1-66.1-83.2000108.9M1 M37M1-Y30 HydrophobicContact CE-CE2 4.01Å; Y30-M37 HydrophobicContact CD1-CE 4.01Å; Y30-M37 HydrophobicContact CD1-CG 4.18Å; Y30-M37 HydrophobicContact CD2-CE 4.32Å; Y30-M37 HydrophobicContact CE1-CE 3.64Å; Y30-M37 HydrophobicContact CE1-CG 4.31Å; Y30-M37 HydrophobicContact CE1-SD 4.44Å; Y30-M37 HydrophobicContact CE2-CE 3.96Å; Y30-M37 HydrophobicContact CG-CE 4.34Å
31I87.6Confident90Very high45 Ų4567.8 Ų67.823%0.23134%0.342CS..  trans-109.8172.7169.859.1172.1000109.8E33 W36 E38 V47I31-E33 HydrophobicContact CD1-CB 3.97Å; I31-E33 HydrophobicContact CG1-CB 4.13Å; I31-E33 PolarHBondContact O-N 3.37Å; I31-W36 HydrophobicContact CD1-CB 3.73Å; I31-W36 HydrophobicContact CG1-CB 3.84Å; I31-E38 HydrophobicContact CG2-CB 3.75Å; I31-V47 HydrophobicContact CD1-CB 4.36Å; I31-V47 HydrophobicContact CD1-CG1 3.81Å
32E78.1Confident89.8Confident191 Ų19170.7 Ų70.789%0.89335%0.353SS*.SBendtrans-75.7-10.7-178.1-164.9163-150.600112.8E34E32-E34 PolarHBondContact O-N 2.81Å
33E74.9Confident89.8Confident93 Ų9372.2 Ų72.244%0.43537%0.368SS..SBendtrans-80.3110.5169.7-167.9168.8-16300110.1I31 G35 W36I31-E33 HydrophobicContact CD1-CB 3.97Å; I31-E33 HydrophobicContact CG1-CB 4.13Å; I31-E33 PolarHBondContact O-N 3.37Å; E33-G35 PolarHBondContact O-N 3.36Å; E33-W36 HydrophobicContact CG-CG 4.44Å; E33-W36 PolarHBondContact O-N 2.84Å
34E74.8Confident89.7Confident193 Ų19377.7 Ų77.790%0.90239%0.39SS*.THydrogen-bonded Turntrans-58.7131.1-175-64.7-166.5139.700112.1E32E32-E34 PolarHBondContact O-N 2.81Å
35G85.8Confident89.6Confident32 Ų3280.6 Ų80.633%0.3340%0.396SS..THydrogen-bonded Turntrans86.37.1-178.100000115.3E33 P49 D50E33-G35 PolarHBondContact O-N 3.36Å; G35-P49 CarbonylContact O-C 3.49Å; G35-P49 WeakPolarHBondContact O-CA 3.48Å; G35-D50 WeakPolarHBondContact CA-OD1 3.34Å; G35-D50 PolarHBondContact O-N 3.1Å
36W93.6Very high89.6Confident55 Ų5580.9 Ų80.921%0.20840%0.399CS..EExtended strand (participates in β ladder)trans-122.5152.5177.8-67.282.7000113.6Y9 E16 I31 E33 V47 P49Y9-W36 WeakPolarHBondContact OH-CH2 3.31Å; E16-W36 HydrophobicContact CG-CH2 4.43Å; E16-W36 HydrophobicContact CG-CZ3 4.13Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.47Å; I31-W36 HydrophobicContact CD1-CB 3.73Å; I31-W36 HydrophobicContact CG1-CB 3.84Å; E33-W36 HydrophobicContact CG-CG 4.44Å; E33-W36 PolarHBondContact O-N 2.84Å; W36-V47 HydrophobicContact CE3-CB 4.08Å; W36-V47 HydrophobicContact CE3-CG2 3.94Å; W36-V47 HydrophobicContact CZ3-CG2 3.98Å; W36-P49 HydrophobicContact CE3-CG 4.23Å; W36-P49 HydrophobicContact CH2-CG 4.07Å; W36-P49 HydrophobicContact CZ2-CG 4.38Å; W36-P49 HydrophobicContact CZ3-CG 3.98Å
37M93.6Very high89.7Confident4 Ų477 Ų772%0.0238%0.384CS..EExtended strand (participates in β ladder)trans-130.1149.1172.9-48.1-177.692.300109.6M1 V3 V28 R29 Y30 V47 F48 D50 V53M1-M37 HydrophobicContact SD-CE 3.86Å; V3-M37 HydrophobicContact CG1-CE 4.36Å; V3-M37 HydrophobicContact CG1-SD 4.46Å; V28-M37 HydrophobicContact CG1-CB 3.86Å; V28-M37 HydrophobicContact CG1-CE 3.5Å; V28-M37 HydrophobicContact CG1-CG 4.45Å; V28-M37 HydrophobicContact CG1-SD 3.92Å; R29-M37 CarbonylContact O-C 3.5Å; R29-M37 VanDerWaalsContact O-CA 3.31Å; R29-M37 WeakPolarHBondContact O-CA 3.42Å; R29-M37 WeakPolarHBondContact O-CB 3.45Å; Y30-M37 HydrophobicContact CD1-CE 4.01Å; Y30-M37 HydrophobicContact CD1-CG 4.18Å; Y30-M37 HydrophobicContact CD2-CE 4.32Å; Y30-M37 HydrophobicContact CE1-CE 3.64Å; Y30-M37 HydrophobicContact CE1-CG 4.31Å; Y30-M37 HydrophobicContact CE1-SD 4.44Å; Y30-M37 HydrophobicContact CE2-CE 3.96Å; Y30-M37 HydrophobicContact CG-CE 4.34Å; M37-V47 CarbonylContact O-C 3.58Å; M37-V47 VanDerWaalsContact O-CA 3.28Å; M37-V47 WeakPolarHBondContact O-CA 3.33Å; M37-F48 HydrophobicContact CB-CD2 4.33Å; M37-F48 HydrophobicContact CB-CE1 4.32Å; M37-F48 HydrophobicContact CB-CE2 3.66Å; M37-F48 HydrophobicContact CB-CZ 3.66Å; M37-F48 HydrophobicContact CG-CE2 4.21Å; M37-F48 PolarHBondContact N-O 3.45Å; M37-F48 WeakPolarHBondContact O-CD1 3.45Å; M37-F48 PolarHBondContact O-N 3.3Å; M37-F48 HydrophobicContact SD-CE2 4.01Å; M37-F48 HydrophobicContact SD-CZ 4.46Å; M37-D50 HydrophobicContact CG-CB 3.67Å; M37-D50 HydrophobicContact SD-CB 4.04Å; M37-V53 HydrophobicContact SD-CG2 3.6Å
38E94.3Very high89.8Confident27 Ų2771.8 Ų71.813%0.12636%0.356CS..EExtended strand (participates in β ladder)trans-108.9141.4170.1-174.3-161.9132.300109.8V28 R29 I31 R45 G46 V47V28-E38 CarbonylContact C-O 3.45Å; V28-E38 VanDerWaalsContact CA-O 3.25Å; V28-E38 WeakPolarHBondContact CA-O 3.43Å; R29-E38 HydrophobicContact CG-CB 3.97Å; R29-E38 IonicContact CZ-OE1 2.67Å; R29-E38 VanDerWaalsContact CZ-OE1 3.29Å; R29-E38 IonicContact CZ-OE2 3Å; R29-E38 PolarHBondContact N-O 2.87Å; R29-E38 IonicContact NE-OE1 2.65Å; R29-E38 PolarHBondContact NE-OE1 2.91Å; R29-E38 IonicContact NE-OE2 2.77Å; R29-E38 PolarHBondContact NE-OE2 2.82Å; R29-E38 IonicContact NH2-OE1 3.21Å; R29-E38 PolarHBondContact NH2-OE1 3.24Å; R29-E38 IonicContact NH2-OE2 2.72Å; R29-E38 PolarHBondContact NH2-OE2 2.64Å; R29-E38 PolarHBondContact O-N 3.11Å; I31-E38 HydrophobicContact CG2-CB 3.75Å; E38-R45 HydrophobicContact CG-CG 4.3Å; E38-R45 WeakPolarHBondContact OE1-CD 3.26Å; E38-R45 IonicContact OE1-CZ 3.4Å; E38-R45 IonicContact OE1-NE 2.66Å; E38-R45 IonicContact OE1-NH1 3.81Å; E38-R45 PolarHBondContact OE1-NH1 2.88Å; E38-G46 WeakPolarHBondContact CA-O 3.47Å; E38-V47 HydrophobicContact CB-CG1 4.22Å; E38-V47 HydrophobicContact CG-CG1 4.35Å
39G94.8Very high89.8Confident2 Ų272.2 Ų72.22%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-161.7-177.3178.100000114L17 R45 G46L17-G39 WeakPolarHBondContact CD1-O 3.39Å; G39-R45 WeakPolarHBondContact O-CA 3.26Å; G39-G46 PolarHBondContact N-O 3.4Å; G39-G46 PolarHBondContact O-N 3.21Å; G39-G46 VanDerWaalsContact O-N 3.11Å
40D95Very high89.9Confident35 Ų3568.1 Ų68.119%0.18735%0.347CS..EExtended strand (participates in β ladder)trans-110.9110.7179.5-63.7-41.1000109.8K26 N27 K44 R45K26-D40 PolarHBondContact N-O 3.47Å; K26-D40 PolarHBondContact O-N 3.28Å; N27-D40 HydrophobicContact CB-CB 4.43Å; N27-D40 VanDerWaalsContact CB-OD2 3.24Å; N27-D40 WeakPolarHBondContact CB-OD2 3.44Å; N27-D40 PolarHBondContact ND2-OD2 2.67Å; D40-K44 CarbonylContact C-O 3.59Å; D40-K44 VanDerWaalsContact CA-O 3.3Å; D40-K44 WeakPolarHBondContact CA-O 3.44Å; D40-R45 VanDerWaalsContact CG-NH2 3.34Å; D40-R45 WeakPolarHBondContact OD1-CB 3.47Å; D40-R45 IonicContact OD1-CZ 2.76Å; D40-R45 IonicContact OD1-NE 2.65Å; D40-R45 PolarHBondContact OD1-NE 2.83Å; D40-R45 IonicContact OD1-NH2 3.81Å; D40-R45 PolarHBondContact OD1-NH2 2.87Å; D40-R45 IonicContact OD2-CZ 2.67Å; D40-R45 IonicContact OD2-NE 3.33Å; D40-R45 IonicContact OD2-NH2 2.92Å; D40-R45 PolarHBondContact OD2-NH2 2.66Å
41L93.8Very high90.1Very high7 Ų767.8 Ų67.84%0.03735%0.354CS..EExtended strand (participates in β ladder)trans-118.6127.5175178.659.2000110.1L17 T18 L19 D23 I25 G43 K44L17-L41 HydrophobicContact CD1-CB 3.69Å; L17-L41 HydrophobicContact CD2-CB 4.18Å; L17-L41 HydrophobicContact CG-CB 4.44Å; T18-L41 WeakPolarHBondContact O-CD2 3.45Å; L19-L41 HydrophobicContact CD2-CD2 3.9Å; D23-L41 HydrophobicContact CB-CD1 3.91Å; D23-L41 HydrophobicContact CB-CD2 4.34Å; I25-L41 HydrophobicContact CG1-CB 4.33Å; I25-L41 HydrophobicContact CG1-CD1 4.36Å; I25-L41 HydrophobicContact CG1-CD2 4.37Å; I25-L41 HydrophobicContact CG2-CB 4.12Å; L41-G43 PolarHBondContact O-N 3.18Å; L41-K44 PolarHBondContact N-O 3.08Å; L41-K44 PolarHBondContact O-N 3.27Å; L41-K44 VanDerWaalsContact O-O 3.12Å
42N88.4Confident90.2Very high141 Ų14168.9 Ų68.975%0.75436%0.357SS*.THydrogen-bonded Turntrans52.128.7178.2-64.9-40.1000114.6K44N42-K44 VanDerWaalsContact C-N 3.28Å; N42-K44 PolarHBondContact O-N 2.76Å
43G89.3Confident90.9Very high83 Ų8360.6 Ų60.686%0.85632%0.32SS*.THydrogen-bonded Turntrans81.4-1-178.100000115L41L41-G43 PolarHBondContact O-N 3.18Å
44K90.9Very high91.8Very high156 Ų15661.3 Ų61.368%0.67832%0.322SS*.EExtended strand (participates in β ladder)trans-91.8147.2165.2-65.6-172.1173.7-166.90109.8L17 D40 L41 N42L17-K44 HydrophobicContact CD2-CB 3.89Å; D40-K44 CarbonylContact C-O 3.59Å; D40-K44 VanDerWaalsContact CA-O 3.3Å; D40-K44 WeakPolarHBondContact CA-O 3.44Å; L41-K44 PolarHBondContact N-O 3.08Å; L41-K44 PolarHBondContact O-N 3.27Å; L41-K44 VanDerWaalsContact O-O 3.12Å; N42-K44 VanDerWaalsContact C-N 3.28Å; N42-K44 PolarHBondContact O-N 2.76Å
45R93.6Very high92.5Very high138 Ų13856 Ų5652%0.52130%0.297SS..EExtended strand (participates in β ladder)trans-104.2144.9168.4178.2163.4-70.9-146.8-0.4109.4E38 G39 D40E38-R45 HydrophobicContact CG-CG 4.3Å; E38-R45 WeakPolarHBondContact OE1-CD 3.26Å; E38-R45 IonicContact OE1-CZ 3.4Å; E38-R45 IonicContact OE1-NE 2.66Å; E38-R45 IonicContact OE1-NH1 3.81Å; E38-R45 PolarHBondContact OE1-NH1 2.88Å; G39-R45 WeakPolarHBondContact O-CA 3.26Å; D40-R45 VanDerWaalsContact CG-NH2 3.34Å; D40-R45 WeakPolarHBondContact OD1-CB 3.47Å; D40-R45 IonicContact OD1-CZ 2.76Å; D40-R45 IonicContact OD1-NE 2.65Å; D40-R45 PolarHBondContact OD1-NE 2.83Å; D40-R45 IonicContact OD1-NH2 3.81Å; D40-R45 PolarHBondContact OD1-NH2 2.87Å; D40-R45 IonicContact OD2-CZ 2.67Å; D40-R45 IonicContact OD2-NE 3.33Å; D40-R45 IonicContact OD2-NH2 2.92Å; D40-R45 PolarHBondContact OD2-NH2 2.66Å
46G93.9Very high92.6Very high5 Ų558 Ų585%0.05230%0.3CS..EExtended strand (participates in β ladder)trans178.4177.2170.700000113.1D15 E38 G39D15-G46 CarbonylContact O-C 3.49Å; D15-G46 WeakPolarHBondContact O-CA 3.38Å; E38-G46 WeakPolarHBondContact CA-O 3.47Å; G39-G46 PolarHBondContact N-O 3.4Å; G39-G46 PolarHBondContact O-N 3.21Å; G39-G46 VanDerWaalsContact O-N 3.11Å
47V95.1Very high91.7Very high22 Ų2262.8 Ų62.813%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-90.1153.3177.3-55.90000111.6D15 E16 L17 I31 W36 M37 E38D15-V47 PolarHBondContact O-N 3.33Å; E16-V47 CarbonylContact C-O 3.48Å; E16-V47 VanDerWaalsContact CA-O 3.26Å; E16-V47 WeakPolarHBondContact CA-O 3.46Å; E16-V47 HydrophobicContact CG-CG2 3.81Å; L17-V47 PolarHBondContact N-O 2.79Å; I31-V47 HydrophobicContact CD1-CB 4.36Å; I31-V47 HydrophobicContact CD1-CG1 3.81Å; W36-V47 HydrophobicContact CE3-CB 4.08Å; W36-V47 HydrophobicContact CE3-CG2 3.94Å; W36-V47 HydrophobicContact CZ3-CG2 3.98Å; M37-V47 CarbonylContact O-C 3.58Å; M37-V47 VanDerWaalsContact O-CA 3.28Å; M37-V47 WeakPolarHBondContact O-CA 3.33Å; E38-V47 HydrophobicContact CB-CG1 4.22Å; E38-V47 HydrophobicContact CG-CG1 4.35Å
48F94.9Very high90.2Very high0 Ų069.8 Ų69.80%035%0.352CS..EExtended strand (participates in β ladder)trans-157.8156.1175.455.6-87.2000110.7V3 L17 L19 I25 V28 M37 V53V3-F48 HydrophobicContact CG2-CE2 4.27Å; V3-F48 HydrophobicContact CG2-CZ 4.27Å; L17-F48 HydrophobicContact CB-CB 4.47Å; L17-F48 HydrophobicContact CB-CD1 4.27Å; L17-F48 HydrophobicContact CD1-CD1 3.9Å; L17-F48 HydrophobicContact CD1-CE1 4.19Å; L19-F48 HydrophobicContact CD1-CB 3.91Å; L19-F48 HydrophobicContact CD1-CD2 4.06Å; L19-F48 HydrophobicContact CD1-CG 4.17Å; L19-F48 HydrophobicContact CD2-CB 4.11Å; L19-F48 HydrophobicContact CD2-CG 4.21Å; L19-F48 HydrophobicContact CG-CB 4.19Å; I25-F48 HydrophobicContact CB-CE1 4.48Å; I25-F48 HydrophobicContact CB-CZ 4.33Å; I25-F48 HydrophobicContact CD1-CD1 3.85Å; I25-F48 HydrophobicContact CD1-CD2 3.8Å; I25-F48 HydrophobicContact CD1-CE1 3.58Å; I25-F48 HydrophobicContact CD1-CE2 3.53Å; I25-F48 HydrophobicContact CD1-CG 3.95Å; I25-F48 HydrophobicContact CD1-CZ 3.42Å; I25-F48 VanDerWaalsContact CD1-CZ 3.42Å; I25-F48 HydrophobicContact CG1-CZ 4.49Å; I25-F48 HydrophobicContact CG2-CE1 3.77Å; I25-F48 HydrophobicContact CG2-CZ 4.04Å; V28-F48 HydrophobicContact CG1-CZ 3.88Å; V28-F48 HydrophobicContact CG2-CZ 4.07Å; M37-F48 HydrophobicContact CB-CD2 4.33Å; M37-F48 HydrophobicContact CB-CE1 4.32Å; M37-F48 HydrophobicContact CB-CE2 3.66Å; M37-F48 HydrophobicContact CB-CZ 3.66Å; M37-F48 HydrophobicContact CG-CE2 4.21Å; M37-F48 PolarHBondContact N-O 3.45Å; M37-F48 WeakPolarHBondContact O-CD1 3.45Å; M37-F48 PolarHBondContact O-N 3.3Å; M37-F48 HydrophobicContact SD-CE2 4.01Å; M37-F48 HydrophobicContact SD-CZ 4.46Å; F48-V53 HydrophobicContact CD2-CG1 3.75Å; F48-V53 HydrophobicContact CD2-CG2 4.4Å; F48-V53 HydrophobicContact CE2-CB 4.32Å; F48-V53 HydrophobicContact CE2-CG1 3.63Å; F48-V53 HydrophobicContact CE2-CG2 3.8Å
49P93.4Very high87.6Confident16 Ų1675.2 Ų75.210%0.10438%0.382CS..EExtended strand (participates in β ladder)trans-69.4137.9-177.8-20.133.4000112.8Y9 G35 W36 N51 F52Y9-P49 HydrophobicContact CD2-CG 4.04Å; Y9-P49 HydrophobicContact CE2-CG 3.77Å; G35-P49 CarbonylContact O-C 3.49Å; G35-P49 WeakPolarHBondContact O-CA 3.48Å; W36-P49 HydrophobicContact CE3-CG 4.23Å; W36-P49 HydrophobicContact CH2-CG 4.07Å; W36-P49 HydrophobicContact CZ2-CG 4.38Å; W36-P49 HydrophobicContact CZ3-CG 3.98Å; P49-N51 PolarHBondContact O-N 3.1Å; P49-F52 HydrophobicContact CB-CD2 3.71Å; P49-F52 HydrophobicContact CB-CE2 4.22Å; P49-F52 HydrophobicContact CB-CG 4.42Å; P49-F52 HydrophobicContact CG-CD2 4.21Å; P49-F52 HydrophobicContact CG-CE2 4.47Å; P49-F52 PolarHBondContact O-N 2.82Å
50D92.8Very high85.9Confident49 Ų4980.6 Ų80.626%0.26242%0.417SS..G310 helixtrans-65.3-38.3-177.173.6-25.7000112.7G35 M37 F52 V53G35-D50 WeakPolarHBondContact CA-OD1 3.34Å; G35-D50 PolarHBondContact O-N 3.1Å; M37-D50 HydrophobicContact CG-CB 3.67Å; M37-D50 HydrophobicContact SD-CB 4.04Å; D50-F52 PolarHBondContact O-N 3.04Å; D50-F52 VanDerWaalsContact O-N 3.1Å; D50-V53 WeakPolarHBondContact O-CG2 3.41Å; D50-V53 PolarHBondContact O-N 3.03Å; D50-V53 VanDerWaalsContact O-N 3.1Å
51N92.9Very high83.6Confident130 Ų13088.3 Ų88.370%0.69545%0.448SS*.G310 helixtrans-63.8-14.1179.4-81.2-92.9000113.9P49P49-N51 PolarHBondContact O-N 3.1Å
52F91.3Very high80.8Confident67 Ų6795 Ų9529%0.29448%0.479SS..G310 helixtrans-91.4-7.6179.5-76.1-117.7000112.3E6 Y7 E8 Y9 L19 P49 D50E6-F52 PolarHBondContact N-O 2.72Å; Y7-F52 PolarHBondContact N-O 2.73Å; E8-F52 VanDerWaalsContact O-CE1 3.31Å; E8-F52 WeakPolarHBondContact O-CE1 3.35Å; Y9-F52 HydrophobicContact CD2-CD1 4.3Å; Y9-F52 HydrophobicContact CD2-CE1 4.07Å; Y9-F52 HydrophobicContact CD2-CZ 4.36Å; L19-F52 HydrophobicContact CD1-CB 4.16Å; P49-F52 HydrophobicContact CB-CD2 3.71Å; P49-F52 HydrophobicContact CB-CE2 4.22Å; P49-F52 HydrophobicContact CB-CG 4.42Å; P49-F52 HydrophobicContact CG-CD2 4.21Å; P49-F52 HydrophobicContact CG-CE2 4.47Å; P49-F52 PolarHBondContact O-N 2.82Å; D50-F52 PolarHBondContact O-N 3.04Å; D50-F52 VanDerWaalsContact O-N 3.1Å
53V92.8Very high78.6Confident18 Ų1895 Ų9511%0.10948%0.484CS..EExtended strand (participates in β ladder)trans-126.4172.4-176.6-56.20000112.7V3 L4 V5 L19 I25 M37 F48 D50V3-V53 HydrophobicContact CB-CB 3.99Å; V3-V53 HydrophobicContact CB-CG2 4.05Å; V3-V53 HydrophobicContact CG1-CG2 4.32Å; V3-V53 HydrophobicContact CG2-CB 3.69Å; V3-V53 HydrophobicContact CG2-CG1 3.93Å; V3-V53 HydrophobicContact CG2-CG2 3.85Å; L4-V53 CarbonylContact O-C 3.52Å; L4-V53 VanDerWaalsContact O-CA 3.26Å; L4-V53 WeakPolarHBondContact O-CA 3.46Å; V5-V53 HydrophobicContact CG2-CG1 4.17Å; L19-V53 HydrophobicContact CD1-CG1 3.9Å; I25-V53 HydrophobicContact CD1-CG1 3.92Å; M37-V53 HydrophobicContact SD-CG2 3.6Å; F48-V53 HydrophobicContact CD2-CG1 3.75Å; F48-V53 HydrophobicContact CD2-CG2 4.4Å; F48-V53 HydrophobicContact CE2-CB 4.32Å; F48-V53 HydrophobicContact CE2-CG1 3.63Å; F48-V53 HydrophobicContact CE2-CG2 3.8Å; D50-V53 WeakPolarHBondContact O-CG2 3.41Å; D50-V53 PolarHBondContact O-N 3.03Å; D50-V53 VanDerWaalsContact O-N 3.1Å
54K91.9Very high76.2Confident107 Ų10798.6 Ų98.647%0.46548%0.477SS..EExtended strand (participates in β ladder)trans-142.6129.4-177.4-170.6159.7-176.5164.50110.9V3 L4 E6 L56V3-K54 CarbonylContact C-O 3.48Å; V3-K54 VanDerWaalsContact CA-O 3.23Å; V3-K54 WeakPolarHBondContact CA-O 3.3Å; V3-K54 WeakPolarHBondContact CB-O 3.38Å; L4-K54 PolarHBondContact N-O 2.96Å; L4-K54 PolarHBondContact O-N 3.35Å; E6-K54 HydrophobicContact CG-CB 4.09Å; E6-K54 HydrophobicContact CG-CD 3.99Å; E6-K54 WeakPolarHBondContact OE1-CD 3.32Å; E6-K54 WeakPolarHBondContact OE1-CE 3.48Å; E6-K54 IonicContact OE1-NZ 2.63Å; E6-K54 PolarHBondContact OE1-NZ 2.66Å; E6-K54 WeakPolarHBondContact OE2-CD 3.25Å; E6-K54 IonicContact OE2-NZ 2.65Å; E6-K54 PolarHBondContact OE2-NZ 2.84Å; E6-K54 VanDerWaalsContact OE2-NZ 3.11Å; K54-L56 PolarHBondContact O-N 2.92Å
55E90.3Very high73.7Confident81 Ų8199.9 Ų99.938%0.37949%0.485SS..EExtended strand (participates in β ladder)trans-53.5115.4176.8-64.6-165.314500111.3M1 K57M1-E55 HydrophobicContact CE-CG 4.2Å; M1-E55 WeakPolarHBondContact CE-OE1 3.11Å; M1-E55 HydrophobicContact SD-CG 3.85Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.45Å; E55-K57 IonicContact OE2-NZ 2.65Å; E55-K57 PolarHBondContact OE2-NZ 3.38Å
56L87.1Confident70.9Confident75 Ų7599.8 Ų99.839%0.39350%0.5SS..  trans-85.979.7174.2-164.767.2000108.3E2 I24 K54 K58E2-L56 PolarHBondContact O-N 2.63Å; I24-L56 HydrophobicContact CD1-CD2 4.35Å; I24-L56 HydrophobicContact CG2-CD2 4.45Å; K54-L56 PolarHBondContact O-N 2.92Å; L56-K58 PolarHBondContact O-N 2.98Å
57K75.8Confident68.2Low155 Ų155110 Ų11067%0.67454%0.537SS*.  trans-56.2108176.8-73-175.1163.865.50109.4E55 D59E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.45Å; E55-K57 IonicContact OE2-NZ 2.65Å; E55-K57 PolarHBondContact OE2-NZ 3.38Å; K57-D59 PolarHBondContact O-N 3.5Å; K57-D59 VanDerWaalsContact O-N 3.1Å
58K61.6Low65.1Low151 Ų151116.2 Ų116.266%0.65757%0.569SS**  trans-8876.2-170.2-162.9173.7-157.6156.40110.9E2 L56 P60E2-K58 IonicContact OE1-NZ 2.73Å; E2-K58 PolarHBondContact OE1-NZ 2.67Å; E2-K58 WeakPolarHBondContact OE2-CD 3.07Å; E2-K58 WeakPolarHBondContact OE2-CE 3.46Å; E2-K58 IonicContact OE2-NZ 3.93Å; E2-K58 PolarHBondContact OE2-NZ 3.33Å; L56-K58 PolarHBondContact O-N 2.98Å; K58-P60 WeakPolarHBondContact O-CD 3.19Å
59D40.1Very low62.3Low141 Ų141124.8 Ų124.875%0.75461%0.609SS**  trans-55119.9179-76.6-59.4000111.8K57 K61K57-D59 PolarHBondContact O-N 3.5Å; K57-D59 VanDerWaalsContact O-N 3.1Å; D59-K61 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 3.38Å
60P59.4Low60.4Low115 Ų115128.7 Ų128.775%0.74764%0.635SS**SBendtrans-85.770.3-169.134.1-36.6000112.5K58K58-P60 WeakPolarHBondContact O-CD 3.19Å
61K45.6Very low57.3Low197 Ų197134.6 Ų134.686%0.85766%0.658SS**  trans167.7126.7148.2-91.2146.4-166.2171.20112.5D59D59-K61 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 3.38Å
62E36.5Very low54.3Low147 Ų147135.9 Ų135.969%0.68766%0.66SS**  -165.3118.9111.4-99.5-145.78300110K64E62-K64 WeakPolarHBondContact OE1-CE 3.03Å; E62-K64 IonicContact OE1-NZ 2.84Å; E62-K64 PolarHBondContact OE1-NZ 2.99Å; E62-K64 IonicContact OE2-NZ 3.75Å; E62-K64 PolarHBondContact OE2-NZ 3.47Å
63V40.4Very low51.6Low141 Ų141140.2 Ų140.286%0.85568%0.681SS**  trans-106.7111.4168.1177.10000107.2
64K40.3Very low48.9Very low160 Ų160145.3 Ų145.370%0.69672%0.715SS**  trans-105.289.5174.7-77-169.417374.20110.6E62E62-K64 WeakPolarHBondContact OE1-CE 3.03Å; E62-K64 IonicContact OE1-NZ 2.84Å; E62-K64 PolarHBondContact OE1-NZ 2.99Å; E62-K64 IonicContact OE2-NZ 3.75Å; E62-K64 PolarHBondContact OE2-NZ 3.47Å
65E37.9Very low45.8Very low182 Ų182143.5 Ų143.585%0.8573%0.726SS**  trans-129.1164.9157.1-73.7-155.6120.100110.6
66T34.7Very low43.1Very low137 Ų137148.4 Ų148.484%0.8475%0.749SS**  trans-99.4123.5-144.753.90000116.4
67R37.6Very low41.1Very low220 Ų220149.5 Ų149.583%0.8376%0.761SS**  trans27.7110.7137.5-177.3-169.8172.4167.63.7117.7
68N30.4Very low39Very low152 Ų152151.4 Ų151.481%0.81377%0.772SS**  -167.2158.3116.5-93.8-38.3000112
69E36.4Very low37.5Very low179 Ų179148.1 Ų148.184%0.83678%0.781SS**  trans-119.8179.4-173.9-102.4-167.680.700110.3
70P53.1Low37.6Very low98 Ų98153 Ų15364%0.63679%0.788SS**  cis-136.5177.9-39.637.8-22.4000112.3
71K27.3Very low36.7Very low174 Ų174157.1 Ų157.176%0.75780%0.798SS**  trans-180148.4135-107.3160.6162.3-99.80117.3
72E28.9Very low36.8Very low156 Ų156152.5 Ų152.573%0.72979%0.791SS**  trans63.9100.7148.8-74.4165.8105.600121.4
73E35.4Very low37.2Very low159 Ų159150.5 Ų150.574%0.74379%0.793SS**  trans-63.8166.8137.3-122.9-143.8105.100110.2G75E73-G75 PolarHBondContact OE1-N 3.1Å; E73-G75 VanDerWaalsContact OE1-N 3.16Å
74P36.1Very low37.6Very low125 Ų125148.8 Ų148.881%0.81278%0.782SS**  cis-141.3165.24340.4-21.8000118.2
75G27.5Very low38.1Very low68 Ų68144.4 Ų144.470%0.70178%0.776SS**  trans160100.1157.500000119E73E73-G75 PolarHBondContact OE1-N 3.1Å; E73-G75 VanDerWaalsContact OE1-N 3.16Å
76Q32.5Very low38.7Very low184 Ų184141.8 Ų141.886%0.8677%0.768SS**  trans-126.7168164.9-96.2-166.52200109.6
77P46Very low39.6Very low99 Ų99140.5 Ų140.564%0.64376%0.755SS**  cis-138-164.9-18.633.2-11000113.5
78Q31.6Very low40.4Very low195 Ų195134.2 Ų134.291%0.91174%0.741SS**  trans76.4136.3160.4-65.4-174.6-5.800120.1
79G29.1Very low41.5Very low81 Ų81135.8 Ų135.884%0.83574%0.74SS**  trans159116.2169.900000111.2
80R43.5Very low42.2Very low243 Ų243136.7 Ų136.792%0.91774%0.736SS**  trans-101.3141.2173.2-62.7172.6177.4133.9-4.4108.7
81E39.7Very low42.1Very low202 Ų202138 Ų13894%0.94474%0.737SS**  -174159.7129.6-105.7175.2128.400112.7
82S47Very low43Very low101 Ų101134.3 Ų134.371%0.70673%0.733SS**  trans-104.1115.5-169.3-175.40000112.6V84S82-V84 PolarHBondContact O-N 2.93Å
83S44.7Very low44Very low105 Ų105133.5 Ų133.573%0.73474%0.738SS**  trans-82.274.9178.4-76.80000113A85S83-A85 PolarHBondContact O-N 3.48Å
84V50.3Low44.5Very low105 Ų105133.5 Ų133.564%0.63674%0.741SS**THydrogen-bonded Turntrans-56.6-16.4174.3-69.60000114.8S82 N86 L87S82-V84 PolarHBondContact O-N 2.93Å; V84-N86 VanDerWaalsContact C-N 3.31Å; V84-N86 PolarHBondContact O-N 3.27Å; V84-L87 PolarHBondContact O-N 3.39Å; V84-L87 VanDerWaalsContact O-N 3.15Å
85A50.5Low44.4Very low68 Ų68131.1 Ų131.156%0.56274%0.74SS**Hα-helixtrans-58.1-33.8-177.200000114.9S83 L87S83-A85 PolarHBondContact O-N 3.48Å; A85-L87 VanDerWaalsContact C-N 3.3Å; A85-L87 PolarHBondContact O-N 3.3Å
86N50.2Low45Very low127 Ų127135 Ų13568%0.67974%0.743SS**Hα-helixtrans-81.9-4-179-79.1-23.1000114.3V84V84-N86 VanDerWaalsContact C-N 3.31Å; V84-N86 PolarHBondContact O-N 3.27Å
87L54.4Low45.4Very low109 Ų109132.1 Ų132.157%0.57174%0.74SS**Hα-helixtrans-90.5-47.9170.3-17359.1000110.9V84 A85 K89 R90V84-L87 PolarHBondContact O-N 3.39Å; V84-L87 VanDerWaalsContact O-N 3.15Å; A85-L87 VanDerWaalsContact C-N 3.3Å; A85-L87 PolarHBondContact O-N 3.3Å; L87-K89 PolarHBondContact O-N 3.44Å; L87-K89 VanDerWaalsContact O-N 3.16Å; L87-R90 PolarHBondContact O-N 2.92Å
88V54.1Low44.8Very low88 Ų88134.1 Ų134.153%0.53375%0.751SS.*Hα-helixtrans-54.8-37.5-178.9-179.90000112R90 I91V88-R90 PolarHBondContact O-N 2.87Å; V88-R90 VanDerWaalsContact O-N 3.11Å; V88-I91 WeakPolarHBondContact O-CG1 3.47Å; V88-I91 PolarHBondContact O-N 2.92Å
89K52.4Low45Very low185 Ų185128.6 Ų128.680%0.80475%0.746SS**THydrogen-bonded Turntrans-70.3-3.1-178.9-133.2172.7-173.2176.80115.4L87L87-K89 PolarHBondContact O-N 3.44Å; L87-K89 VanDerWaalsContact O-N 3.16Å
90R52.7Low45.1Very low199 Ų199128.5 Ų128.575%0.75175%0.745SS**THydrogen-bonded Turntrans-108.3-6.7175.8-78-170.7-74.8164.8-3.1114.9L87 V88L87-R90 PolarHBondContact O-N 2.92Å; V88-R90 PolarHBondContact O-N 2.87Å; V88-R90 VanDerWaalsContact O-N 3.11Å
91I49.8Very low44.7Very low126 Ų126127.3 Ų127.365%0.64675%0.747SS**SBendtrans-113.236-173.852.5172.8000113V88V88-I91 WeakPolarHBondContact O-CG1 3.47Å; V88-I91 PolarHBondContact O-N 2.92Å
92S45.4Very low44.6Very low96 Ų96125.4 Ų125.467%0.67174%0.738SS**  trans-134.825.1-177.5-53.90000114.5
93V50.3Low44.8Very low139 Ų139126 Ų12684%0.84274%0.74SS**SBendtrans-13058.1173.6-166.40000110.8
94I46.8Very low43.9Very low158 Ų158129.6 Ų129.681%0.8175%0.747SS**  trans-164.2116.8148.2-93.4141.5000105I96I94-I96 HydrophobicContact CG2-CG1 4.33Å
95G34.8Very low43.2Very low76 Ų76129.3 Ų129.378%0.78475%0.747SS**  trans-109.1122.3179.600000110.6
96I39.3Very low42.8Very low149 Ų149132.3 Ų132.376%0.76476%0.761SS**  trans-106.7112.3175.4-57175.5000108.6I94 T98I94-I96 HydrophobicContact CG2-CG1 4.33Å; I96-T98 PolarHBondContact O-N 2.96Å
97P39.8Very low42Very low124 Ų124130.8 Ų130.881%0.80577%0.766SS**  trans-82.9110.2172.630.9-31000111.2
98T35.1Very low41.5Very low141 Ų141130 Ų13087%0.86578%0.775SS**  trans-48.1126.4175.6-53.80000115.9I96I96-T98 PolarHBondContact O-N 2.96Å
99G34.4Very low41.1Very low78 Ų78131.1 Ų131.180%0.80479%0.787SS**  trans90.1126.6136.500000119.7
100G32.2Very low40.7Very low79 Ų79132 Ų13281%0.81479%0.791SS**  trans167.495.7165.500000115.2
101F34.3Very low40.5Very low218 Ų218131.3 Ų131.396%0.95679%0.793SS**  trans-81.6125.9174.1-91.9-96.6000112.8
102Q37.2Very low40.6Very low162 Ų162130.8 Ų130.876%0.75780%0.798SS**  trans-153.3149.4137.3-85.5-127.2-91.800109.7
103P52Low41.2Very low115 Ų115134.6 Ų134.675%0.74780%0.803SS**  trans-93.3153.6-169.936.2-35.8000114.3
104M26.9Very low42.2Very low180 Ų180134.3 Ų134.389%0.88779%0.787SS**  trans-147178.8159-140.1-167-83.100110.2
105P35.2Very low44.2Very low99 Ų99132.4 Ų132.464%0.64377%0.769SS**  -73.4167.9-124.239.5-31.8000114.3A107P105-A107 PolarHBondContact O-N 3Å
106P41Very low46.9Very low131 Ų131132.6 Ų132.685%0.85175%0.749SS**  trans-56.5109.417024.8-35000110.4A108P106-A108 PolarHBondContact O-N 2.78Å
107A34.9Very low49.5Very low95 Ų95125.5 Ų125.579%0.78571%0.713SS**  trans-63.8121.617600000109.1P105 S109P105-A107 PolarHBondContact O-N 3Å; A107-S109 PolarHBondContact O-N 3.22Å
108A43.9Very low52.1Low91 Ų91124.1 Ų124.175%0.75269%0.694SS**  trans-55.4139.6173.500000109.7P106 K110P106-A108 PolarHBondContact O-N 2.78Å; A108-K110 PolarHBondContact O-N 2.95Å
109S44Very low55Low113 Ų113117.4 Ų117.479%0.7965%0.653SS**  trans-56.1111.3-178.138.50000110.3A107 K111A107-S109 PolarHBondContact O-N 3.22Å; S109-K111 VanDerWaalsContact C-N 3.34Å; S109-K111 PolarHBondContact O-N 2.8Å
110K44.7Very low57.8Low203 Ų203117.4 Ų117.488%0.88364%0.635SS**  trans-62.999.3169.5-70.9-175.5179.2-179.30106.9A108A108-K110 PolarHBondContact O-N 2.95Å
111K49.4Very low60.6Low184 Ų184119.3 Ų119.380%0.862%0.621SS**PPolyproline II helixtrans-52.2138.1170.5-60.8179.9-178.5-179.50107.7S109 K113S109-K111 VanDerWaalsContact C-N 3.34Å; S109-K111 PolarHBondContact O-N 2.8Å; K111-K113 PolarHBondContact O-N 2.86Å
112P50.7Low63.4Low116 Ų116113.9 Ų113.975%0.75360%0.601SS**PPolyproline II helixtrans-54.6139171.524.4-33.1000108.8R114P112-R114 PolarHBondContact O-N 3.44Å; P112-R114 VanDerWaalsContact O-N 3.12Å
113K58.6Low66.1Low176 Ų176107.9 Ų107.977%0.76557%0.572SS**PPolyproline II helixtrans-59.1118.5171.1-71.7-174.6173.9-169.60106.7K111 R115K111-K113 PolarHBondContact O-N 2.86Å; K113-R115 PolarHBondContact O-N 3.07Å
114R70.6Confident68Low133 Ų133109.7 Ų109.750%0.50257%0.571SS.*PPolyproline II helixtrans-66.8124.9174.8-68.4-170.1164.5-155.4-15.5108.1P112 D140P112-R114 PolarHBondContact O-N 3.44Å; P112-R114 VanDerWaalsContact O-N 3.12Å; R114-D140 WeakPolarHBondContact CD-OD2 3.28Å; R114-D140 IonicContact CZ-OD2 3.79Å; R114-D140 IonicContact NE-OD2 3.78Å; R114-D140 IonicContact NH1-OD2 3.93Å; R114-D140 PolarHBondContact NH1-OD2 2.96Å
115R88.6Confident71Confident118 Ų118103.9 Ų103.945%0.44555%0.547SS..PPolyproline II helixtrans-63.1132.3162.8-74.4169.573-175.44106.3K113 I141 E168K113-R115 PolarHBondContact O-N 3.07Å; R115-I141 HydrophobicContact CB-CB 4.04Å; R115-I141 HydrophobicContact CB-CD1 4.08Å; R115-I141 PolarHBondContact O-N 3.37Å; R115-E168 IonicContact CZ-OE1 3.28Å; R115-E168 IonicContact CZ-OE2 2.71Å; R115-E168 IonicContact NE-OE1 3.13Å; R115-E168 IonicContact NE-OE2 2.69Å; R115-E168 PolarHBondContact NE-OE2 2.91Å; R115-E168 IonicContact NH2-OE1 3.36Å; R115-E168 PolarHBondContact NH2-OE1 2.83Å; R115-E168 IonicContact NH2-OE2 3.67Å; R115-E168 PolarHBondContact NH2-OE2 2.73Å; R115-E168 VanDerWaalsContact NH2-OE2 3.13Å
116Q93Very high73.5Confident79 Ų79104.6 Ų104.637%0.36955%0.549SS..EExtended strand (participates in β ladder)trans-120.9143.2178.5-62.8-165-62.700108.8V138 V139 D140 L169Q116-V138 HydrophobicContact CB-CG1 4.15Å; Q116-V139 WeakPolarHBondContact CA-O 3.41Å; Q116-D140 WeakPolarHBondContact CG-OD1 3.19Å; Q116-D140 PolarHBondContact NE2-OD1 3.03Å; Q116-L169 PolarHBondContact O-N 2.6Å
117C93.4Very high75.7Confident0 Ų0102.8 Ų102.80%053%0.532CS..EExtended strand (participates in β ladder)trans-131.1150.1174.261.10000110.7V138 V139 I141 W150 V166 K167 E168C117-V138 CarbonylContact O-C 3.39Å; C117-V138 WeakPolarHBondContact O-CA 3.2Å; C117-V139 PolarHBondContact N-O 2.86Å; C117-V139 PolarHBondContact O-N 2.85Å; C117-I141 HydrophobicContact CB-CD1 3.92Å; C117-I141 HydrophobicContact CB-CG1 4.28Å; C117-W150 HydrophobicContact CB-CZ3 4.31Å; C117-V166 HydrophobicContact CB-CB 3.9Å; C117-V166 HydrophobicContact CB-CG2 3.9Å; C117-K167 CarbonylContact C-O 3.49Å; C117-K167 VanDerWaalsContact CA-O 3.23Å; C117-K167 WeakPolarHBondContact CA-O 3.18Å; C117-K167 WeakPolarHBondContact CB-O 3.03Å; C117-E168 HydrophobicContact CB-CG 4.36Å
118K94.3Very high78.2Confident95 Ų95108.1 Ų108.141%0.41354%0.541SS..EExtended strand (participates in β ladder)trans-103.9130.4176.5-178.2175.7-177.2177.10109.5L120 D137 V138 V166 K167 L169K118-L120 PolarHBondContact O-N 2.91Å; K118-D137 CarbonylContact C-O 3.4Å; K118-D137 WeakPolarHBondContact CA-O 3.49Å; K118-V138 HydrophobicContact CB-CG2 4.48Å; K118-V166 CarbonylContact O-C 3.5Å; K118-V166 WeakPolarHBondContact O-CA 3.46Å; K118-K167 PolarHBondContact N-O 2.95Å; K118-K167 PolarHBondContact O-N 3.33Å; K118-L169 HydrophobicContact CB-CD1 3.43Å; K118-L169 VanDerWaalsContact CB-CD1 3.43Å
119V95.4Very high80.3Confident1 Ų1108 Ų1081%0.00653%0.528CS..EExtended strand (participates in β ladder)trans-66.2125.1177-177.40000110.2F121 L133 K134 G136 D137 V139 V166V119-F121 WeakPolarHBondContact CG1-O 3.4Å; V119-L133 HydrophobicContact CG1-CB 3.77Å; V119-L133 HydrophobicContact CG1-CD1 4.33Å; V119-L133 HydrophobicContact CG2-CB 3.91Å; V119-L133 HydrophobicContact CG2-CD1 4.19Å; V119-L133 HydrophobicContact CG2-CD2 4.05Å; V119-L133 HydrophobicContact CG2-CG 4.29Å; V119-K134 VanDerWaalsContact CB-O 3.24Å; V119-K134 WeakPolarHBondContact CB-O 3.41Å; V119-K134 VanDerWaalsContact CG1-C 3.48Å; V119-K134 VanDerWaalsContact CG1-O 3.3Å; V119-K134 WeakPolarHBondContact CG1-O 2.93Å; V119-G136 PolarHBondContact O-N 2.87Å; V119-D137 HydrophobicContact CB-CB 4.42Å; V119-D137 HydrophobicContact CG2-CB 3.92Å; V119-D137 PolarHBondContact N-O 3.22Å; V119-V139 HydrophobicContact CG2-CG2 3.94Å; V119-V166 HydrophobicContact CG2-CG1 4.16Å
120L93Very high82.7Confident78 Ų78103.7 Ų103.741%0.40850%0.495SS..SBendtrans-95.9-30.5173.6-61.7-172.9000112.4K118 V135 F165 K167K118-L120 PolarHBondContact O-N 2.91Å; L120-V135 WeakPolarHBondContact O-CG1 3.23Å; L120-F165 PolarHBondContact N-O 3.02Å; L120-K167 HydrophobicContact CD1-CB 3.87Å; L120-K167 HydrophobicContact CD2-CB 4.3Å; L120-K167 HydrophobicContact CG-CB 4.07Å
121F92.5Very high84.9Confident119 Ų11994.1 Ų94.152%0.52245%0.453SS..SBendtrans-133.9142-176-60.8-70.2000110.7V119 F165V119-F121 WeakPolarHBondContact CG1-O 3.4Å; F121-F165 HydrophobicContact CB-CB 4.36Å; F121-F165 HydrophobicContact CB-CD1 3.5Å; F121-F165 HydrophobicContact CB-CE1 3.98Å; F121-F165 HydrophobicContact CB-CG 4.08Å; F121-F165 PolarHBondContact N-O 3.11Å
122D93Very high87Confident103 Ų10388 Ų8855%0.55143%0.427SS*.  trans-71.2139.5177.755.3-54.7000111.8L133 V135 F165D122-L133 WeakPolarHBondContact CA-O 3.32Å; D122-V135 HydrophobicContact CB-CG2 4.31Å; D122-F165 WeakPolarHBondContact O-CE1 3.34Å
123Y92.3Very high89.1Confident36 Ų3682.5 Ų82.514%0.14139%0.392CS..BIsolated β-bridgetrans-130.9128.3-178.8-169.4-103.8000110.5E130 E132 L133 W149 P162 F165Y123-E130 WeakPolarHBondContact CE1-OE2 3.26Å; Y123-E130 PolarHBondContact OH-OE2 2.86Å; Y123-E130 VanDerWaalsContact OH-OE2 3.04Å; Y123-E132 WeakPolarHBondContact O-CA 3.3Å; Y123-L133 PolarHBondContact N-O 2.98Å; Y123-L133 PolarHBondContact O-N 2.85Å; Y123-W149 WeakPolarHBondContact OH-CH2 3.39Å; Y123-P162 HydrophobicContact CD2-CG 3.64Å; Y123-P162 HydrophobicContact CE2-CG 3.7Å; Y123-P162 HydrophobicContact CG-CG 4.08Å; Y123-F165 HydrophobicContact CD2-CD1 4.06Å; Y123-F165 AromaticContact CD2-CE1 3.93Å; Y123-F165 HydrophobicContact CD2-CE1 3.93Å; Y123-F165 HydrophobicContact CD2-CZ 4.27Å; Y123-F165 HydrophobicContact CG-CD1 4.49Å
124Q92.1Very high90.8Very high153 Ų15379.1 Ų79.172%0.71538%0.377SS*.  trans-104.3125.9175.7-64.9-176.71600108.7
125P91.4Very high91.9Very high59 Ų5977.3 Ų77.338%0.38338%0.38SS..  trans-68.9133.8-17729.2-34.1000110.5E130 E132P125-E130 WeakPolarHBondContact CA-OE2 3.44Å; P125-E130 HydrophobicContact CB-CB 3.48Å; P125-E130 VanDerWaalsContact CB-CB 3.48Å; P125-E132 HydrophobicContact CG-CB 4.17Å
126V87.1Confident92Very high114 Ų11473.4 Ų73.469%0.69138%0.377SS*.SBendtrans-91.5-37.4177.7-174.90000110.7E130V126-E130 PolarHBondContact N-OE2 3.02Å
127N86.9Confident92Very high93 Ų9372 Ų7250%0.49737%0.372SS..SBendtrans-111.3166.4176.5-59-77000112.3D129 E130N127-D129 VanDerWaalsContact C-N 3.25Å; N127-D129 VanDerWaalsContact CB-OD1 3.25Å; N127-D129 WeakPolarHBondContact CB-OD1 3.38Å; N127-D129 PolarHBondContact O-N 2.83Å; N127-E130 HydrophobicContact CB-CG 4.38Å; N127-E130 WeakPolarHBondContact CB-OE1 3.35Å; N127-E130 PolarHBondContact N-OE1 3.33Å; N127-E130 VanDerWaalsContact N-OE1 3.14Å; N127-E130 PolarHBondContact ND2-OE1 2.65Å; N127-E130 PolarHBondContact O-N 2.92Å
128E87.1Confident92Very high207 Ų20775.1 Ų75.197%0.96739%0.391SS*.THydrogen-bonded Turntrans-72.2-17.9-176-63.2-170.1156.700113.7
129D88.9Confident91.9Very high89 Ų8970.6 Ų70.648%0.47637%0.371SS..THydrogen-bonded Turntrans-89.7-2.2177.152.5-68.7000114.1N127 G159 L160N127-D129 VanDerWaalsContact C-N 3.25Å; N127-D129 VanDerWaalsContact CB-OD1 3.25Å; N127-D129 WeakPolarHBondContact CB-OD1 3.38Å; N127-D129 PolarHBondContact O-N 2.83Å; D129-G159 CarbonylContact O-C 3.56Å; D129-G159 WeakPolarHBondContact O-CA 3.34Å; D129-L160 PolarHBondContact O-N 2.71Å
130E92.9Very high91.9Very high22 Ų2272 Ų7210%0.10338%0.379CS..BIsolated β-bridgetrans-93152.1-179.1-71.4171.4-140.200113.9Y123 P125 V126 N127 W149 L160Y123-E130 WeakPolarHBondContact CE1-OE2 3.26Å; Y123-E130 PolarHBondContact OH-OE2 2.86Å; Y123-E130 VanDerWaalsContact OH-OE2 3.04Å; P125-E130 WeakPolarHBondContact CA-OE2 3.44Å; P125-E130 HydrophobicContact CB-CB 3.48Å; P125-E130 VanDerWaalsContact CB-CB 3.48Å; V126-E130 PolarHBondContact N-OE2 3.02Å; N127-E130 HydrophobicContact CB-CG 4.38Å; N127-E130 WeakPolarHBondContact CB-OE1 3.35Å; N127-E130 PolarHBondContact N-OE1 3.33Å; N127-E130 VanDerWaalsContact N-OE1 3.14Å; N127-E130 PolarHBondContact ND2-OE1 2.65Å; N127-E130 PolarHBondContact O-N 2.92Å; E130-W149 HydrophobicContact CG-CZ3 4.26Å; E130-L160 CarbonylContact C-O 3.55Å; E130-L160 VanDerWaalsContact CA-O 3.24Å; E130-L160 WeakPolarHBondContact CA-O 3.47Å
131L92.4Very high91.9Very high2 Ų269 Ų691%0.0136%0.363CS..PPolyproline II helixtrans-102.8118.4-176.6-168.666.3000112L133 V139 L154 R157 L160 F161L131-L133 HydrophobicContact CD2-CD2 4.14Å; L131-L133 HydrophobicContact CG-CD2 4.23Å; L131-L133 PolarHBondContact O-N 2.97Å; L131-V139 HydrophobicContact CD2-CG1 3.83Å; L131-L154 HydrophobicContact CD1-CB 4.26Å; L131-L154 HydrophobicContact CD2-CB 3.89Å; L131-L154 HydrophobicContact CG-CB 4.34Å; L131-R157 HydrophobicContact CD1-CB 3.86Å; L131-L160 PolarHBondContact N-O 3.03Å; L131-F161 HydrophobicContact CB-CB 4.38Å; L131-F161 HydrophobicContact CB-CD1 4.15Å; L131-F161 HydrophobicContact CD2-CD1 3.76Å; L131-F161 HydrophobicContact CD2-CE1 4.09Å
132E93.8Very high91.8Very high54 Ų5467.4 Ų67.425%0.25236%0.359SS..PPolyproline II helixtrans-62.8119.4170.9-178-163.6177.700111.3Y123 P125 K134 R157Y123-E132 WeakPolarHBondContact O-CA 3.3Å; P125-E132 HydrophobicContact CG-CB 4.17Å; E132-K134 WeakPolarHBondContact OE1-CE 3.39Å; E132-K134 IonicContact OE1-NZ 2.73Å; E132-K134 PolarHBondContact OE1-NZ 2.83Å; E132-R157 IonicContact OE2-CZ 2.68Å; E132-R157 IonicContact OE2-NH1 4Å; E132-R157 PolarHBondContact OE2-NH1 3.34Å; E132-R157 IonicContact OE2-NH2 3.33Å; E132-R157 PolarHBondContact OE2-NH2 3.25Å
133L94.1Very high91.5Very high1 Ų168.4 Ų68.41%0.00536%0.361CS..BIsolated β-bridgetrans-110.4144.5178.6-54.4-174.6000111.6V119 D122 Y123 L131 V139 L154 F161 F165 V166V119-L133 HydrophobicContact CG1-CB 3.77Å; V119-L133 HydrophobicContact CG1-CD1 4.33Å; V119-L133 HydrophobicContact CG2-CB 3.91Å; V119-L133 HydrophobicContact CG2-CD1 4.19Å; V119-L133 HydrophobicContact CG2-CD2 4.05Å; V119-L133 HydrophobicContact CG2-CG 4.29Å; D122-L133 WeakPolarHBondContact CA-O 3.32Å; Y123-L133 PolarHBondContact N-O 2.98Å; Y123-L133 PolarHBondContact O-N 2.85Å; L131-L133 HydrophobicContact CD2-CD2 4.14Å; L131-L133 HydrophobicContact CG-CD2 4.23Å; L131-L133 PolarHBondContact O-N 2.97Å; L133-V139 HydrophobicContact CD2-CG2 3.83Å; L133-L154 HydrophobicContact CD2-CD2 4.43Å; L133-F161 HydrophobicContact CD1-CB 3.8Å; L133-F161 HydrophobicContact CD1-CD2 3.84Å; L133-F161 HydrophobicContact CD1-CG 3.98Å; L133-F161 HydrophobicContact CD2-CB 4.16Å; L133-F161 HydrophobicContact CD2-CD1 4.38Å; L133-F161 HydrophobicContact CD2-CD2 4.49Å; L133-F161 HydrophobicContact CD2-CG 4.09Å; L133-F161 HydrophobicContact CG-CB 4.03Å; L133-F161 HydrophobicContact CG-CG 4.37Å; L133-F165 HydrophobicContact CD1-CB 4.15Å; L133-V166 HydrophobicContact CD1-CG1 3.89Å
134K93.5Very high91.3Very high106 Ų10668.8 Ų68.846%0.46136%0.364SS..  trans-129.9141.1170.3-67.4167.8-178142.60111.5V119 E132 G136 D137V119-K134 VanDerWaalsContact CB-O 3.24Å; V119-K134 WeakPolarHBondContact CB-O 3.41Å; V119-K134 VanDerWaalsContact CG1-C 3.48Å; V119-K134 VanDerWaalsContact CG1-O 3.3Å; V119-K134 WeakPolarHBondContact CG1-O 2.93Å; E132-K134 WeakPolarHBondContact OE1-CE 3.39Å; E132-K134 IonicContact OE1-NZ 2.73Å; E132-K134 PolarHBondContact OE1-NZ 2.83Å; K134-G136 PolarHBondContact O-N 3.07Å; K134-G136 VanDerWaalsContact O-N 3.14Å; K134-D137 WeakPolarHBondContact CB-OD2 3.28Å; K134-D137 PolarHBondContact N-OD2 2.96Å; K134-D137 VanDerWaalsContact O-CB 3.3Å; K134-D137 WeakPolarHBondContact O-CB 3.42Å; K134-D137 PolarHBondContact O-N 3.04Å
135V94.3Very high90.8Very high94 Ų9465 Ų6557%0.5735%0.351SS*.THydrogen-bonded Turntrans-50.5119.4-177.6-176.20000111.2L120 D122L120-V135 WeakPolarHBondContact O-CG1 3.23Å; D122-V135 HydrophobicContact CB-CG2 4.31Å
136G89.6Confident90.2Very high36 Ų3668.7 Ų68.737%0.37136%0.363SS..THydrogen-bonded Turntrans100.1-15.6-179.600000115.8V119 K134V119-G136 PolarHBondContact O-N 2.87Å; K134-G136 PolarHBondContact O-N 3.07Å; K134-G136 VanDerWaalsContact O-N 3.14Å
137D93.2Very high89.8Confident51 Ų5165.9 Ų65.927%0.27334%0.342SS..  trans-61.4154.6172.9-76.1-20.1000111.2K118 V119 K134 L154K118-D137 CarbonylContact C-O 3.4Å; K118-D137 WeakPolarHBondContact CA-O 3.49Å; V119-D137 HydrophobicContact CB-CB 4.42Å; V119-D137 HydrophobicContact CG2-CB 3.92Å; V119-D137 PolarHBondContact N-O 3.22Å; K134-D137 WeakPolarHBondContact CB-OD2 3.28Å; K134-D137 PolarHBondContact N-OD2 2.96Å; K134-D137 VanDerWaalsContact O-CB 3.3Å; K134-D137 WeakPolarHBondContact O-CB 3.42Å; K134-D137 PolarHBondContact O-N 3.04Å; D137-L154 HydrophobicContact CB-CD1 4.01Å; D137-L154 HydrophobicContact CB-CD2 4.09Å
138V93.8Very high89.7Confident64 Ų6461.9 Ų61.939%0.38832%0.323SS..EExtended strand (participates in β ladder)trans-117.6122.5175.61800000109.2Q116 C117 K118 L154Q116-V138 HydrophobicContact CB-CG1 4.15Å; C117-V138 CarbonylContact O-C 3.39Å; C117-V138 WeakPolarHBondContact O-CA 3.2Å; K118-V138 HydrophobicContact CB-CG2 4.48Å; V138-L154 VanDerWaalsContact O-CD1 3.29Å; V138-L154 WeakPolarHBondContact O-CD1 3.35Å
139V93.6Very high90Very high0 Ų055.9 Ų55.90%029%0.292CS..EExtended strand (participates in β ladder)trans-106.7135.8-177.7-168.50000109.2Q116 C117 V119 L131 L133 I141 L154 F161Q116-V139 WeakPolarHBondContact CA-O 3.41Å; C117-V139 PolarHBondContact N-O 2.86Å; C117-V139 PolarHBondContact O-N 2.85Å; V119-V139 HydrophobicContact CG2-CG2 3.94Å; L131-V139 HydrophobicContact CD2-CG1 3.83Å; L133-V139 HydrophobicContact CD2-CG2 3.83Å; V139-I141 PolarHBondContact O-N 3.2Å; V139-L154 HydrophobicContact CG1-CB 4.29Å; V139-L154 HydrophobicContact CG2-CB 4.25Å; V139-L154 HydrophobicContact CG2-CD1 4.44Å; V139-L154 HydrophobicContact CG2-CD2 4.32Å; V139-F161 HydrophobicContact CB-CZ 4.4Å; V139-F161 HydrophobicContact CG1-CE1 3.7Å; V139-F161 HydrophobicContact CG1-CZ 3.94Å
140D93.7Very high90.3Very high32 Ų3252.7 Ų52.717%0.17127%0.273CS..EExtended strand (participates in β ladder)trans-78.9113.8166-76.9-10000108.5R114 Q116 G152 S153R114-D140 WeakPolarHBondContact CD-OD2 3.28Å; R114-D140 IonicContact CZ-OD2 3.79Å; R114-D140 IonicContact NE-OD2 3.78Å; R114-D140 IonicContact NH1-OD2 3.93Å; R114-D140 PolarHBondContact NH1-OD2 2.96Å; Q116-D140 WeakPolarHBondContact CG-OD1 3.19Å; Q116-D140 PolarHBondContact NE2-OD1 3.03Å; D140-G152 CarbonylContact O-C 3.53Å; D140-G152 WeakPolarHBondContact O-CA 3.4Å; D140-S153 PolarHBondContact N-O 3.12Å; D140-S153 PolarHBondContact O-N 2.97Å
141I92.9Very high90.2Very high13 Ų1352.7 Ų52.77%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-69.6135.5171.9-56.8167.7000108.3R115 C117 V139 W150 E168R115-I141 HydrophobicContact CB-CB 4.04Å; R115-I141 HydrophobicContact CB-CD1 4.08Å; R115-I141 PolarHBondContact O-N 3.37Å; C117-I141 HydrophobicContact CB-CD1 3.92Å; C117-I141 HydrophobicContact CB-CG1 4.28Å; V139-I141 PolarHBondContact O-N 3.2Å; I141-W150 HydrophobicContact CD1-CD2 4.42Å; I141-W150 HydrophobicContact CD1-CE3 3.54Å; I141-W150 HydrophobicContact CD1-CH2 4.31Å; I141-W150 HydrophobicContact CD1-CZ3 3.48Å; I141-W150 VanDerWaalsContact CD1-CZ3 3.48Å; I141-W150 HydrophobicContact CG1-CE3 4.01Å; I141-W150 HydrophobicContact CG1-CZ3 4.4Å; I141-E168 HydrophobicContact CD1-CG 3.96Å
142L90.2Very high90.2Very high86 Ų8652.6 Ų52.645%0.4528%0.275SS..EExtended strand (participates in β ladder)trans-107.9-47.7177.6-66.6170.9000111.5S151L142-S151 PolarHBondContact N-O 3.48Å
143E87.1Confident90.2Very high125 Ų12551 Ų5158%0.58427%0.27SS*.EExtended strand (participates in β ladder)trans-158.2146.1-170.7-176.4175-172.200110.1V145 S151E143-V145 HydrophobicContact CB-CG2 4.37Å; E143-V145 HydrophobicContact CG-CG2 4.06Å; E143-S151 PolarHBondContact N-O 3.36Å; E143-S151 WeakPolarHBondContact O-CB 3.4Å; E143-S151 PolarHBondContact O-N 3.28Å
144E88.2Confident90Very high44 Ų4451.2 Ų51.221%0.20627%0.271CS..EExtended strand (participates in β ladder)trans-101.5106.8172.8-175.1159.8-151.900107.9W150 L520E144-W150 PolarHBondContact OE1-NE1 2.95Å; E144-L520 HydrophobicContact CB-CD1 4.08Å; E144-L520 HydrophobicContact CG-CB 4.22Å; E144-L520 HydrophobicContact CG-CD1 3.85Å; E144-L520 HydrophobicContact CG-CD2 4.23Å; E144-L520 HydrophobicContact CG-CG 4.31Å
145V82.1Confident89.6Confident74 Ų7452.9 Ų52.945%0.44829%0.285SS..EExtended strand (participates in β ladder)trans-94.6-45.8-160178.50000111.6E143 W149 L160E143-V145 HydrophobicContact CB-CG2 4.37Å; E143-V145 HydrophobicContact CG-CG2 4.06Å; V145-W149 PolarHBondContact N-O 3.31Å; V145-L160 HydrophobicContact CB-CD2 4.28Å; V145-L160 HydrophobicContact CG2-CD2 3.9Å
146E78.4Confident89.2Confident136 Ų13652.1 Ų52.164%0.63630%0.296SS*.EExtended strand (participates in β ladder)trans-143.8158.4175.9-173.1166.8-146.500108.3G148 W149E146-G148 PolarHBondContact O-N 3.42Å; E146-W149 PolarHBondContact O-N 2.97Å; E146-W149 VanDerWaalsContact O-O 3.07Å
147E79Confident89Confident54 Ų5456.2 Ų56.225%0.25230%0.3SS..THydrogen-bonded Turntrans-58.2119.9-177.6-173.8153.8-81.400112.3S521 H522E147-S521 VanDerWaalsContact OE1-CB 3.3Å; E147-S521 WeakPolarHBondContact OE1-CB 3.23Å; E147-S521 PolarHBondContact OE1-OG 2.89Å; E147-H522 WeakPolarHBondContact OE1-CB 3.47Å; E147-H522 IonicContact OE1-CD2 2.78Å; E147-H522 PolarHBondContact OE1-CD2 3.13Å; E147-H522 IonicContact OE1-CG 2.6Å; E147-H522 PolarHBondContact OE1-N 3.44Å; E147-H522 WeakPolarHBondContact OE2-CB 3.47Å; E147-H522 IonicContact OE2-CD2 3.37Å
148G85.6Confident88.9Confident9 Ų957.6 Ų57.69%0.09331%0.314CS..THydrogen-bonded Turntrans84.31.1-173.800000115.5E146 P162 S163E146-G148 PolarHBondContact O-N 3.42Å; G148-P162 CarbonylContact O-C 3.42Å; G148-P162 VanDerWaalsContact O-CA 3.23Å; G148-P162 WeakPolarHBondContact O-CA 3.16Å; G148-S163 WeakPolarHBondContact CA-OG 3.26Å; G148-S163 PolarHBondContact O-N 3.12Å; G148-S163 PolarHBondContact O-OG 3.08Å
149W92.8Very high88.8Confident81 Ų8155 Ų5531%0.30730%0.3SS..EExtended strand (participates in β ladder)trans-130.6117.6-177.8-74.296.1000113.5Y123 E130 V145 E146 L160 F161Y123-W149 WeakPolarHBondContact OH-CH2 3.39Å; E130-W149 HydrophobicContact CG-CZ3 4.26Å; V145-W149 PolarHBondContact N-O 3.31Å; E146-W149 PolarHBondContact O-N 2.97Å; E146-W149 VanDerWaalsContact O-O 3.07Å; W149-L160 HydrophobicContact CE3-CB 4.08Å; W149-L160 HydrophobicContact CZ3-CB 4.4Å; W149-F161 VanDerWaalsContact CE3-C 3.47Å
150W94.1Very high88.9Confident23 Ų2357 Ų579%0.08731%0.311CS..EExtended strand (participates in β ladder)trans-107.7136.8-179.4-66.2-6.2000111.2C117 I141 E144 L160 F161 V166 E168C117-W150 HydrophobicContact CB-CZ3 4.31Å; I141-W150 HydrophobicContact CD1-CD2 4.42Å; I141-W150 HydrophobicContact CD1-CE3 3.54Å; I141-W150 HydrophobicContact CD1-CH2 4.31Å; I141-W150 HydrophobicContact CD1-CZ3 3.48Å; I141-W150 VanDerWaalsContact CD1-CZ3 3.48Å; I141-W150 HydrophobicContact CG1-CE3 4.01Å; I141-W150 HydrophobicContact CG1-CZ3 4.4Å; E144-W150 PolarHBondContact OE1-NE1 2.95Å; W150-L160 CarbonylContact O-C 3.48Å; W150-L160 WeakPolarHBondContact O-CA 3.4Å; W150-F161 HydrophobicContact CB-CD2 4.4Å; W150-F161 HydrophobicContact CB-CE1 4.3Å; W150-F161 HydrophobicContact CB-CE2 3.81Å; W150-F161 HydrophobicContact CB-CZ 3.76Å; W150-F161 HydrophobicContact CE3-CE2 4.11Å; W150-F161 HydrophobicContact CE3-CZ 4.45Å; W150-F161 PolarHBondContact N-O 3.17Å; W150-F161 VanDerWaalsContact O-CD1 3.29Å; W150-F161 WeakPolarHBondContact O-CD1 3.24Å; W150-F161 WeakPolarHBondContact O-CE1 3.41Å; W150-F161 PolarHBondContact O-N 3.46Å; W150-V166 HydrophobicContact CE3-CG2 3.64Å; W150-V166 HydrophobicContact CH2-CG2 4.5Å; W150-V166 HydrophobicContact CZ3-CG2 3.49Å; W150-V166 VanDerWaalsContact CZ3-CG2 3.49Å; W150-E168 HydrophobicContact CH2-CG 3.68Å; W150-E168 HydrophobicContact CZ3-CG 3.8Å
151S91.9Very high88.9Confident22 Ų2255.5 Ų55.515%0.15430%0.303CS..EExtended strand (participates in β ladder)trans-86.8132.6165.4178.30000109L142 E143L142-S151 PolarHBondContact N-O 3.48Å; E143-S151 PolarHBondContact N-O 3.36Å; E143-S151 WeakPolarHBondContact O-CB 3.4Å; E143-S151 PolarHBondContact O-N 3.28Å
152G93.3Very high88.9Confident0 Ų055.5 Ų55.50%030%0.304CS..EExtended strand (participates in β ladder)trans-159.6179.4176.400000113.2D140 S158 G159D140-G152 CarbonylContact O-C 3.53Å; D140-G152 WeakPolarHBondContact O-CA 3.4Å; G152-S158 WeakPolarHBondContact O-CA 3.41Å; G152-G159 PolarHBondContact N-O 2.8Å; G152-G159 VanDerWaalsContact N-O 3.16Å; G152-G159 PolarHBondContact O-N 3.23Å
153S92.8Very high89Confident20 Ų2052.5 Ų52.514%0.1429%0.289CS..EExtended strand (participates in β ladder)trans-125.3129179.367.80000112.8D140 R157 S158D140-S153 PolarHBondContact N-O 3.12Å; D140-S153 PolarHBondContact O-N 2.97Å; S153-R157 CarbonylContact C-O 3.43Å; S153-R157 WeakPolarHBondContact CA-O 3.37Å; S153-S158 WeakPolarHBondContact CB-OG 3.47Å
154L90.9Very high89.3Confident5 Ų549.8 Ų49.83%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-129.3123.8177.3175.962.5000109.3L131 L133 D137 V138 V139 G156 R157L131-L154 HydrophobicContact CD1-CB 4.26Å; L131-L154 HydrophobicContact CD2-CB 3.89Å; L131-L154 HydrophobicContact CG-CB 4.34Å; L133-L154 HydrophobicContact CD2-CD2 4.43Å; D137-L154 HydrophobicContact CB-CD1 4.01Å; D137-L154 HydrophobicContact CB-CD2 4.09Å; V138-L154 VanDerWaalsContact O-CD1 3.29Å; V138-L154 WeakPolarHBondContact O-CD1 3.35Å; V139-L154 HydrophobicContact CG1-CB 4.29Å; V139-L154 HydrophobicContact CG2-CB 4.25Å; V139-L154 HydrophobicContact CG2-CD1 4.44Å; V139-L154 HydrophobicContact CG2-CD2 4.32Å; L154-G156 PolarHBondContact O-N 2.93Å; L154-R157 PolarHBondContact N-O 2.86Å; L154-R157 PolarHBondContact O-N 2.66Å
155N85Confident89.5Confident141 Ų14150.8 Ų50.875%0.75428%0.283SS*.THydrogen-bonded Turntrans52.129.7178.2-64-49.1000114.7R157N155-R157 VanDerWaalsContact C-N 3.35Å
156G84.3Confident90Very high79 Ų7947.9 Ų47.981%0.81427%0.265SS*.THydrogen-bonded Turntrans84-1.3-179.900000115.6L154L154-G156 PolarHBondContact O-N 2.93Å
157R85.4Confident90.7Very high122 Ų12247.9 Ų47.946%0.4626%0.263SS..EExtended strand (participates in β ladder)trans-88.3146160.1-65.2-174.1-64.1-174.6-1.2108.9L131 E132 S153 L154 N155L131-R157 HydrophobicContact CD1-CB 3.86Å; E132-R157 IonicContact OE2-CZ 2.68Å; E132-R157 IonicContact OE2-NH1 4Å; E132-R157 PolarHBondContact OE2-NH1 3.34Å; E132-R157 IonicContact OE2-NH2 3.33Å; E132-R157 PolarHBondContact OE2-NH2 3.25Å; S153-R157 CarbonylContact C-O 3.43Å; S153-R157 WeakPolarHBondContact CA-O 3.37Å; L154-R157 PolarHBondContact N-O 2.86Å; L154-R157 PolarHBondContact O-N 2.66Å; N155-R157 VanDerWaalsContact C-N 3.35Å
158S90.9Very high91.2Very high80 Ų8048.6 Ų48.656%0.55927%0.266SS*.EExtended strand (participates in β ladder)trans-124.2147.7170.2-56.50000109.8G152 S153G152-S158 WeakPolarHBondContact O-CA 3.41Å; S153-S158 WeakPolarHBondContact CB-OG 3.47Å
159G92.8Very high91.3Very high9 Ų952 Ų529%0.09328%0.282CS..EExtended strand (participates in β ladder)trans176.8177178.500000112.6D129 G152D129-G159 CarbonylContact O-C 3.56Å; D129-G159 WeakPolarHBondContact O-CA 3.34Å; G152-G159 PolarHBondContact N-O 2.8Å; G152-G159 VanDerWaalsContact N-O 3.16Å; G152-G159 PolarHBondContact O-N 3.23Å
160L94.7Very high90.4Very high43 Ų4357 Ų5723%0.22531%0.309CS..EExtended strand (participates in β ladder)trans-80.4141177.4-57.3-178.6000111.5D129 E130 L131 V145 W149 W150D129-L160 PolarHBondContact O-N 2.71Å; E130-L160 CarbonylContact C-O 3.55Å; E130-L160 VanDerWaalsContact CA-O 3.24Å; E130-L160 WeakPolarHBondContact CA-O 3.47Å; L131-L160 PolarHBondContact N-O 3.03Å; V145-L160 HydrophobicContact CB-CD2 4.28Å; V145-L160 HydrophobicContact CG2-CD2 3.9Å; W149-L160 HydrophobicContact CE3-CB 4.08Å; W149-L160 HydrophobicContact CZ3-CB 4.4Å; W150-L160 CarbonylContact O-C 3.48Å; W150-L160 WeakPolarHBondContact O-CA 3.4Å
161F94.6Very high88.9Confident0 Ų058.9 Ų58.90%033%0.33CS..EExtended strand (participates in β ladder)trans-147.2152.5172.159.9-90.6000111.3L131 L133 V139 W149 W150 S163 V166L131-F161 HydrophobicContact CB-CB 4.38Å; L131-F161 HydrophobicContact CB-CD1 4.15Å; L131-F161 HydrophobicContact CD2-CD1 3.76Å; L131-F161 HydrophobicContact CD2-CE1 4.09Å; L133-F161 HydrophobicContact CD1-CB 3.8Å; L133-F161 HydrophobicContact CD1-CD2 3.84Å; L133-F161 HydrophobicContact CD1-CG 3.98Å; L133-F161 HydrophobicContact CD2-CB 4.16Å; L133-F161 HydrophobicContact CD2-CD1 4.38Å; L133-F161 HydrophobicContact CD2-CD2 4.49Å; L133-F161 HydrophobicContact CD2-CG 4.09Å; L133-F161 HydrophobicContact CG-CB 4.03Å; L133-F161 HydrophobicContact CG-CG 4.37Å; V139-F161 HydrophobicContact CB-CZ 4.4Å; V139-F161 HydrophobicContact CG1-CE1 3.7Å; V139-F161 HydrophobicContact CG1-CZ 3.94Å; W149-F161 VanDerWaalsContact CE3-C 3.47Å; W150-F161 HydrophobicContact CB-CD2 4.4Å; W150-F161 HydrophobicContact CB-CE1 4.3Å; W150-F161 HydrophobicContact CB-CE2 3.81Å; W150-F161 HydrophobicContact CB-CZ 3.76Å; W150-F161 HydrophobicContact CE3-CE2 4.11Å; W150-F161 HydrophobicContact CE3-CZ 4.45Å; W150-F161 PolarHBondContact N-O 3.17Å; W150-F161 VanDerWaalsContact O-CD1 3.29Å; W150-F161 WeakPolarHBondContact O-CD1 3.24Å; W150-F161 WeakPolarHBondContact O-CE1 3.41Å; W150-F161 PolarHBondContact O-N 3.46Å; F161-S163 PolarHBondContact O-N 3.32Å; F161-V166 HydrophobicContact CD2-CG1 3.95Å; F161-V166 HydrophobicContact CE2-CB 4.45Å; F161-V166 HydrophobicContact CE2-CG1 3.7Å; F161-V166 HydrophobicContact CE2-CG2 3.88Å
162P92.8Very high86.7Confident13 Ų1360.6 Ų60.68%0.08435%0.35CS..EExtended strand (participates in β ladder)trans-69.9127.9-179.726-34000112Y123 G148 N164 F165Y123-P162 HydrophobicContact CD2-CG 3.64Å; Y123-P162 HydrophobicContact CE2-CG 3.7Å; Y123-P162 HydrophobicContact CG-CG 4.08Å; G148-P162 CarbonylContact O-C 3.42Å; G148-P162 VanDerWaalsContact O-CA 3.23Å; G148-P162 WeakPolarHBondContact O-CA 3.16Å; P162-N164 VanDerWaalsContact C-N 3.27Å; P162-N164 PolarHBondContact O-N 2.97Å; P162-F165 HydrophobicContact CB-CD2 3.82Å; P162-F165 HydrophobicContact CB-CE2 4.33Å; P162-F165 HydrophobicContact CG-CB 4.13Å; P162-F165 HydrophobicContact CG-CD1 4.5Å; P162-F165 HydrophobicContact CG-CD2 3.42Å; P162-F165 VanDerWaalsContact CG-CD2 3.42Å; P162-F165 HydrophobicContact CG-CE2 3.93Å; P162-F165 HydrophobicContact CG-CG 3.77Å; P162-F165 WeakPolarHBondContact O-CB 3.4Å; P162-F165 PolarHBondContact O-N 2.84Å
163S92Very high84.8Confident22 Ų2264.4 Ų64.415%0.15439%0.39CS..G310 helixtrans-60.4-36-178.565.10000112.5G148 F161 F165 V166G148-S163 WeakPolarHBondContact CA-OG 3.26Å; G148-S163 PolarHBondContact O-N 3.12Å; G148-S163 PolarHBondContact O-OG 3.08Å; F161-S163 PolarHBondContact O-N 3.32Å; S163-F165 PolarHBondContact O-N 2.89Å; S163-V166 WeakPolarHBondContact O-CG2 3.47Å; S163-V166 PolarHBondContact O-N 2.83Å
164N94.2Very high82.3Confident69 Ų6972.9 Ų72.937%0.36943%0.427SS..G310 helixtrans-56-17.1174-76.2-43.2000114.7P162 T524P162-N164 VanDerWaalsContact C-N 3.27Å; P162-N164 PolarHBondContact O-N 2.97Å; N164-T524 PolarHBondContact ND2-O 3.28Å
165F91.4Very high80.1Confident64 Ų6481.9 Ų81.928%0.28147%0.469SS..G310 helixtrans-92.6-5.1-179.8-77-121.3000112.7L120 F121 D122 Y123 L133 P162 S163L120-F165 PolarHBondContact N-O 3.02Å; F121-F165 HydrophobicContact CB-CB 4.36Å; F121-F165 HydrophobicContact CB-CD1 3.5Å; F121-F165 HydrophobicContact CB-CE1 3.98Å; F121-F165 HydrophobicContact CB-CG 4.08Å; F121-F165 PolarHBondContact N-O 3.11Å; D122-F165 WeakPolarHBondContact O-CE1 3.34Å; Y123-F165 HydrophobicContact CD2-CD1 4.06Å; Y123-F165 AromaticContact CD2-CE1 3.93Å; Y123-F165 HydrophobicContact CD2-CE1 3.93Å; Y123-F165 HydrophobicContact CD2-CZ 4.27Å; Y123-F165 HydrophobicContact CG-CD1 4.49Å; L133-F165 HydrophobicContact CD1-CB 4.15Å; P162-F165 HydrophobicContact CB-CD2 3.82Å; P162-F165 HydrophobicContact CB-CE2 4.33Å; P162-F165 HydrophobicContact CG-CB 4.13Å; P162-F165 HydrophobicContact CG-CD1 4.5Å; P162-F165 HydrophobicContact CG-CD2 3.42Å; P162-F165 VanDerWaalsContact CG-CD2 3.42Å; P162-F165 HydrophobicContact CG-CE2 3.93Å; P162-F165 HydrophobicContact CG-CG 3.77Å; P162-F165 WeakPolarHBondContact O-CB 3.4Å; P162-F165 PolarHBondContact O-N 2.84Å; S163-F165 PolarHBondContact O-N 2.89Å
166V92.6Very high78.3Confident13 Ų1380 Ų808%0.07947%0.474CS..EExtended strand (participates in β ladder)trans-123.7168.3179.6-57.80000111.5C117 K118 V119 L133 W150 F161 S163C117-V166 HydrophobicContact CB-CB 3.9Å; C117-V166 HydrophobicContact CB-CG2 3.9Å; K118-V166 CarbonylContact O-C 3.5Å; K118-V166 WeakPolarHBondContact O-CA 3.46Å; V119-V166 HydrophobicContact CG2-CG1 4.16Å; L133-V166 HydrophobicContact CD1-CG1 3.89Å; W150-V166 HydrophobicContact CE3-CG2 3.64Å; W150-V166 HydrophobicContact CH2-CG2 4.5Å; W150-V166 HydrophobicContact CZ3-CG2 3.49Å; W150-V166 VanDerWaalsContact CZ3-CG2 3.49Å; F161-V166 HydrophobicContact CD2-CG1 3.95Å; F161-V166 HydrophobicContact CE2-CB 4.45Å; F161-V166 HydrophobicContact CE2-CG1 3.7Å; F161-V166 HydrophobicContact CE2-CG2 3.88Å; S163-V166 WeakPolarHBondContact O-CG2 3.47Å; S163-V166 PolarHBondContact O-N 2.83Å
167K92.8Very high76Confident137 Ų13786.1 Ų86.160%0.59648%0.481SS*.EExtended strand (participates in β ladder)trans-132.1131.6165.8170.7167.2-179.5168.50109.1C117 K118 L120C117-K167 CarbonylContact C-O 3.49Å; C117-K167 VanDerWaalsContact CA-O 3.23Å; C117-K167 WeakPolarHBondContact CA-O 3.18Å; C117-K167 WeakPolarHBondContact CB-O 3.03Å; K118-K167 PolarHBondContact N-O 2.95Å; K118-K167 PolarHBondContact O-N 3.33Å; L120-K167 HydrophobicContact CD1-CB 3.87Å; L120-K167 HydrophobicContact CD2-CB 4.3Å; L120-K167 HydrophobicContact CG-CB 4.07Å
168E91.4Very high74Confident68 Ų6884.2 Ų84.232%0.31849%0.491SS..EExtended strand (participates in β ladder)trans-61.6140.7175-71.8-166.7-102.700112.1R115 C117 I141 W150R115-E168 IonicContact CZ-OE1 3.28Å; R115-E168 IonicContact CZ-OE2 2.71Å; R115-E168 IonicContact NE-OE1 3.13Å; R115-E168 IonicContact NE-OE2 2.69Å; R115-E168 PolarHBondContact NE-OE2 2.91Å; R115-E168 IonicContact NH2-OE1 3.36Å; R115-E168 PolarHBondContact NH2-OE1 2.83Å; R115-E168 IonicContact NH2-OE2 3.67Å; R115-E168 PolarHBondContact NH2-OE2 2.73Å; R115-E168 VanDerWaalsContact NH2-OE2 3.13Å; C117-E168 HydrophobicContact CB-CG 4.36Å; I141-E168 HydrophobicContact CD1-CG 3.96Å; W150-E168 HydrophobicContact CH2-CG 3.68Å; W150-E168 HydrophobicContact CZ3-CG 3.8Å
169L86.8Confident71.4Confident81 Ų8188.2 Ų88.242%0.42451%0.506SS..EExtended strand (participates in β ladder)trans-104.3105.5163.8-8567.5000105.8Q116 K118 A171Q116-L169 PolarHBondContact O-N 2.6Å; K118-L169 HydrophobicContact CB-CD1 3.43Å; K118-L169 VanDerWaalsContact CB-CD1 3.43Å; L169-A171 PolarHBondContact O-N 2.82Å; L169-A171 VanDerWaalsContact O-N 3.16Å
170E73.1Confident68.7Low185 Ų18595.1 Ų95.186%0.86454%0.541SS*.  trans-58.3122.3168.6-68.9-161.3154.600109.2G172E170-G172 PolarHBondContact O-N 3.07Å
171A62.5Low65.9Low64 Ų6498.9 Ų98.953%0.52957%0.566SS.*  trans-76.649.716800000110.9L169L169-A171 PolarHBondContact O-N 2.82Å; L169-A171 VanDerWaalsContact O-N 3.16Å
172G46.1Very low63.3Low57 Ų57105.5 Ų105.559%0.58861%0.606SS**  trans-68.1138.2166.300000109.5E170E170-G172 PolarHBondContact O-N 3.07Å
173G53.8Low60.9Low81 Ų81109.3 Ų109.384%0.83564%0.639SS**  trans-92.7106.1-179.400000110.7E175G173-E175 PolarHBondContact O-N 2.76Å
174E40.6Very low58Low197 Ų197116 Ų11692%0.92167%0.673SS**  trans-82.2101164.7-72177.485.700109.5
175E43.9Very low55.8Low194 Ų194121.5 Ų121.591%0.90769%0.694SS**  trans-69.3144.4145.1-68.5-163.6115.200108.1G173 E177G173-E175 PolarHBondContact O-N 2.76Å; E175-E177 PolarHBondContact O-N 2.81Å
176A48.6Very low53.8Low103 Ų103123.3 Ų123.385%0.85171%0.712SS**  trans-79.9106-164.900000113.3
177E34.8Very low50.9Low206 Ų206130.3 Ų130.396%0.96375%0.749SS**  trans-93.999.1157.1-77.9-157.879.400110.8E175E175-E177 PolarHBondContact O-N 2.81Å
178A44.4Very low47.9Very low82 Ų82127.2 Ų127.268%0.67876%0.755SS**  trans-117115.716600000109.4
179N34.6Very low45.1Very low164 Ų164130 Ų13088%0.87778%0.782SS**  trans-173.1114.7136.7-91.4-36.6000111.1
180D37.2Very low42.4Very low154 Ų154129.2 Ų129.282%0.82479%0.794SS**  trans-81.4161.7156.8-177.933.1000110
181T36.3Very low40.4Very low122 Ų122126.4 Ų126.475%0.74879%0.79SS**  trans-110.1107.2-165.6-56.10000113.4
182V38.7Very low39.1Very low139 Ų139131.8 Ų131.884%0.84280%0.804SS**  trans-135.8133.9156.5-179.10000109.6
183A42.5Very low39.5Very low93 Ų93134.2 Ų134.277%0.76981%0.809SS**  trans-114138175.500000110.9
184D32.5Very low38.4Very low162 Ų162135 Ų13587%0.86681%0.808SS**  trans-153162.8147.7-154.4-174000111.6
185K46.3Very low38Very low186 Ų186130.3 Ų130.381%0.80980%0.803SS**  trans-162.9160.8-175.3-123-167.8172.5-1750108.6
186P50.8Low37.2Very low101 Ų101127.6 Ų127.666%0.65680%0.8SS**  cis-144-161.28.641-19.1000115.6
187D31Very low37.2Very low161 Ų161127.9 Ų127.986%0.86179%0.793SS**  trans101.1153.7144.9-121.3-69.3000120.7
188G29.9Very low36.8Very low71 Ų71124.3 Ų124.373%0.73279%0.785SS**  trans123.5118.8-174.500000114.5
189S32Very low36.2Very low126 Ų126126.7 Ų126.788%0.88179%0.792SS**  trans-129.2159.7-173.6-176.20000113.5
190G29.9Very low36.7Very low66 Ų66124.7 Ų124.768%0.6879%0.787SS**  trans130.9102.2172.200000113.7
191T32.6Very low36.4Very low126 Ų126125.9 Ų125.977%0.77379%0.788SS**  89.49761.2-58.70000114.7
192E34.3Very low36.9Very low177 Ų177124.9 Ų124.983%0.82778%0.784SS**  29.5163.9125.6-67.6-157.5120.800123.6
193P55.2Low36.4Very low107 Ų107125.1 Ų125.170%0.69578%0.78SS**  cis-147.4-175.1-3542-23.7000116.4
194A30.8Very low36.1Very low97 Ų97126 Ų12680%0.80278%0.781SS**  trans70.6128.4141.800000124.7
195A30.7Very low35.9Very low99 Ų99122 Ų12282%0.81878%0.778SS**  176.4158.4121.200000114
196T27.9Very low35.3Very low137 Ų137121.6 Ų121.684%0.8478%0.784SS**  trans-135.3-164.4176.659.90000109.1
197P49.2Very low34.3Very low110 Ų110120 Ų12071%0.71479%0.787SS**  cis-138.7-168.1-8.342.3-23.3000115.1
198T27Very low34.3Very low130 Ų130116.9 Ų116.980%0.79878%0.783SS**  trans144.3141.3137.4-58.70000114.2
199T30.7Very low34.3Very low132 Ų132119.3 Ų119.381%0.8178%0.784SS**  trans-154143.2-171.2-30.50000114
200P44.8Very low34.3Very low122 Ų122122 Ų12279%0.79278%0.783SS**  trans-136.9-156.2155.242.1-27.5000114.5
201Q31.2Very low34.7Very low180 Ų180126.1 Ų126.184%0.84178%0.784SS**  trans-151.9-167.3-173.4-124.9-168.3-91.600106.9
202P47.9Very low35.2Very low100 Ų100126.2 Ų126.265%0.64979%0.787SS**  cis-139.9-149.98.445.3-24.2000115.6
203D27.6Very low35.4Very low144 Ų144128.1 Ų128.177%0.7779%0.786SS**  trans84.8150.3170-81.2-25.1000120.1
204S36.3Very low34.3Very low111 Ų111133.7 Ų133.778%0.77679%0.793SS**  cis178.1149.3-32.3-100.60000109.6
205G28.5Very low34.5Very low78 Ų78135.7 Ų135.780%0.80479%0.789SS**  trans162.6126.6168.300000119.3
206N32.7Very low34.9Very low178 Ų178138.9 Ų138.995%0.95279%0.791SS**  trans-76.1169.1176.4-58.7-29.4000113
207G30.1Very low35.3Very low69 Ų69135.8 Ų135.871%0.71179%0.786SS**  cis149.9172.2-3.500000112.9
208A31.5Very low35.2Very low95 Ų95138 Ų13879%0.78580%0.797SS**  trans69154.3167.700000118.5
209T30.3Very low35.6Very low121 Ų121135.2 Ų135.274%0.74280%0.795SS**  cis-163.7155.8-18.720.80000112.3
210H31.4Very low36.4Very low184 Ų184139 Ų13985%0.85280%0.8SS**  trans80.2142.5149.6-96.4-94.5000124.3
211Q38.4Very low36Very low151 Ų151136.1 Ų136.171%0.70679%0.793SS**  trans-105.3162.4173.2-78.4-101-11.900108.8
212P43.2Very low36.8Very low129 Ų129133 Ų13384%0.83878%0.782SS**  -154.3-164.961.642.5-18.9000118.2
213R38.1Very low37.1Very low216 Ų216135.4 Ų135.482%0.81579%0.788SS**  trans-91.4155.5-162-51.4164.5178.5-118.2-0.2115.4
214R31.9Very low37.9Very low224 Ų224137.7 Ų137.785%0.84579%0.792SS**  176.6126.2112.5-98.8-172.5-65.4175.42.3116.4
215I36Very low38.7Very low139 Ų139142 Ų14271%0.71380%0.796SS**  73.5123.5128.6-70.6176000122
216I38.2Very low39.5Very low166 Ų166141.2 Ų141.285%0.85179%0.788SS**  trans56.4122.4151.8-63.8167.9000119.8
217G36.1Very low40.1Very low72 Ų72135.9 Ų135.974%0.74278%0.776SS**  trans-177.4110.815900000110.7
218V47.1Very low41.1Very low156 Ų156138.1 Ų138.195%0.94578%0.777SS**  trans-85.8124.3173.2179.40000108.1
219G36.7Very low41.7Very low73 Ų73140 Ų14075%0.75378%0.779SS**  trans-143.496.2-176.300000112.3G221G219-G221 PolarHBondContact O-N 3.17Å
220F46Very low42.4Very low210 Ų210143.3 Ų143.392%0.92178%0.783SS**  trans-81.5105.9171.2-150.7-94.3000108.2D222F220-D222 PolarHBondContact O-N 2.97Å
221G36.5Very low42.7Very low63 Ų63142.5 Ų142.565%0.64978%0.784SS**  trans-84.2108.4-164.700000115.2G219G219-G221 PolarHBondContact O-N 3.17Å
222D49.2Very low42.5Very low113 Ų113144.6 Ų144.660%0.60479%0.786SS**  trans25.3105.9151.9-173.318.8000118.7F220 F224F220-D222 PolarHBondContact O-N 2.97Å; D222-F224 PolarHBondContact OD1-N 2.94Å
223I53.6Low42.2Very low152 Ų152145 Ų14578%0.77979%0.786SS**  trans-125.931.1163.1-34.5-179.3000110.6
224F44.4Very low41.7Very low191 Ų191140.6 Ų140.684%0.83877%0.774SS**  trans-116.343.6-176-77.4-68.5000113.9D222 G226D222-F224 PolarHBondContact OD1-N 2.94Å; F224-G226 PolarHBondContact O-N 2.61Å
225K52.1Low42.4Very low202 Ų202135.4 Ų135.488%0.87877%0.77SS**  trans-82.659.7164.2-82.4-177176.9170.60112.9
226G45.8Very low42.2Very low61 Ų61133.7 Ų133.763%0.62977%0.77SS**SBendtrans-146.6113.916800000109.5F224F224-G226 PolarHBondContact O-N 2.61Å
227G45.5Very low42.6Very low67 Ų67131 Ų13169%0.69176%0.764SS**  trans-65.2153.5-176.100000113.3V229G227-V229 PolarHBondContact O-N 2.81Å
228P51.6Low42.5Very low115 Ų115135 Ų13575%0.74777%0.766SS**  trans-67.7120.1-167.325.8-35000113.3K230P228-K230 PolarHBondContact O-N 3.32Å
229V42.9Very low41.8Very low136 Ų136133.2 Ų133.282%0.82476%0.756SS**  trans-69.6114.2170.7-1790000109.3G227 L231G227-V229 PolarHBondContact O-N 2.81Å; V229-L231 PolarHBondContact O-N 2.74Å
230K45.6Very low42.1Very low190 Ų190138 Ų13883%0.82676%0.759SS**  trans-87.290.3-178.3-67.1176.9-179173.20111.5P228P228-K230 PolarHBondContact O-N 3.32Å
231L37.1Very low41.7Very low167 Ų167132.9 Ų132.987%0.87474%0.741SS**  trans-78.7119.7160.7-85.2166000109.7V229V229-L231 PolarHBondContact O-N 2.74Å
232R35.2Very low41.9Very low195 Ų195140.1 Ų140.174%0.73675%0.749SS**  trans-108.495.6-170.7174.968.9169.6-177.53.3110.1Q234R232-Q234 HydrophobicContact CG-CG 4.29Å; R232-Q234 VanDerWaalsContact NE-CG 3.3Å
233T35.6Very low41.1Very low137 Ų137143.7 Ų143.784%0.8476%0.759SS**  trans-72.7123.8162.713.70000110
234Q28.7Very low40.3Very low123 Ų123142.2 Ų142.258%0.57576%0.757SS**  trans-145.5112.2172.5-96.8-74.6-76.500109.1R232R232-Q234 HydrophobicContact CG-CG 4.29Å; R232-Q234 VanDerWaalsContact NE-CG 3.3Å
235P45.5Very low39.8Very low116 Ų116142.5 Ų142.575%0.75376%0.757SS**  trans-85.2139.2167.933.3-31.1000110.3
236S33.6Very low39.1Very low103 Ų103139 Ų13972%0.7275%0.748SS**  trans-157.8156.5174.9-76.40000111
237P46.6Very low38.7Very low110 Ų110144.6 Ų144.671%0.71476%0.758SS**  trans-133.3-154.7-141.641.4-22.9000115.1
238I33.1Very low38.5Very low154 Ų154148.6 Ų148.679%0.7976%0.759SS**  trans67.1137.8167.855.2171.2000117
239T33.7Very low37.6Very low119 Ų119150.9 Ų150.973%0.7376%0.757SS**  cis-136.6145.342.750.10000117.1
240E41.9Very low37.2Very low175 Ų175149.4 Ų149.482%0.81874%0.744SS**  trans38144.4139.9-52.5-169129.300120.9
241D36.8Very low36.5Very low101 Ų101148.8 Ų148.854%0.5474%0.742SS.*  cis-162.3146.341.8-156.90.1000113.6
242R42.1Very low36.2Very low216 Ų216145.5 Ų145.582%0.81574%0.739SS**  trans54.8143154.5-80.5156.1-139.3-1685.2121.3
243K31.7Very low35.9Very low188 Ų188139.6 Ų139.682%0.81774%0.739SS**  cis-166.9126.38.2175.3177.1-178.6-179.70114.3
244V38Very low36.6Very low121 Ų121139.4 Ų139.473%0.73374%0.739SS**  trans22.1124145.3-175.50000121.6
245K33.3Very low36.7Very low196 Ų196138.4 Ų138.485%0.85275%0.752SS**  -162.1159.4119.1-156.1164.3-178.4-175.60113.5
246D37.9Very low36.2Very low128 Ų128141.6 Ų141.668%0.68476%0.757SS**  trans-108.3175.5-157.4-34.2-102.5000117.1
247Q37.5Very low36.4Very low180 Ų180142.2 Ų142.284%0.84176%0.759SS**  trans120.4110.7162.4-67.8173.71000112.7
248E40.9Very low35.9Very low151 Ų151143.1 Ų143.171%0.70676%0.762SS**  67.911761.6-158.2-172.7132.700111
249K32.4Very low36.2Very low162 Ų162141 Ų14170%0.70476%0.758SS**  -171175.364.2-152.4150.1-170.2140.30114.9
250D34.4Very low35.8Very low105 Ų105140.9 Ų140.956%0.56176%0.762SS**  trans-26.5163163.1-64.2-101.9000119.6
251K31.7Very low35.4Very low178 Ų178140.3 Ų140.377%0.77476%0.764SS**  cis-167.51626.1-124.1168.1-176.3103.10113.5
252A30.2Very low35.4Very low98 Ų98141.8 Ų141.881%0.8178%0.779SS**  trans63.1141.5145.700000123
253G28.6Very low34.7Very low71 Ų71137 Ų13773%0.73278%0.779SS**  trans-113.9-144.7159.700000110.6
254P50.9Low34.6Very low132 Ų132132.6 Ų132.686%0.85778%0.778SS**  cis-140.2-164.10.643.7-24.8000115.2
255A29.5Very low34.2Very low102 Ų102132 Ų13284%0.84379%0.785SS**  trans90.3153.9154.200000121.7
256Q35.5Very low33.9Very low184 Ų184132.1 Ų132.186%0.8679%0.786SS**  trans-103.4175.6-178.3-84.5-169.11000110.3
257P38.4Very low34.3Very low116 Ų116131.3 Ų131.375%0.75379%0.787SS**  cis-148.5-17131.843.4-20.6000119.2
258V35Very low33.6Very low128 Ų128127.2 Ų127.278%0.77678%0.784SS**  trans-59.6167.6167.2-65.10000113.1
259P39.3Very low33.2Very low110 Ų110128.7 Ų128.771%0.71479%0.791SS**  cis-154.4-171.134.644.5-21.5000120.4
260S26Very low33.7Very low116 Ų116127.2 Ų127.281%0.81180%0.798SS**  trans89.9137149.5-610000122.1
261L34Very low33.4Very low163 Ų163128.4 Ų128.485%0.85380%0.804SS**  trans-90.3166.7166.3-71.1165.1000111.2
262P36.5Very low33.4Very low132 Ų132127.2 Ų127.286%0.85780%0.803SS**  -137.1-162.6109.739.5-28.2000113.8
263S27.1Very low33.6Very low116 Ų116127.2 Ų127.281%0.81179%0.793SS**  trans-124.5163.9-153-167.30000116.4
264A30.2Very low33.8Very low96 Ų96130.3 Ų130.379%0.79379%0.793SS**  trans66.4121.4152.200000122
265A27.7Very low33.1Very low108 Ų108128.7 Ų128.789%0.89379%0.785SS**  trans-156.9142.414200000112.7
266K28.8Very low33.3Very low199 Ų199133.6 Ų133.687%0.86579%0.79SS**  trans-146.2173.4168.1-132.4-171.7176.7-179.50105
267P44.7Very low33.3Very low110 Ų110134.9 Ų134.971%0.71479%0.787SS**  cis-133.4-176.9-9.942.8-27.3000113.7
268A23.9Very low33Very low95 Ų95134.1 Ų134.179%0.78579%0.791SS**  trans-160.8142.514700000111.9
269H31.7Very low33.1Very low181 Ų181135 Ų13584%0.83879%0.786SS**  trans-130.9157.3161.4-72.4-98000108.1
270P43.6Very low32.9Very low131 Ų131136.7 Ų136.785%0.85180%0.795SS**  trans-120.7168.7140.435.3-28.2000112.6
271N28.1Very low33.4Very low130 Ų130138.7 Ų138.770%0.69580%0.796SS**  trans-126.6163.8-170.5175.929000110.1
272M31.6Very low33.4Very low153 Ų153133.5 Ų133.575%0.75478%0.782SS**  trans169.4100138.1-89.1-75.4104.900113.3
273T34.2Very low33.6Very low98 Ų98136.6 Ų136.660%0.60178%0.782SS**  61.7125.1114.4-51.90000123.8
274D32.4Very low34.2Very low137 Ų137139 Ų13973%0.73378%0.78SS**  trans91.8117147.3-107.6-105.8000126.2
275S36.8Very low34.5Very low98 Ų98144.2 Ų144.269%0.68579%0.785SS**  trans35.5125135.2-52.20000124.1
276Q32.8Very low34.7Very low204 Ų204143 Ų14395%0.95378%0.775SS**  -155.2155.1123.4-119.8177.6-9.700113
277R35.4Very low35.3Very low212 Ų212139.3 Ų139.380%0.877%0.771SS**  trans-106.7137-179.4169.3-174.6170.5-157.11.3111E279R277-E279 IonicContact CZ-OE2 3.74Å; R277-E279 IonicContact NE-OE2 2.78Å; R277-E279 PolarHBondContact NE-OE2 2.84Å; R277-E279 IonicContact NH2-OE2 3.59Å; R277-E279 PolarHBondContact NH2-OE2 2.74Å
278A33.6Very low35.3Very low99 Ų99140 Ų14082%0.81877%0.773SS**  trans-149.1136.7158.700000110.7
279E37Very low36.8Very low146 Ų146139 Ų13968%0.68277%0.765SS**  trans-100.2140.2162.9-77.1154.365.300108.5R277R277-E279 IonicContact CZ-OE2 3.74Å; R277-E279 IonicContact NE-OE2 2.78Å; R277-E279 PolarHBondContact NE-OE2 2.84Å; R277-E279 IonicContact NH2-OE2 3.59Å; R277-E279 PolarHBondContact NH2-OE2 2.74Å
280V35.7Very low38.9Very low147 Ų147135.7 Ų135.789%0.89175%0.748SS**  trans-173.1142.3132.71400000110.4
281D34.6Very low41Very low157 Ų157133.5 Ų133.584%0.8473%0.727SS**  trans-28.3148.2175.6-143.1-83.7000120.5
282G34.3Very low44.1Very low54 Ų54129.2 Ų129.256%0.55770%0.702SS**  trans109.492.3141.900000119.5
283K41.4Very low47Very low198 Ų198121.9 Ų121.986%0.86167%0.666SS**  trans63.6164.2171.8-65.3171.8176.1167.10113.2
284H38.8Very low49.8Very low166 Ų166122.5 Ų122.577%0.76966%0.66SS**  cis-134.7149.414.6-69.6-117.6000111A286H284-A286 PolarHBondContact O-N 2.87Å
285K37.7Very low52.8Low205 Ų205116 Ų11689%0.89163%0.626SS**  trans-64.8131.5152.8-87.2-168.1174.7-174.30107.8
286A31.6Very low55.4Low84 Ų84116 Ų11669%0.69461%0.613SS**  trans-58.8145.1165.600000109.5H284 T288H284-A286 PolarHBondContact O-N 2.87Å; A286-T288 PolarHBondContact O-N 3.1Å
287P41.2Very low58.1Low120 Ų120111.7 Ų111.778%0.77959%0.589SS**  trans-69.8109.7-174.927.8-33.5000110.5A289P287-A289 PolarHBondContact O-N 2.89Å
288T43.8Very low60.8Low124 Ų124104.2 Ų104.276%0.76157%0.573SS**  trans-52.3133147.645.40000107.8A286 K290A286-T288 PolarHBondContact O-N 3.1Å; T288-K290 PolarHBondContact O-N 3.14Å
289A55.9Low63.6Low75 Ų75101.1 Ų101.162%0.6254%0.54SS*.  trans-49.5133.3175.900000109.3P287 E291P287-A289 PolarHBondContact O-N 2.89Å; A289-E291 PolarHBondContact O-N 3.4Å
290K76.2Confident66.1Low111 Ų111100.5 Ų100.548%0.48354%0.541SS..  trans-80.794.1-170.1-74.4-167.5175.2-170.80108T288 F292 E349T288-K290 PolarHBondContact O-N 3.14Å; K290-F292 HydrophobicContact CB-CD2 4.26Å; K290-F292 HydrophobicContact CB-CE2 3.55Å; K290-F292 HydrophobicContact CB-CZ 3.95Å; K290-F292 HydrophobicContact CD-CZ 4.34Å; K290-F292 WeakPolarHBondContact O-CD2 3.33Å; K290-F292 VanDerWaalsContact O-CE2 3.29Å; K290-F292 WeakPolarHBondContact O-CE2 3.34Å; K290-F292 PolarHBondContact O-N 2.81Å; K290-E349 PolarHBondContact N-OE2 2.85Å; K290-E349 VanDerWaalsContact N-OE2 3.12Å
291E88.4Confident68.7Low86 Ų8694.6 Ų94.640%0.40251%0.511SS..  trans-63.6112.9177.9-64.4-156.991.300109.4A289 I317 K320A289-E291 PolarHBondContact O-N 3.4Å; E291-I317 HydrophobicContact CB-CB 4.23Å; E291-I317 HydrophobicContact CB-CD1 4.23Å; E291-I317 WeakPolarHBondContact O-CB 2.98Å; E291-I317 PolarHBondContact O-N 3.24Å; E291-K320 IonicContact OE1-NZ 3.07Å; E291-K320 PolarHBondContact OE1-NZ 2.86Å; E291-K320 WeakPolarHBondContact OE2-CE 3.48Å; E291-K320 IonicContact OE2-NZ 2.82Å; E291-K320 PolarHBondContact OE2-NZ 3.4Å
292F92.3Very high71Confident39 Ų3995.6 Ų95.617%0.17151%0.508CS..EExtended strand (participates in β ladder)trans-102.3147.2172.3-66.9-82.2000109.2K290 V315 H316 V347 K352K290-F292 HydrophobicContact CB-CD2 4.26Å; K290-F292 HydrophobicContact CB-CE2 3.55Å; K290-F292 HydrophobicContact CB-CZ 3.95Å; K290-F292 HydrophobicContact CD-CZ 4.34Å; K290-F292 WeakPolarHBondContact O-CD2 3.33Å; K290-F292 VanDerWaalsContact O-CE2 3.29Å; K290-F292 WeakPolarHBondContact O-CE2 3.34Å; K290-F292 PolarHBondContact O-N 2.81Å; F292-V315 VanDerWaalsContact CA-O 3.31Å; F292-V315 WeakPolarHBondContact CA-O 3.3Å; F292-H316 HydrophobicContact CD1-CB 4.16Å; F292-H316 HydrophobicContact CE1-CB 3.92Å; F292-V347 PolarHBondContact O-N 3.18Å; F292-K352 VanDerWaalsContact CE2-NZ 3.28Å
293C93Very high73.3Confident0 Ų098 Ų980%051%0.507CS..EExtended strand (participates in β ladder)trans-120.4145162.758.30000110.3L314 V315 I317 V344 T345C293-L314 WeakPolarHBondContact O-CA 3.24Å; C293-V315 PolarHBondContact N-O 2.85Å; C293-V315 PolarHBondContact O-N 2.9Å; C293-I317 HydrophobicContact CB-CD1 4.07Å; C293-I317 HydrophobicContact CB-CG1 4.33Å; C293-V344 HydrophobicContact CB-CB 3.83Å; C293-V344 HydrophobicContact CB-CG2 3.8Å; C293-T345 CarbonylContact C-O 3.55Å; C293-T345 WeakPolarHBondContact CA-O 3.18Å; C293-T345 WeakPolarHBondContact CB-O 3.42Å
294K93.4Very high75.3Confident110 Ų11098.1 Ų98.148%0.47851%0.511SS..EExtended strand (participates in β ladder)trans-91.9130.3171.4-174.9179.2178.2-1770108.6K296 E313 L314 V344 T345 V347K294-K296 PolarHBondContact O-N 3.46Å; K294-E313 WeakPolarHBondContact CA-O 3.48Å; K294-L314 HydrophobicContact CB-CD2 3.94Å; K294-L314 HydrophobicContact CG-CD2 4.39Å; K294-V344 CarbonylContact O-C 3.56Å; K294-V344 WeakPolarHBondContact O-CA 3.37Å; K294-T345 PolarHBondContact N-O 3.21Å; K294-T345 PolarHBondContact O-N 2.87Å; K294-V347 HydrophobicContact CB-CG2 3.8Å
295V94.8Very high77.6Confident2 Ų295 Ų951%0.01250%0.501CS..EExtended strand (participates in β ladder)trans-67.3122.6175.9-1760000109.1Y297 L309 K310 G312 E313 V315 V344V295-Y297 WeakPolarHBondContact CG1-O 3.43Å; V295-L309 HydrophobicContact CG1-CB 3.79Å; V295-L309 HydrophobicContact CG1-CD1 4.25Å; V295-L309 HydrophobicContact CG2-CB 3.93Å; V295-L309 HydrophobicContact CG2-CD1 4.17Å; V295-L309 HydrophobicContact CG2-CD2 4.4Å; V295-L309 HydrophobicContact CG2-CG 4.41Å; V295-K310 WeakPolarHBondContact CB-O 3.31Å; V295-K310 VanDerWaalsContact CG1-O 3.28Å; V295-K310 WeakPolarHBondContact CG1-O 3.42Å; V295-G312 PolarHBondContact O-N 3.49Å; V295-E313 HydrophobicContact CG2-CB 4.18Å; V295-E313 WeakPolarHBondContact CG2-O 3.34Å; V295-E313 PolarHBondContact N-O 3.49Å; V295-V315 HydrophobicContact CG2-CG2 3.82Å; V295-V344 HydrophobicContact CG2-CG1 4.41Å
296K91Very high80.2Confident97 Ų9786.8 Ų86.842%0.42247%0.465SS..SBendtrans-91.3-31179.1-173.6-175.1177-163.70111.9K294 F343K294-K296 PolarHBondContact O-N 3.46Å; K296-F343 PolarHBondContact N-O 2.86Å
297Y90.9Very high83Confident114 Ų11482.8 Ų82.845%0.44743%0.432SS..SBendtrans-140.4140.8177.7-55.8-62.6000109.8V295 F343V295-Y297 WeakPolarHBondContact CG1-O 3.43Å; Y297-F343 PolarHBondContact N-O 3.01Å
298A91.4Very high85.4Confident55 Ų5578.6 Ų78.646%0.45541%0.406SS..  trans-63.1145.7175.300000111.8L309A298-L309 WeakPolarHBondContact CA-O 3.24Å
299Y91.9Very high87.7Confident34 Ų3472.9 Ų72.913%0.13337%0.37CS..BIsolated β-bridgetrans-141.5112.4-179.6-179.9-96.9000110.3G301 E306 S308 L309 W327 P340 F343Y299-G301 PolarHBondContact O-N 3.29Å; Y299-E306 PolarHBondContact OH-OE2 3.04Å; Y299-S308 CarbonylContact O-C 3.52Å; Y299-S308 WeakPolarHBondContact O-CA 3.49Å; Y299-L309 PolarHBondContact N-O 2.74Å; Y299-L309 PolarHBondContact O-N 2.99Å; Y299-W327 VanDerWaalsContact OH-CH2 3.27Å; Y299-W327 WeakPolarHBondContact OH-CH2 3.25Å; Y299-P340 HydrophobicContact CD2-CG 4.05Å; Y299-P340 HydrophobicContact CE2-CG 3.71Å; Y299-F343 HydrophobicContact CD2-CD1 4.22Å; Y299-F343 HydrophobicContact CD2-CE1 4.14Å
300D90.6Very high89.5Confident132 Ų13275 Ų7571%0.70637%0.366SS*.  trans-87.398.3174.7-69.1-70000110.2
301G89.1Confident90.2Very high24 Ų2476.7 Ų76.725%0.24738%0.375CS..  trans-60.3133.7170.900000111.8Y299 E306Y299-G301 PolarHBondContact O-N 3.29Å; G301-E306 WeakPolarHBondContact CA-OE2 3.33Å
302K82.7Confident90.2Very high178 Ų17874.5 Ų74.577%0.77438%0.376SS*.  trans-107-27.7-171.8-65.1166.1-170.8158.30113.3E306K302-E306 PolarHBondContact N-OE2 3.43Å
303N83.6Confident90.2Very high103 Ų10375.5 Ų75.555%0.55138%0.381SS*.SBendtrans-101.2161.5178.9-63.6-52.6000110.5D305 E306N303-D305 PolarHBondContact O-N 3.39Å; N303-E306 HydrophobicContact CB-CG 4.11Å; N303-E306 PolarHBondContact ND2-OE1 2.65Å; N303-E306 PolarHBondContact O-N 3.4Å; N303-E306 VanDerWaalsContact O-N 3.07Å
304E84.1Confident90.2Very high201 Ų20179.4 Ų79.494%0.93940%0.401SS*.THydrogen-bonded Turntrans-66.4-27.6-177.9-60-169.4159.900112.3
305D86.9Confident90.2Very high102 Ų10274.2 Ų74.255%0.54538%0.379SS..THydrogen-bonded Turntrans-76.4-13172.6-58.4-90.5000114.7N303 G337 V338N303-D305 PolarHBondContact O-N 3.39Å; D305-G337 CarbonylContact O-C 3.42Å; D305-G337 WeakPolarHBondContact O-CA 3.35Å; D305-V338 PolarHBondContact O-N 2.63Å
306E91.9Very high90.2Very high31 Ų3175.9 Ų75.915%0.14539%0.386CS..BIsolated β-bridgetrans-93.1126.4-171.2-75.7174-158.100113.4Y299 G301 K302 N303 S308 W327 V338Y299-E306 PolarHBondContact OH-OE2 3.04Å; G301-E306 WeakPolarHBondContact CA-OE2 3.33Å; K302-E306 PolarHBondContact N-OE2 3.43Å; N303-E306 HydrophobicContact CB-CG 4.11Å; N303-E306 PolarHBondContact ND2-OE1 2.65Å; N303-E306 PolarHBondContact O-N 3.4Å; N303-E306 VanDerWaalsContact O-N 3.07Å; E306-S308 PolarHBondContact O-N 2.84Å; E306-W327 HydrophobicContact CG-CH2 4.48Å; E306-W327 HydrophobicContact CG-CZ3 4.28Å; E306-V338 WeakPolarHBondContact CA-O 3.43Å; E306-V338 HydrophobicContact CG-CG2 4.24Å
307L90.8Very high90.3Very high1 Ų172 Ų721%0.00537%0.37CS..  trans-82113.4-178.1-160.365.3000111.7L309 V315 I332 R335 V338 F339L307-L309 HydrophobicContact CB-CD2 4.32Å; L307-L309 HydrophobicContact CD2-CD2 4Å; L307-L309 HydrophobicContact CG-CD2 4.04Å; L307-L309 WeakPolarHBondContact O-CG 3.49Å; L307-L309 PolarHBondContact O-N 2.99Å; L307-V315 HydrophobicContact CD2-CG1 3.71Å; L307-I332 HydrophobicContact CD1-CG2 3.87Å; L307-I332 HydrophobicContact CD2-CB 4.4Å; L307-I332 HydrophobicContact CD2-CG2 3.86Å; L307-I332 HydrophobicContact CG-CG2 3.82Å; L307-R335 HydrophobicContact CD1-CB 4.22Å; L307-R335 WeakPolarHBondContact CD1-O 3.23Å; L307-V338 PolarHBondContact N-O 2.93Å; L307-F339 HydrophobicContact CB-CB 4.38Å; L307-F339 HydrophobicContact CB-CD1 4.05Å; L307-F339 HydrophobicContact CD2-CD1 3.8Å; L307-F339 HydrophobicContact CD2-CE1 4.08Å
308S91Very high90.3Very high32 Ų3270.7 Ų70.722%0.22437%0.37CS..  trans-71.8118.4175.71.20000111.5Y299 E306 R335Y299-S308 CarbonylContact O-C 3.52Å; Y299-S308 WeakPolarHBondContact O-CA 3.49Å; E306-S308 PolarHBondContact O-N 2.84Å; S308-R335 PolarHBondContact OG-NH1 3.43Å; S308-R335 VanDerWaalsContact OG-NH1 3.08Å; S308-R335 PolarHBondContact OG-NH2 3.04Å
309L92.9Very high90.1Very high3 Ų370 Ų702%0.01636%0.362CS..BIsolated β-bridgetrans-111141.7-175.8-48.9-174.4000111.9V295 A298 Y299 L307 V315 F339 V344V295-L309 HydrophobicContact CG1-CB 3.79Å; V295-L309 HydrophobicContact CG1-CD1 4.25Å; V295-L309 HydrophobicContact CG2-CB 3.93Å; V295-L309 HydrophobicContact CG2-CD1 4.17Å; V295-L309 HydrophobicContact CG2-CD2 4.4Å; V295-L309 HydrophobicContact CG2-CG 4.41Å; A298-L309 WeakPolarHBondContact CA-O 3.24Å; Y299-L309 PolarHBondContact N-O 2.74Å; Y299-L309 PolarHBondContact O-N 2.99Å; L307-L309 HydrophobicContact CB-CD2 4.32Å; L307-L309 HydrophobicContact CD2-CD2 4Å; L307-L309 HydrophobicContact CG-CD2 4.04Å; L307-L309 WeakPolarHBondContact O-CG 3.49Å; L307-L309 PolarHBondContact O-N 2.99Å; L309-V315 HydrophobicContact CD2-CG2 3.64Å; L309-F339 HydrophobicContact CD1-CB 3.84Å; L309-F339 HydrophobicContact CD1-CD2 3.87Å; L309-F339 HydrophobicContact CD1-CG 3.89Å; L309-F339 HydrophobicContact CD2-CB 4.39Å; L309-F339 HydrophobicContact CD2-CD1 4.4Å; L309-F339 HydrophobicContact CD2-CG 4.3Å; L309-F339 HydrophobicContact CG-CB 4.21Å; L309-F339 HydrophobicContact CG-CG 4.47Å; L309-V344 HydrophobicContact CD1-CG1 3.85Å
310K91.8Very high90Very high121 Ų12171.5 Ų71.553%0.52637%0.37SS..  trans-114.3144.7165.4-52.5173.8-136.867.30111V295 G312 E313V295-K310 WeakPolarHBondContact CB-O 3.31Å; V295-K310 VanDerWaalsContact CG1-O 3.28Å; V295-K310 WeakPolarHBondContact CG1-O 3.42Å; K310-G312 PolarHBondContact O-N 2.91Å; K310-E313 HydrophobicContact CB-CG 4.02Å; K310-E313 WeakPolarHBondContact CB-OE2 3.31Å; K310-E313 PolarHBondContact N-OE2 2.76Å; K310-E313 VanDerWaalsContact N-OE2 3.11Å; K310-E313 IonicContact NZ-OE1 3.44Å; K310-E313 PolarHBondContact NZ-OE1 2.9Å; K310-E313 IonicContact NZ-OE2 3.78Å; K310-E313 PolarHBondContact NZ-OE2 3.31Å; K310-E313 VanDerWaalsContact O-CB 3.32Å; K310-E313 WeakPolarHBondContact O-CB 3.06Å; K310-E313 WeakPolarHBondContact O-CG 3.3Å; K310-E313 PolarHBondContact O-N 3.45Å; K310-E313 VanDerWaalsContact O-N 3.07Å
311E92.9Very high89.6Confident146 Ų14671.9 Ų71.968%0.68237%0.372SS*.THydrogen-bonded Turntrans-50.5130.8178-173.3-178.9149.800112E313E311-E313 VanDerWaalsContact C-N 3.32Å; E311-E313 PolarHBondContact O-N 2.93Å
312G87.4Confident89.2Confident40 Ų4072.9 Ų72.941%0.41237%0.373SS..THydrogen-bonded Turntrans83.7-10.1-17900000116V295 K310V295-G312 PolarHBondContact O-N 3.49Å; K310-G312 PolarHBondContact O-N 2.91Å
313E93Very high88.8Confident60 Ų6068.2 Ų68.228%0.2838%0.376SS..  trans-68.5163174.1-65.9-173.3144.800112K294 V295 K310 E311 I332K294-E313 WeakPolarHBondContact CA-O 3.48Å; V295-E313 HydrophobicContact CG2-CB 4.18Å; V295-E313 WeakPolarHBondContact CG2-O 3.34Å; V295-E313 PolarHBondContact N-O 3.49Å; K310-E313 HydrophobicContact CB-CG 4.02Å; K310-E313 WeakPolarHBondContact CB-OE2 3.31Å; K310-E313 PolarHBondContact N-OE2 2.76Å; K310-E313 VanDerWaalsContact N-OE2 3.11Å; K310-E313 IonicContact NZ-OE1 3.44Å; K310-E313 PolarHBondContact NZ-OE1 2.9Å; K310-E313 IonicContact NZ-OE2 3.78Å; K310-E313 PolarHBondContact NZ-OE2 3.31Å; K310-E313 VanDerWaalsContact O-CB 3.32Å; K310-E313 WeakPolarHBondContact O-CB 3.06Å; K310-E313 WeakPolarHBondContact O-CG 3.3Å; K310-E313 PolarHBondContact O-N 3.45Å; K310-E313 VanDerWaalsContact O-N 3.07Å; E311-E313 VanDerWaalsContact C-N 3.32Å; E311-E313 PolarHBondContact O-N 2.93Å; E313-I332 HydrophobicContact CB-CD1 3.69Å; E313-I332 HydrophobicContact CG-CD1 4.37Å
314L92.9Very high88.4Confident82 Ų8269.2 Ų69.243%0.42938%0.377SS..EExtended strand (participates in β ladder)trans-113.6121.6178.1-72.6169.9000109.8C293 K294C293-L314 WeakPolarHBondContact O-CA 3.24Å; K294-L314 HydrophobicContact CB-CD2 3.94Å; K294-L314 HydrophobicContact CG-CD2 4.39Å
315V93.6Very high88.3Confident0 Ų065.7 Ų65.70%037%0.372CS..EExtended strand (participates in β ladder)trans-103.5139.6175.5-171.40000108.7F292 C293 V295 L307 L309 E331 I332 F339F292-V315 VanDerWaalsContact CA-O 3.31Å; F292-V315 WeakPolarHBondContact CA-O 3.3Å; C293-V315 PolarHBondContact N-O 2.85Å; C293-V315 PolarHBondContact O-N 2.9Å; V295-V315 HydrophobicContact CG2-CG2 3.82Å; L307-V315 HydrophobicContact CD2-CG1 3.71Å; L309-V315 HydrophobicContact CD2-CG2 3.64Å; V315-E331 WeakPolarHBondContact CG1-O 3.48Å; V315-I332 HydrophobicContact CG2-CB 4.41Å; V315-I332 HydrophobicContact CG2-CD1 4.3Å; V315-F339 HydrophobicContact CG1-CD1 4.49Å; V315-F339 HydrophobicContact CG1-CE1 3.67Å; V315-F339 HydrophobicContact CG1-CZ 4Å
316H93.6Very high88.3Confident38 Ų3862.4 Ų62.418%0.17636%0.361CS..EExtended strand (participates in β ladder)trans-87.8119.5171.3178.4-129.4000108.6F292 G330 E331F292-H316 HydrophobicContact CD1-CB 4.16Å; F292-H316 HydrophobicContact CE1-CB 3.92Å; H316-G330 CarbonylContact O-C 3.53Å; H316-G330 WeakPolarHBondContact O-CA 3.39Å; H316-E331 HydrophobicContact CB-CB 4.39Å; H316-E331 PolarHBondContact N-O 3.12Å; H316-E331 IonicContact ND1-OE2 3.72Å; H316-E331 PolarHBondContact O-N 3.32Å
317I93.3Very high88.4Confident14 Ų1463.7 Ų63.77%0.07237%0.365CS..EExtended strand (participates in β ladder)trans-75.5127.7-179.2-55.4177.3000108.8E291 C293 K320 W328 V346E291-I317 HydrophobicContact CB-CB 4.23Å; E291-I317 HydrophobicContact CB-CD1 4.23Å; E291-I317 WeakPolarHBondContact O-CB 2.98Å; E291-I317 PolarHBondContact O-N 3.24Å; C293-I317 HydrophobicContact CB-CD1 4.07Å; C293-I317 HydrophobicContact CB-CG1 4.33Å; I317-K320 HydrophobicContact CG2-CG 3.91Å; I317-W328 HydrophobicContact CD1-CE3 4.06Å; I317-W328 HydrophobicContact CD1-CZ3 4.06Å; I317-V346 HydrophobicContact CD1-CG2 4.15Å
318L90.2Very high88.5Confident87 Ų8765.6 Ų65.646%0.45537%0.372SS..EExtended strand (participates in β ladder)trans-102.8-36.3176.2-67177.1000111.9R329 E331 D336L318-R329 HydrophobicContact CB-CG 4.39Å; L318-R329 PolarHBondContact N-O 2.96Å; L318-E331 HydrophobicContact CD1-CB 4.09Å; L318-E331 HydrophobicContact CG-CB 4.36Å; L318-D336 HydrophobicContact CD1-CB 3.86Å
319S89.1Confident88.6Confident41 Ų4167.9 Ų67.929%0.28738%0.376SS..EExtended strand (participates in β ladder)trans-149.7142.5167.1-168.90000110.6D321 R329S319-D321 PolarHBondContact OG-N 2.97Å; S319-D321 PolarHBondContact OG-O 3.2Å; S319-R329 PolarHBondContact N-O 2.87Å; S319-R329 PolarHBondContact O-N 3.36Å; S319-R329 VanDerWaalsContact O-O 3.09Å
320K89Confident88.6Confident66 Ų6667.8 Ų67.829%0.28738%0.375SS..SBendtrans-90.5-13.3166.2-69.2174178.2153.80112.2E291 I317 W328E291-K320 IonicContact OE1-NZ 3.07Å; E291-K320 PolarHBondContact OE1-NZ 2.86Å; E291-K320 WeakPolarHBondContact OE2-CE 3.48Å; E291-K320 IonicContact OE2-NZ 2.82Å; E291-K320 PolarHBondContact OE2-NZ 3.4Å; I317-K320 HydrophobicContact CG2-CG 3.91Å; K320-W328 VanDerWaalsContact CA-CD1 3.44Å; K320-W328 HydrophobicContact CB-CG 4.45Å; K320-W328 HydrophobicContact CD-CZ2 4.38Å; K320-W328 HydrophobicContact CG-CD2 4.12Å; K320-W328 HydrophobicContact CG-CG 4.39Å; K320-W328 HydrophobicContact CG-CZ2 4.26Å; K320-W328 PolarHBondContact O-NE1 2.82Å
321D82.1Confident88.7Confident140 Ų14065.7 Ų65.775%0.74937%0.367SS*.  trans-11697.8-171.7-49.3-79.3000106.4S319S319-D321 PolarHBondContact OG-N 2.97Å; S319-D321 PolarHBondContact OG-O 3.2Å
322T80Confident88.6Confident44 Ų4460 Ų6027%0.2734%0.342SS..  trans-111.97.4-172.3-37.50000111.9E324 W327 R329 V338T322-E324 PolarHBondContact O-N 3.47Å; T322-E324 VanDerWaalsContact O-N 3.12Å; T322-W327 WeakPolarHBondContact CB-O 3.15Å; T322-W327 PolarHBondContact OG1-O 2.78Å; T322-R329 HydrophobicContact CG2-CB 4.43Å; T322-R329 PolarHBondContact OG1-N 2.98Å; T322-V338 HydrophobicContact CG2-CG1 3.64Å
323G74.4Confident88.4Confident81 Ų8162.3 Ų62.384%0.83537%0.365SS*.SBendtrans80-41-168.700000113.1
324E76.3Confident87.9Confident123 Ų12362.4 Ų62.458%0.57538%0.382SS*.SBendtrans-84.9120.7174.9-66.5-170.6-16200112.5T322 G326 W327T322-E324 PolarHBondContact O-N 3.47Å; T322-E324 VanDerWaalsContact O-N 3.12Å; E324-G326 PolarHBondContact O-N 3.38Å; E324-W327 HydrophobicContact CB-CB 4.23Å; E324-W327 HydrophobicContact CB-CG 4.27Å; E324-W327 PolarHBondContact O-N 2.98Å; E324-W327 PolarHBondContact OE2-NE1 3.05Å
325P81.8Confident87.5Confident128 Ų12864.8 Ų64.883%0.83139%0.385SS*.THydrogen-bonded Turntrans-65.6129.3178.426.5-33.5000110.8
326G86.6Confident87.5Confident32 Ų3269 Ų6933%0.3341%0.408SS..THydrogen-bonded Turntrans93.5-4.6-17700000115.2E324 P340 N341E324-G326 PolarHBondContact O-N 3.38Å; G326-P340 CarbonylContact O-C 3.51Å; G326-P340 WeakPolarHBondContact O-CA 3.23Å; G326-N341 VanDerWaalsContact O-CG 3.25Å; G326-N341 PolarHBondContact O-N 3.29Å; G326-N341 PolarHBondContact O-OD1 3.28Å
327W92.9Very high87.4Confident58 Ų5867.2 Ų67.222%0.2240%0.4CS..EExtended strand (participates in β ladder)trans-112.3133.1177.7-67.987.7000112.5Y299 E306 T322 E324 V338 F339 P340Y299-W327 VanDerWaalsContact OH-CH2 3.27Å; Y299-W327 WeakPolarHBondContact OH-CH2 3.25Å; E306-W327 HydrophobicContact CG-CH2 4.48Å; E306-W327 HydrophobicContact CG-CZ3 4.28Å; T322-W327 WeakPolarHBondContact CB-O 3.15Å; T322-W327 PolarHBondContact OG1-O 2.78Å; E324-W327 HydrophobicContact CB-CB 4.23Å; E324-W327 HydrophobicContact CB-CG 4.27Å; E324-W327 PolarHBondContact O-N 2.98Å; E324-W327 PolarHBondContact OE2-NE1 3.05Å; W327-V338 HydrophobicContact CE3-CB 4.11Å; W327-V338 HydrophobicContact CE3-CG2 3.82Å; W327-V338 HydrophobicContact CZ3-CG2 3.98Å; W327-F339 WeakPolarHBondContact CA-O 3.41Å; W327-P340 HydrophobicContact CD2-CG 4.48Å; W327-P340 HydrophobicContact CE3-CG 4.14Å; W327-P340 HydrophobicContact CH2-CG 4.08Å; W327-P340 HydrophobicContact CZ2-CG 4.37Å; W327-P340 HydrophobicContact CZ3-CG 3.93Å
328W94.2Very high87.4Confident42 Ų4267.6 Ų67.616%0.15940%0.403CS..EExtended strand (participates in β ladder)trans-114.8143.4175.6-69.1-9.1000110.3I317 K320 V338 F339 N341 V344 V346I317-W328 HydrophobicContact CD1-CE3 4.06Å; I317-W328 HydrophobicContact CD1-CZ3 4.06Å; K320-W328 VanDerWaalsContact CA-CD1 3.44Å; K320-W328 HydrophobicContact CB-CG 4.45Å; K320-W328 HydrophobicContact CD-CZ2 4.38Å; K320-W328 HydrophobicContact CG-CD2 4.12Å; K320-W328 HydrophobicContact CG-CG 4.39Å; K320-W328 HydrophobicContact CG-CZ2 4.26Å; K320-W328 PolarHBondContact O-NE1 2.82Å; W328-V338 CarbonylContact O-C 3.51Å; W328-V338 WeakPolarHBondContact O-CA 3.36Å; W328-F339 HydrophobicContact CB-CE2 3.99Å; W328-F339 HydrophobicContact CB-CZ 3.96Å; W328-F339 HydrophobicContact CE3-CE2 4.34Å; W328-F339 PolarHBondContact N-O 2.85Å; W328-F339 WeakPolarHBondContact O-CD1 3.36Å; W328-F339 PolarHBondContact O-N 2.81Å; W328-N341 HydrophobicContact CD2-CB 3.41Å; W328-N341 VanDerWaalsContact CD2-CB 3.41Å; W328-N341 VanDerWaalsContact CE2-CB 3.43Å; W328-N341 HydrophobicContact CE3-CB 3.82Å; W328-N341 HydrophobicContact CG-CB 3.76Å; W328-N341 HydrophobicContact CH2-CB 4.2Å; W328-N341 HydrophobicContact CZ2-CB 3.86Å; W328-N341 HydrophobicContact CZ3-CB 4.19Å; W328-V344 HydrophobicContact CE3-CG2 3.83Å; W328-V344 HydrophobicContact CZ3-CG2 3.71Å; W328-V346 HydrophobicContact CH2-CG2 3.51Å; W328-V346 HydrophobicContact CZ3-CG2 3.55Å
329R92.1Very high87.6Confident80 Ų8063.5 Ų63.530%0.30238%0.381SS..EExtended strand (participates in β ladder)trans-92.7135.5170-174.7174.1-71.3-93.5-3109.9L318 S319 T322 D336 G337 V338L318-R329 HydrophobicContact CB-CG 4.39Å; L318-R329 PolarHBondContact N-O 2.96Å; S319-R329 PolarHBondContact N-O 2.87Å; S319-R329 PolarHBondContact O-N 3.36Å; S319-R329 VanDerWaalsContact O-O 3.09Å; T322-R329 HydrophobicContact CG2-CB 4.43Å; T322-R329 PolarHBondContact OG1-N 2.98Å; R329-D336 IonicContact NH1-OD2 3.11Å; R329-D336 PolarHBondContact NH1-OD2 3.05Å; R329-G337 WeakPolarHBondContact CA-O 3.33Å; R329-V338 HydrophobicContact CB-CG1 4.45Å
330G93.5Very high87.8Confident0 Ų062.5 Ų62.50%037%0.374CS..EExtended strand (participates in β ladder)trans-157.1-177.1175.200000113H316 D336 G337H316-G330 CarbonylContact O-C 3.53Å; H316-G330 WeakPolarHBondContact O-CA 3.39Å; G330-D336 CarbonylContact O-C 3.58Å; G330-D336 WeakPolarHBondContact O-CA 3.06Å; G330-G337 PolarHBondContact N-O 2.86Å; G330-G337 PolarHBondContact O-N 2.97Å
331E93.4Very high88Confident78 Ų7861.9 Ų61.936%0.36437%0.373SS..EExtended strand (participates in β ladder)trans-125.6132.2-175.3-168-162.5157.300110.5V315 H316 L318 R335V315-E331 WeakPolarHBondContact CG1-O 3.48Å; H316-E331 HydrophobicContact CB-CB 4.39Å; H316-E331 PolarHBondContact N-O 3.12Å; H316-E331 IonicContact ND1-OE2 3.72Å; H316-E331 PolarHBondContact O-N 3.32Å; L318-E331 HydrophobicContact CD1-CB 4.09Å; L318-E331 HydrophobicContact CG-CB 4.36Å; E331-R335 CarbonylContact C-O 3.54Å; E331-R335 VanDerWaalsContact CA-O 3.32Å; E331-R335 WeakPolarHBondContact CA-O 3.48Å
332I91.4Very high88.5Confident27 Ų2760.8 Ų60.814%0.13837%0.368CS..EExtended strand (participates in β ladder)trans-138124.7167.2-166.5174.6000111.2L307 E313 V315 G334 R335L307-I332 HydrophobicContact CD1-CG2 3.87Å; L307-I332 HydrophobicContact CD2-CB 4.4Å; L307-I332 HydrophobicContact CD2-CG2 3.86Å; L307-I332 HydrophobicContact CG-CG2 3.82Å; E313-I332 HydrophobicContact CB-CD1 3.69Å; E313-I332 HydrophobicContact CG-CD1 4.37Å; V315-I332 HydrophobicContact CG2-CB 4.41Å; V315-I332 HydrophobicContact CG2-CD1 4.3Å; I332-G334 VanDerWaalsContact C-N 3.27Å; I332-G334 PolarHBondContact O-N 3.39Å; I332-R335 PolarHBondContact N-O 2.83Å; I332-R335 PolarHBondContact O-N 3.46Å
333G82.3Confident89Confident87 Ų8761.9 Ų61.990%0.89737%0.369SS*.THydrogen-bonded Turntrans63.226.3176.200000115
334G84.1Confident89.9Confident62 Ų6258.5 Ų58.564%0.63933%0.332SS*.THydrogen-bonded Turntrans81.115.1-178.200000115.1I332I332-G334 VanDerWaalsContact C-N 3.27Å; I332-G334 PolarHBondContact O-N 3.39Å
335R84.8Confident90.6Very high132 Ų13256.3 Ų56.350%0.49833%0.327SS..EExtended strand (participates in β ladder)trans-111.1135.6160.2-64.6-178.3-63.3148.88.1108.4L307 S308 E331 I332L307-R335 HydrophobicContact CD1-CB 4.22Å; L307-R335 WeakPolarHBondContact CD1-O 3.23Å; S308-R335 PolarHBondContact OG-NH1 3.43Å; S308-R335 VanDerWaalsContact OG-NH1 3.08Å; S308-R335 PolarHBondContact OG-NH2 3.04Å; E331-R335 CarbonylContact C-O 3.54Å; E331-R335 VanDerWaalsContact CA-O 3.32Å; E331-R335 WeakPolarHBondContact CA-O 3.48Å; I332-R335 PolarHBondContact N-O 2.83Å; I332-R335 PolarHBondContact O-N 3.46Å
336D91.9Very high91Very high89 Ų8952.6 Ų52.648%0.47630%0.302SS..EExtended strand (participates in β ladder)trans-99.3164.4163.879.8-75.5000111.6L318 R329 G330L318-D336 HydrophobicContact CD1-CB 3.86Å; R329-D336 IonicContact NH1-OD2 3.11Å; R329-D336 PolarHBondContact NH1-OD2 3.05Å; G330-D336 CarbonylContact O-C 3.58Å; G330-D336 WeakPolarHBondContact O-CA 3.06Å
337G92.7Very high91.1Very high1 Ų152.3 Ų52.31%0.0129%0.293CS..EExtended strand (participates in β ladder)trans168.2175.4178.700000112.5D305 R329 G330D305-G337 CarbonylContact O-C 3.42Å; D305-G337 WeakPolarHBondContact O-CA 3.35Å; R329-G337 WeakPolarHBondContact CA-O 3.33Å; G330-G337 PolarHBondContact N-O 2.86Å; G330-G337 PolarHBondContact O-N 2.97Å
338V93.8Very high90.4Very high22 Ų2253.1 Ų53.113%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-93.5144.5178.4-530000111.3D305 E306 L307 T322 W327 W328 R329D305-V338 PolarHBondContact O-N 2.63Å; E306-V338 WeakPolarHBondContact CA-O 3.43Å; E306-V338 HydrophobicContact CG-CG2 4.24Å; L307-V338 PolarHBondContact N-O 2.93Å; T322-V338 HydrophobicContact CG2-CG1 3.64Å; W327-V338 HydrophobicContact CE3-CB 4.11Å; W327-V338 HydrophobicContact CE3-CG2 3.82Å; W327-V338 HydrophobicContact CZ3-CG2 3.98Å; W328-V338 CarbonylContact O-C 3.51Å; W328-V338 WeakPolarHBondContact O-CA 3.36Å; R329-V338 HydrophobicContact CB-CG1 4.45Å
339F94.2Very high89Confident0 Ų055.9 Ų55.90%032%0.321CS..EExtended strand (participates in β ladder)trans-148.1155.6175.158.3-91.4000111.8L307 L309 V315 W327 W328 N341 V344L307-F339 HydrophobicContact CB-CB 4.38Å; L307-F339 HydrophobicContact CB-CD1 4.05Å; L307-F339 HydrophobicContact CD2-CD1 3.8Å; L307-F339 HydrophobicContact CD2-CE1 4.08Å; L309-F339 HydrophobicContact CD1-CB 3.84Å; L309-F339 HydrophobicContact CD1-CD2 3.87Å; L309-F339 HydrophobicContact CD1-CG 3.89Å; L309-F339 HydrophobicContact CD2-CB 4.39Å; L309-F339 HydrophobicContact CD2-CD1 4.4Å; L309-F339 HydrophobicContact CD2-CG 4.3Å; L309-F339 HydrophobicContact CG-CB 4.21Å; L309-F339 HydrophobicContact CG-CG 4.47Å; V315-F339 HydrophobicContact CG1-CD1 4.49Å; V315-F339 HydrophobicContact CG1-CE1 3.67Å; V315-F339 HydrophobicContact CG1-CZ 4Å; W327-F339 WeakPolarHBondContact CA-O 3.41Å; W328-F339 HydrophobicContact CB-CE2 3.99Å; W328-F339 HydrophobicContact CB-CZ 3.96Å; W328-F339 HydrophobicContact CE3-CE2 4.34Å; W328-F339 PolarHBondContact N-O 2.85Å; W328-F339 WeakPolarHBondContact O-CD1 3.36Å; W328-F339 PolarHBondContact O-N 2.81Å; F339-N341 PolarHBondContact O-N 2.73Å; F339-V344 HydrophobicContact CD2-CG1 3.88Å; F339-V344 HydrophobicContact CE2-CB 4.37Å; F339-V344 HydrophobicContact CE2-CG1 3.63Å; F339-V344 HydrophobicContact CE2-CG2 3.81Å
340P92.3Very high87.4Confident20 Ų2056.5 Ų56.513%0.1334%0.343CS..EExtended strand (participates in β ladder)trans-69.2128.6179.5-19.833.4000112.2Y299 G326 W327 N342 F343Y299-P340 HydrophobicContact CD2-CG 4.05Å; Y299-P340 HydrophobicContact CE2-CG 3.71Å; G326-P340 CarbonylContact O-C 3.51Å; G326-P340 WeakPolarHBondContact O-CA 3.23Å; W327-P340 HydrophobicContact CD2-CG 4.48Å; W327-P340 HydrophobicContact CE3-CG 4.14Å; W327-P340 HydrophobicContact CH2-CG 4.08Å; W327-P340 HydrophobicContact CZ2-CG 4.37Å; W327-P340 HydrophobicContact CZ3-CG 3.93Å; P340-N342 VanDerWaalsContact C-N 3.32Å; P340-N342 PolarHBondContact O-N 3.47Å; P340-F343 HydrophobicContact CB-CD2 3.79Å; P340-F343 HydrophobicContact CB-CE2 4.33Å; P340-F343 HydrophobicContact CB-CG 4.48Å; P340-F343 HydrophobicContact CG-CD2 4.34Å; P340-F343 WeakPolarHBondContact O-CB 3.38Å; P340-F343 PolarHBondContact O-N 2.72Å; P340-F343 VanDerWaalsContact O-N 3.12Å
341N93.1Very high85.7Confident53 Ų5363 Ų6328%0.28337%0.374SS..G310 helixtrans-65.8-31.1-174.167.86.3000113.8G326 W328 F339 F343 V344G326-N341 VanDerWaalsContact O-CG 3.25Å; G326-N341 PolarHBondContact O-N 3.29Å; G326-N341 PolarHBondContact O-OD1 3.28Å; W328-N341 HydrophobicContact CD2-CB 3.41Å; W328-N341 VanDerWaalsContact CD2-CB 3.41Å; W328-N341 VanDerWaalsContact CE2-CB 3.43Å; W328-N341 HydrophobicContact CE3-CB 3.82Å; W328-N341 HydrophobicContact CG-CB 3.76Å; W328-N341 HydrophobicContact CH2-CB 4.2Å; W328-N341 HydrophobicContact CZ2-CB 3.86Å; W328-N341 HydrophobicContact CZ3-CB 4.19Å; F339-N341 PolarHBondContact O-N 2.73Å; N341-F343 PolarHBondContact O-N 3.3Å; N341-F343 VanDerWaalsContact O-N 3.17Å; N341-V344 WeakPolarHBondContact O-CG2 3.29Å; N341-V344 PolarHBondContact O-N 2.73Å; N341-V344 VanDerWaalsContact O-N 3.08Å
342N93.8Very high84.1Confident118 Ų11863.8 Ų63.863%0.63138%0.376SS*.G310 helixtrans-66.2-14.4176.6-165.714.1000113.2P340 V344P340-N342 VanDerWaalsContact C-N 3.32Å; P340-N342 PolarHBondContact O-N 3.47Å; N342-V344 VanDerWaalsContact C-N 3.31Å
343F89.9Confident82.2Confident67 Ų6772 Ų7229%0.29441%0.413SS..G310 helixtrans-86.4-3.2175.7-76.8-118.3000112.6K296 Y297 Y299 P340 N341K296-F343 PolarHBondContact N-O 2.86Å; Y297-F343 PolarHBondContact N-O 3.01Å; Y299-F343 HydrophobicContact CD2-CD1 4.22Å; Y299-F343 HydrophobicContact CD2-CE1 4.14Å; P340-F343 HydrophobicContact CB-CD2 3.79Å; P340-F343 HydrophobicContact CB-CE2 4.33Å; P340-F343 HydrophobicContact CB-CG 4.48Å; P340-F343 HydrophobicContact CG-CD2 4.34Å; P340-F343 WeakPolarHBondContact O-CB 3.38Å; P340-F343 PolarHBondContact O-N 2.72Å; P340-F343 VanDerWaalsContact O-N 3.12Å; N341-F343 PolarHBondContact O-N 3.3Å; N341-F343 VanDerWaalsContact O-N 3.17Å
344V92.1Very high80.2Confident10 Ų1071.8 Ų71.86%0.06140%0.404CS..EExtended strand (participates in β ladder)trans-127.5170.4179.6-54.90000112.1C293 K294 V295 L309 W328 F339 N341 N342C293-V344 HydrophobicContact CB-CB 3.83Å; C293-V344 HydrophobicContact CB-CG2 3.8Å; K294-V344 CarbonylContact O-C 3.56Å; K294-V344 WeakPolarHBondContact O-CA 3.37Å; V295-V344 HydrophobicContact CG2-CG1 4.41Å; L309-V344 HydrophobicContact CD1-CG1 3.85Å; W328-V344 HydrophobicContact CE3-CG2 3.83Å; W328-V344 HydrophobicContact CZ3-CG2 3.71Å; F339-V344 HydrophobicContact CD2-CG1 3.88Å; F339-V344 HydrophobicContact CE2-CB 4.37Å; F339-V344 HydrophobicContact CE2-CG1 3.63Å; F339-V344 HydrophobicContact CE2-CG2 3.81Å; N341-V344 WeakPolarHBondContact O-CG2 3.29Å; N341-V344 PolarHBondContact O-N 2.73Å; N341-V344 VanDerWaalsContact O-N 3.08Å; N342-V344 VanDerWaalsContact C-N 3.31Å
345T92Very high78.5Confident77 Ų7773.3 Ų73.347%0.47241%0.41SS..EExtended strand (participates in β ladder)trans-134.8124.2170.6-58.60000107.9C293 K294 V347C293-T345 CarbonylContact C-O 3.55Å; C293-T345 WeakPolarHBondContact CA-O 3.18Å; C293-T345 WeakPolarHBondContact CB-O 3.42Å; K294-T345 PolarHBondContact N-O 3.21Å; K294-T345 PolarHBondContact O-N 2.87Å; T345-V347 PolarHBondContact O-N 2.86Å
346V91.1Very high76.9Confident50 Ų5073.1 Ų73.130%0.30343%0.426SS..EExtended strand (participates in β ladder)trans-63.8127.9177.2-175.70000108.6I317 W328I317-V346 HydrophobicContact CD1-CG2 4.15Å; W328-V346 HydrophobicContact CH2-CG2 3.51Å; W328-V346 HydrophobicContact CZ3-CG2 3.55Å
347V88.3Confident74.6Confident25 Ų2574.5 Ų74.515%0.15244%0.443CS..EExtended strand (participates in β ladder)trans-112.1110.4176.7179.80000107.3F292 K294 T345 E351F292-V347 PolarHBondContact O-N 3.18Å; K294-V347 HydrophobicContact CB-CG2 3.8Å; T345-V347 PolarHBondContact O-N 2.86Å; V347-E351 HydrophobicContact CG1-CB 4.22Å
348P78Confident71.8Confident76 Ų7686.7 Ų86.749%0.49449%0.488SS..  trans-62.3143.7176.827-33000110A350 E351P348-A350 PolarHBondContact O-N 2.61Å; P348-E351 HydrophobicContact CG-CG 4.33Å; P348-E351 PolarHBondContact O-N 3Å; P348-E351 VanDerWaalsContact O-N 3.14Å
349E64.2Low68.7Low100 Ų10089.3 Ų89.347%0.46752%0.52SS..G310 helixtrans-60.5-18.7-167.6-164.4156.9-159.100113.7K290 E351K290-E349 PolarHBondContact N-OE2 2.85Å; K290-E349 VanDerWaalsContact N-OE2 3.12Å; E349-E351 PolarHBondContact O-N 2.77Å
350A58.5Low65.6Low93 Ų9395.2 Ų95.277%0.76956%0.561SS**G310 helixtrans-67.8-22.2177.100000115.8P348 K352P348-A350 PolarHBondContact O-N 2.61Å; A350-K352 VanDerWaalsContact C-N 3.32Å; A350-K352 PolarHBondContact O-N 2.8Å
351E57.9Low62.8Low137 Ų137100.9 Ų100.964%0.6460%0.595SS**G310 helixtrans-84.81.8-174.8-66.9-169.4156.700114.5V347 P348 E349V347-E351 HydrophobicContact CG1-CB 4.22Å; P348-E351 HydrophobicContact CG-CG 4.33Å; P348-E351 PolarHBondContact O-N 3Å; P348-E351 VanDerWaalsContact O-N 3.14Å; E349-E351 PolarHBondContact O-N 2.77Å
352K59.2Low59.8Low94 Ų94108.2 Ų108.241%0.40963%0.625SS.*G310 helixtrans-81-12.1-173.7-81.3-178.8177.3172.80116.1F292 A350 A354F292-K352 VanDerWaalsContact CE2-NZ 3.28Å; A350-K352 VanDerWaalsContact C-N 3.32Å; A350-K352 PolarHBondContact O-N 2.8Å; K352-A354 PolarHBondContact O-N 3.36Å
353E51.4Low56.6Low198 Ų198108.5 Ų108.593%0.92564%0.636SS**  trans-95.435.5-175.7-62.2-142.5122.100114.8
354A41.8Very low53.8Low84 Ų84113.7 Ų113.769%0.69467%0.666SS**SBendtrans-11720.4-174.400000116.8K352K352-A354 PolarHBondContact O-N 3.36Å
355A48.4Very low50.9Low94 Ų94117.7 Ų117.778%0.77770%0.7SS**  trans63.8175.4160.500000117.5
356P49.9Very low47.9Very low128 Ų128123.3 Ų123.383%0.83172%0.717SS**  cis-116.8-179.4-9.641.7-29.1000114.1
357S43.1Very low45.1Very low117 Ų117126.2 Ų126.282%0.81874%0.737SS**  trans-82.4147.1-174.455.80000114.8
358R34.8Very low42.2Very low257 Ų257132.9 Ų132.997%0.9777%0.767SS**  trans-142.498151.8-149.9172.2-167.9163.94.3108.9
359G28.7Very low39.9Very low77 Ų77134.5 Ų134.579%0.79478%0.775SS**  trans-87.1155.6-165.100000115.1
360S30.2Very low38.3Very low124 Ų124137.9 Ų137.987%0.86779%0.791SS**  trans-148.392.4149.9-169.90000109
361V32.2Very low37Very low140 Ų140140.9 Ų140.985%0.84879%0.789SS**  trans-88.4124173.2-75.60000110
362K30.4Very low35.7Very low207 Ų207143.2 Ų143.290%0.980%0.797SS**  trans-167.169.1151-111.7164.2-172.11790113.8
363S26.5Very low34.4Very low124 Ų124146.5 Ų146.587%0.86782%0.818SS**  trans-128.3108.5150-66.60000106.6
364L31.9Very low34.3Very low176 Ų176141.7 Ų141.792%0.92181%0.805SS**  trans-115.3122.5-178.3-143.978.6000109.6
365A31.3Very low33.7Very low94 Ų94147.1 Ų147.178%0.77781%0.812SS**  trans-77.2161.7173.200000111.4
366K27.2Very low32.7Very low194 Ų194152.3 Ų152.384%0.84382%0.818SS**  trans-88.8139.7-174.1177.3-176178.6-1740112.2
367P33.1Very low32.2Very low111 Ų111151.8 Ų151.872%0.72181%0.814SS**  -123.9172129.937.1-29.5000109.9
368E26.6Very low32.5Very low165 Ų165151.7 Ų151.777%0.77181%0.811SS**  cis-167.3177-33.8-165.9176.896.600105.4
369V30.6Very low33.3Very low111 Ų111145 Ų14567%0.67380%0.8SS**  trans79.2127.9164.4-174.20000119.1
370E30.4Very low33.3Very low171 Ų171149.1 Ų149.180%0.79980%0.803SS**  trans30.2118158.1-69.717267.500125.8
371E31.7Very low33.5Very low156 Ų156147.4 Ų147.473%0.72980%0.797SS**  64.6142117.8-130-17197.100124.7
372K30.3Very low33.5Very low185 Ų185145.6 Ų145.680%0.80479%0.79SS**  trans90.5126.7160.6-57.3-167.7-177178.50120.7
373L32.2Very low33.6Very low163 Ų163143.7 Ų143.785%0.85378%0.782SS**  trans-89.2178168.9-69.9161.1000110.1
374P48.9Very low34.3Very low98 Ų98142.2 Ų142.264%0.63677%0.77SS**  cis-139.2-179.2-41.435.1-16.9000114.2
375K29.9Very low34.2Very low198 Ų198141 Ų14186%0.86176%0.759SS**  trans112.8153.8153.9-61.7161.7-179.3176.10119.1
376K28Very low35.4Very low203 Ų203141.6 Ų141.688%0.88376%0.755SS**  trans-62164.5172.6-66.5174.4165.31760112.1
377P39Very low36.3Very low116 Ų116138.3 Ų138.375%0.75375%0.753SS**  cis-141.5177.47.545.6-28000117.9
378P48.8Very low36.2Very low116 Ų116137.1 Ų137.175%0.75375%0.753SS**  trans-81.6-176.5163.237-38.2000112.7
379P51.8Low36.7Very low116 Ų116135.6 Ų135.675%0.75376%0.755SS**  cis-143.9-171.91844.1-22.7000118.6
380L28.5Very low36.7Very low163 Ų163136.9 Ų136.985%0.85375%0.753SS**  trans72.6110.3144.8-136.178.2000123.9
381A33.3Very low36.9Very low88 Ų88137.2 Ų137.273%0.72775%0.747SS**  trans57.1174.4140.600000120.2
382S33.8Very low36.9Very low103 Ų103138.7 Ų138.772%0.7275%0.751SS**  cis-158.5154.46.1-25.40000113.3
383K31.4Very low36.7Very low167 Ų167134.2 Ų134.273%0.72674%0.743SS**  trans63.6167.5145.1-75.6-150.774.6172.30119.3E385K383-E385 WeakPolarHBondContact CE-OE2 3.25Å; K383-E385 IonicContact NZ-OE2 2.72Å; K383-E385 PolarHBondContact NZ-OE2 3.34Å
384P41.2Very low36.6Very low93 Ų93133.5 Ų133.560%0.60474%0.739SS**  cis-150.7174.5-43.743.9-27.3000119.5
385E29.6Very low35.6Very low151 Ų151135.2 Ų135.271%0.70674%0.743SS**  trans80.3159.8135.1-84.5169.986.800121.6K383K383-E385 WeakPolarHBondContact CE-OE2 3.25Å; K383-E385 IonicContact NZ-OE2 2.72Å; K383-E385 PolarHBondContact NZ-OE2 3.34Å
386P56.3Low35.7Very low106 Ų106134 Ų13469%0.68874%0.74SS**  trans-129.3-164.8-131.944.4-24.2000113.7
387P47.6Very low35.8Very low124 Ų124135.5 Ų135.581%0.80574%0.74SS**  -128.2-152.572.924.20.1000111
388A30.9Very low36.3Very low87 Ų87134.8 Ų134.872%0.71974%0.735SS**  cis-153.1-116.41200000114.6
389V37.2Very low35.3Very low133 Ų133136.1 Ų136.181%0.80674%0.736SS**  trans-156.4159.6-164.7-1190000109.3
390E29Very low34.2Very low137 Ų137139.5 Ų139.564%0.6474%0.739SS**  -137.4144.358.1-69.3-144.2114.900117.4
391R34.9Very low34.4Very low179 Ų179142.9 Ų142.968%0.67574%0.741SS**  trans44.6118.4132.6-60.7172.3177.7159.5-3.1117.1
392K32.6Very low34.7Very low186 Ų186144.6 Ų144.681%0.80974%0.744SS**  cis-164.3172.135.6-87.9127.3177.1-178.90110.2
393S26.7Very low34.5Very low91 Ų91145.7 Ų145.764%0.63674%0.742SS**  cis-178.5146-31.1-89.70000109.9
394I28Very low34.8Very low149 Ų149144 Ų14476%0.76474%0.737SS**  trans71.2115.2157.2-64.7163000116.8
395N29.2Very low34.7Very low133 Ų133149.6 Ų149.671%0.71175%0.746SS**  cis84140.639.3-69.8-13.4000114.5
396H32.4Very low34.9Very low173 Ų173145.8 Ų145.880%0.80175%0.746SS**  cis-171.6-166.5-19.8-141.9-7.8000108.8
397R29.6Very low33.7Very low235 Ų235146.5 Ų146.589%0.88775%0.745SS**  trans74.6162.6166.8-78.8-159.2106.3155.54.7118.9
398P49.2Very low33.1Very low100 Ų100147.7 Ų147.765%0.64974%0.737SS**  trans-136-168.1-151.243-23.5000115.9
399D27.8Very low33.5Very low144 Ų144151.3 Ų151.377%0.7774%0.739SS**  trans80.3170.3153.2-128.9-44.6000119
400F29.6Very low33.4Very low187 Ų187150.9 Ų150.982%0.8274%0.737SS**  trans75.8126.1177.7-68.5-85.8000120.1
401R32.8Very low34.4Very low235 Ų235150 Ų15089%0.88774%0.743SS**  trans-91.5151.1141.8-63.4-175.9179.9-169.20.5108.3
402P38.8Very low34.1Very low123 Ų123148.3 Ų148.380%0.79974%0.743SS**  -139.1-174.195.315.18.7000112.1
403D29.7Very low34.8Very low126 Ų126144.2 Ų144.267%0.67474%0.735SS**  cis177.8137-33.1-177.1-124.2000108.5
404E37.6Very low35.1Very low132 Ų132147.6 Ų147.662%0.61774%0.738SS**  trans49176.3165.7-71-162.2106.400119.6
405R38.9Very low35.3Very low211 Ų211146.9 Ų146.980%0.79674%0.735SS**  cis-154.1164.8-10.4-127.2170.6-73.3158.9-5.2105.6
406G33.2Very low35.7Very low70 Ų70149.1 Ų149.172%0.72274%0.741SS**  cis-171.4171.4-0.900000106.5
407D32.8Very low35.9Very low122 Ų122150.1 Ų150.165%0.65274%0.743SS**  -174.9139.161.5-167.6-128.4000112.3
408K34.6Very low36.5Very low149 Ų149144.5 Ų144.565%0.64874%0.737SS**  trans49.2144.9157.2-64.8176.8-165.375.80121.4
409H37.9Very low36.3Very low162 Ų162145.5 Ų145.575%0.7574%0.744SS**  cis-152.3162.7-3.8-122.9-48.6000113.1
410T36.1Very low37Very low124 Ų124143 Ų14376%0.76174%0.743SS**  trans-96.6-178.2-176.516.90000113
411P49.1Very low37.8Very low120 Ų120140.1 Ų140.178%0.77974%0.743SS**  cis-145.717527.541.7-19.4000121.3
412E30.1Very low38.5Very low142 Ų142136.4 Ų136.466%0.66474%0.741SS**  trans-5.8173154.4-96.9-157102.400123.8K414E412-K414 IonicContact OE1-NZ 2.63Å; E412-K414 PolarHBondContact OE1-NZ 2.72Å; E412-K414 IonicContact OE2-NZ 3.94Å
413P46.7Very low38.9Very low100 Ų100135.4 Ų135.465%0.64973%0.734SS**  cis-142.7157.41.734.5-12.3000120.5
414K33.6Very low40Very low162 Ų162135.7 Ų135.770%0.70474%0.743SS**  trans64.9132.3132.8-69.4179.117981.30126.9E412E412-K414 IonicContact OE1-NZ 2.63Å; E412-K414 PolarHBondContact OE1-NZ 2.72Å; E412-K414 IonicContact OE2-NZ 3.94Å
415L32.2Very low40.2Very low134 Ų134139 Ų13970%0.70276%0.755SS**  trans86.7115.5137.8-92.786.3000126.2
416H37.1Very low40.3Very low181 Ų181138.2 Ų138.284%0.83876%0.758SS**  trans94.3161131.7-78.235.9000125
417K36.7Very low40.7Very low193 Ų193141 Ų14184%0.83976%0.763SS**  trans-91.9168.4-165.1-116.4177.6-176.51780113
418P41.3Very low41.2Very low118 Ų118141.3 Ų141.377%0.76677%0.769SS**  -143.6-129.76032.9-4.9000117
419P45.8Very low41.8Very low121 Ų121139.9 Ų139.979%0.78678%0.775SS**  -124-176.6-112.941.8-23.3000117.3
420A43.1Very low41.8Very low90 Ų90140 Ų14074%0.74478%0.779SS**PPolyproline II helixtrans-84.1156.2-174.900000115.6
421P45.9Very low42.2Very low128 Ų128139.3 Ų139.383%0.83178%0.777SS**PPolyproline II helixtrans-83.4155.6176.734.3-35.5000113.9
422N46.4Very low42.1Very low157 Ų157139.3 Ų139.384%0.8478%0.777SS**PPolyproline II helixtrans-100.7159.3178.3-94.4-48.7000112.7
423P48.2Very low42.3Very low101 Ų101142.7 Ų142.766%0.65679%0.79SS**PPolyproline II helixtrans-72.8154.8-179.830.3-36.1000113.7
424P52.8Low41.9Very low132 Ų132147.4 Ų147.486%0.85780%0.8SS**PPolyproline II helixtrans-70.4150.8-179.529.5-35.4000112.9
425K41.5Very low42.6Very low201 Ų201145.9 Ų145.987%0.87481%0.806SS**  trans-108.6152.3-179.1-69.7-176.8178.3179.30112.6
426K42.2Very low42.8Very low195 Ų195146.3 Ų146.385%0.84881%0.805SS**  trans-66.7145.8177.1-53.7178-178.5-176.60112.2
427P41.5Very low42.9Very low128 Ų128146 Ų14683%0.83180%0.801SS**  trans-84.7145.6161.734.1-32.1000111.9
428V42.7Very low43.5Very low129 Ų129141.9 Ų141.978%0.78279%0.794SS**  trans-144.1142.7174.7174.60000107.7
429P47.8Very low43.2Very low119 Ų119144.2 Ų144.277%0.77380%0.799SS**  trans-98.6161.4-157.738-37000116.2
430I38Very low42.5Very low164 Ų164141.6 Ų141.684%0.84179%0.793SS**  trans-146.8170.81711178000110
431P44.5Very low42.9Very low111 Ų111143.6 Ų143.672%0.72180%0.799SS**  -128.2177.1-116.242.1-25.3000116.5
432P45.9Very low42.2Very low120 Ų120141.7 Ų141.778%0.77979%0.788SS**  trans-103.9129.3178.335.9-29.8000115
433K35Very low41.5Very low212 Ų212141.9 Ų141.992%0.92279%0.788SS**  trans-148.1153.2164.6-73.1-163.7176.9-179.70114.1
434K37.6Very low40.8Very low200 Ų200141.8 Ų141.887%0.8779%0.79SS**  trans-87.1175.4174.7-87.6-177.6177.4-176.40111.4
435P48.1Very low40.1Very low129 Ų129140.9 Ų140.984%0.83878%0.782SS**  cis-143.4-130.436.241.4-16.6000118
436E36.8Very low39.8Very low143 Ų143140.2 Ų140.267%0.66878%0.779SS**  trans-116.3159.6-143.5-57.1175.862.700119.5
437K39.6Very low39.5Very low174 Ų174138.5 Ų138.576%0.75777%0.774SS**  trans69.9169.8140.2-88.2167.9-172.6152.30120.1
438P49.9Very low39.1Very low107 Ų107139 Ų13970%0.69577%0.77SS**  cis-136.5-168.5-9.227.5-2.2000116.5
439I33.6Very low38.5Very low168 Ų168136.2 Ų136.286%0.86277%0.767SS**  trans91.3139.3158.7-49.7-172.5000118.1
440G32.3Very low37.7Very low65 Ų65139.9 Ų139.967%0.6777%0.774SS**  trans-100.7-134179.700000113.3
441P50Low37.6Very low133 Ų133138.2 Ų138.286%0.86477%0.771SS**  cis-126.3-153.12241.8-22.3000111.5
442S32Very low37.9Very low87 Ų87138.2 Ų138.261%0.60877%0.771SS**  cis-161.2144.8-1.2105.90000111.4
443L32.4Very low37.2Very low161 Ų161137 Ų13784%0.84377%0.765SS**  trans59.2153.4147.9-58.9179.1000119.2
444S33.7Very low36.9Very low100 Ų100135.1 Ų135.170%0.69976%0.762SS**  cis-153126.21.945.10000110.1
445V37.9Very low36.9Very low112 Ų112136.6 Ų136.668%0.67976%0.762SS**  105.2109.694.5164.60000114.6
446K34.5Very low36.8Very low188 Ų188135.8 Ų135.882%0.81776%0.757SS**  trans55.7157.1144.3-54175.4-167.9177.40119
447H36.8Very low36.6Very low158 Ų158137.8 Ų137.873%0.73176%0.763SS**  cis-149.1-171.23.4-150.716.7000112.3
448N31.9Very low36.6Very low139 Ų139136.2 Ų136.274%0.74376%0.763SS**  trans-47.4162.8173.7-50.2-0.8000114.6
449G31.4Very low35.6Very low70 Ų70137.5 Ų137.572%0.72276%0.764SS**  cis153-176.6-2.100000112.9
450E29.5Very low35.6Very low196 Ų196137 Ų13792%0.91676%0.762SS**  trans70.7177173-141.7137.9115.100118.5
451V36.4Very low35.6Very low130 Ų130142.1 Ų142.179%0.78877%0.768SS**  trans-142.2179.1-156.6-117.90000109
452P50Low36.3Very low110 Ų110140.5 Ų140.571%0.71476%0.757SS**  cis-137-175.3-6.538.1-18.1000116.2
453S31.6Very low37.2Very low95 Ų95142.4 Ų142.466%0.66477%0.768SS**  trans52.6116.2143.7-84.10000122.6
454M28.4Very low37.1Very low173 Ų173139.7 Ų139.785%0.85276%0.763SS**  175.6161.5105.2-97.3-61.5114.200115
455R37.5Very low37Very low230 Ų230143.2 Ų143.287%0.86877%0.772SS**  trans-83.6171.8164.9-91.1179.5173.6179-1.8109.8
456P47.3Very low36.6Very low113 Ų113148 Ų14873%0.73478%0.778SS**  cis-156.4178.136.645.1-23.1000120.9
457K32.8Very low37.4Very low184 Ų184144.4 Ų144.480%0.877%0.773SS**  trans51.1130.3140.3-80.6-175.5168.5-1700125
458L38.3Very low37.3Very low142 Ų142143.6 Ų143.674%0.74377%0.768SS**  trans68.7157.8136.8-60.5172.4000117.8
459D28.8Very low37.3Very low134 Ų134141.6 Ų141.672%0.71776%0.764SS**  cis-162.6177.636.4-144.9-20.6000115.5
460L33.8Very low37.3Very low157 Ų157143.7 Ų143.782%0.82276%0.756SS**  trans77.5144.7153.7-72.1162.6000125.1
461E31.9Very low37.6Very low173 Ų173143 Ų14381%0.80875%0.75SS**  trans-124.2-169.2172.9-134.1-158.8134.300107.5
462P65.5Low37.6Very low98 Ų98144.2 Ų144.264%0.63675%0.747SS**  cis-120.6-152.2-36.238.1-18.3000110.2
463P50.4Low38.3Very low128 Ų128143.7 Ų143.783%0.83174%0.743SS**  -146.4-175.164.638.8-16.1000116.4
464S29.7Very low39.2Very low104 Ų104145.3 Ų145.373%0.72775%0.752SS**  trans-113.8170.2-172176.60000113.1
465I32.6Very low39.2Very low174 Ų174142.4 Ų142.489%0.89275%0.748SS**  trans-163.2151.1136.6-101.8152000111.9
466R29.7Very low39.2Very low212 Ų212139.3 Ų139.380%0.875%0.747SS**  trans-123.2169.7-170.3-135.2-170-161.2178.97.8110.9
467P51Low38.4Very low112 Ų112144.9 Ų144.973%0.72775%0.754SS**  -138-169.573.544.5-29.6000110.9
468K35.1Very low39Very low141 Ų141142.2 Ų142.261%0.61376%0.755SS**  cis-158.6-167-12.7-125.7177.7-165.7-60.90105.6E470K468-E470 WeakPolarHBondContact CG-OE2 3.44Å; K468-E470 IonicContact NZ-OE1 2.64Å; K468-E470 PolarHBondContact NZ-OE1 3.14Å; K468-E470 IonicContact NZ-OE2 2.82Å; K468-E470 PolarHBondContact NZ-OE2 3.14Å
469S32.4Very low38.5Very low97 Ų97144.1 Ų144.168%0.67876%0.757SS**  cis-170.7159.9-8.135.20000107.4
470E30Very low38.7Very low115 Ų115144 Ų14454%0.53776%0.756SS.*  cis175.9133.1-31.8-103.7146.68.900109K468K468-E470 WeakPolarHBondContact CG-OE2 3.44Å; K468-E470 IonicContact NZ-OE1 2.64Å; K468-E470 PolarHBondContact NZ-OE1 3.14Å; K468-E470 IonicContact NZ-OE2 2.82Å; K468-E470 PolarHBondContact NZ-OE2 3.14Å
471F35.8Very low38.3Very low181 Ų181142.7 Ų142.779%0.79475%0.75SS**  trans63.1157.3166.7-73.7-110.6000118.1
472E37.6Very low38.2Very low155 Ų155141.8 Ų141.872%0.72475%0.75SS**  cis-158.7169.4-36.5-113.7-148.1112.200110.9
473P63.8Low36.5Very low99 Ų99145 Ų14564%0.64376%0.757SS**  trans-95.6-159.7179.839.2-33.5000113.5
474P50.3Low36.3Very low129 Ų129143.9 Ų143.984%0.83875%0.749SS**  -149.8-161.8101.540.3-21.5000115.4
475S29.9Very low36.3Very low112 Ų112145.1 Ų145.178%0.78375%0.752SS**  trans-158.2-174-168.3-173.70000114.1
476I36.3Very low35.9Very low165 Ų165144.2 Ų144.285%0.84675%0.748SS**  trans103.1156.4159.6-56.6176000119.1
477R31.4Very low36.4Very low231 Ų231139.2 Ų139.287%0.87274%0.743SS**  trans-109.6173.2-162.7-48.4170.9176.1161.3-4.9116.1
478P44.5Very low35.3Very low127 Ų127140.6 Ų140.683%0.82575%0.75SS**  trans-101.5-174.9149.940.4-34000114.6
479K28.8Very low35Very low182 Ų182141.6 Ų141.679%0.79175%0.754SS**  trans-161.1176.2170.4-159.4-152.2162-163.10110.4
480L31.8Very low35.1Very low133 Ų133143.3 Ų143.370%0.69676%0.763SS**  trans82151.2161.8-62.4175.1000117.1
481D25.3Very low34.8Very low129 Ų129144.8 Ų144.869%0.6977%0.767SS**  cis-170.6167-18.2-168.923.2000112.3
482L30.5Very low35.1Very low154 Ų154141.8 Ų141.881%0.80677%0.766SS**  trans71.5148.8155.5-12469.6000125
483E29.7Very low34.5Very low166 Ų166141.4 Ų141.478%0.77677%0.765SS**  trans-79.2-172.1172.3-89.7-87.1134.700113
484P46.4Very low33.5Very low103 Ų103142.5 Ų142.567%0.66977%0.772SS**  cis-138.2-166.50.722.45.5000116.6
485V28.6Very low32.5Very low131 Ų131139.5 Ų139.579%0.79476%0.764SS**  trans123.7137.3139.6-177.90000118.7
486L25.8Very low32.5Very low155 Ų155141.6 Ų141.681%0.81276%0.761SS**  trans-80.1-173178.6-70.5169.9000112.3
487P39.7Very low32.4Very low106 Ų106143.2 Ų143.269%0.68876%0.757SS**  cis-153.1-161.419.244.5-20.4000118.8
488T28.4Very low32.3Very low141 Ų141135.3 Ų135.387%0.86575%0.747SS**  trans92143149.537.30000123.1
489K27.7Very low31.7Very low163 Ų163137 Ų13771%0.70975%0.749SS**  trans-120163.3-175.9-152.4172.7-171.41670107.8
490P34.1Very low32Very low133 Ų133137.2 Ų137.286%0.86475%0.75SS**  -151.2-174.698.135.4-14.9000116.4
491K25.4Very low32.7Very low145 Ų145136.3 Ų136.363%0.6375%0.752SS**  trans-131.5137.6-173.3154-172.5169.5-159.10112.3
492P40.3Very low33.3Very low119 Ų119133.9 Ų133.977%0.77375%0.75SS**  -134.8169.9114.515.38.1000111.6
493Q26.9Very low33.5Very low147 Ų147133.8 Ų133.869%0.68775%0.75SS**  cis78.5154.314.9-108.5-168.2-26.200117.8
494P42.4Very low33.9Very low122 Ų122129.3 Ų129.379%0.79274%0.742SS**  cis-138.6-172.6-4.943.5-25.1000116.8
495G29.1Very low33.4Very low65 Ų65132.7 Ų132.767%0.6775%0.748SS**  trans136.6107.8163.500000114
496E29.8Very low33.7Very low157 Ų157132.5 Ų132.573%0.73474%0.743SS**  85138.768-76.8-126.487.400113.7
497R33.7Very low34.5Very low199 Ų199131.5 Ų131.575%0.75174%0.738SS**  cis-163.4152.44.4-179.1-177.4-65.5-177.32.4112.2
498G29.8Very low34.3Very low64 Ų64134.3 Ų134.366%0.6674%0.744SS**  trans78157154.300000118.9
499D31.5Very low34.5Very low162 Ų162132.8 Ų132.887%0.86674%0.738SS**  cis-159.1179.6-12.3-131.7-63.2000113.4
500K34.7Very low34.6Very low188 Ų188134.6 Ų134.682%0.81775%0.747SS**  trans-110.3-172.9-173.9-104.2-173.2179-165.50111.8
501P46.2Very low34.9Very low113 Ų113135.5 Ų135.573%0.73474%0.744SS**  cis-146.9176.419.246.5-26.8000119.8
502A38.4Very low35.7Very low78 Ų78136.6 Ų136.665%0.64575%0.752SS**  trans63.5149.513500000124.7
503D35.6Very low35.6Very low153 Ų153139.5 Ų139.582%0.81876%0.76SS**  cis172.7157.3-24.4-90142.6000105.6
504A37.8Very low35.8Very low72 Ų72138 Ų13860%0.59577%0.765SS**  cis-159-136.6-12.700000108.5
505E36.2Very low35.6Very low174 Ų174137.3 Ų137.381%0.81376%0.763SS**  trans63.4141.2175.6-45.3-4493.500118.1
506D35.2Very low35.8Very low127 Ų127139.5 Ų139.568%0.67978%0.776SS**  cis-162.3179.5-14.5-178.925.7000108.6
507L41.4Very low36.1Very low134 Ų134136.7 Ų136.770%0.70277%0.773SS**  trans7883.1163.8-73.4162.2000120.2
508M36.3Very low36.3Very low165 Ų165134.9 Ų134.981%0.81377%0.773SS**  45136.2117.4-59.1-174.6-168.800122.7
509S33.1Very low37Very low108 Ų108140.4 Ų140.476%0.75578%0.779SS**  trans74.297.7142.4-169.90000119.8
510F29.5Very low37.5Very low202 Ų202135.3 Ų135.389%0.88675%0.752SS**  -153.9111.1127.2-115.8-77.5000109.8
511D40Very low38.7Very low152 Ų152128.8 Ų128.881%0.81373%0.729SS**  trans-103.8177.6152.3-167.45.8000106.8
512E42.2Very low38.4Very low168 Ų168129 Ų12979%0.78572%0.721SS**  trans68.975.7170-159.9167.1-141.800115.7
513L37.9Very low38.5Very low180 Ų180131.9 Ų131.994%0.94272%0.724SS**  trans-16096.3132.8-100.8-169.7000111.1
514S32.1Very low39.6Very low115 Ų115128.3 Ų128.380%0.80471%0.708SS**  trans-166.5128171.2-174.30000108.4
515S37.4Very low39.4Very low107 Ų107129.9 Ų129.975%0.74871%0.71SS**  cis-132.8147.1-1-79.10000110.4S517S515-S517 PolarHBondContact O-N 2.97Å
516A34Very low39.5Very low112 Ų112126.4 Ų126.493%0.92671%0.705SS**  trans-78.9107.2158.100000109
517S36Very low39.8Very low98 Ų98131 Ų13169%0.68571%0.713SS**  trans-108.2115.3157.6-1720000103.9S515S515-S517 PolarHBondContact O-N 2.97Å
518E36.8Very low39.5Very low161 Ų161130.5 Ų130.575%0.75272%0.717SS**  59.193.376.4-158.2168.392.500108.2
519K44.4Very low39.6Very low180 Ų180131.7 Ų131.778%0.78372%0.718SS**  66.8154.177.2-73.4-173.3164.7-1650112.2
520L42Very low40.4Very low55 Ų55133.5 Ų133.529%0.28873%0.725SS.*  cis-120.5169.5-5.5-7889.4000108.1E144E144-L520 HydrophobicContact CB-CD1 4.08Å; E144-L520 HydrophobicContact CG-CB 4.22Å; E144-L520 HydrophobicContact CG-CD1 3.85Å; E144-L520 HydrophobicContact CG-CD2 4.23Å; E144-L520 HydrophobicContact CG-CG 4.31Å
521S59.7Low40.9Very low50 Ų50129.4 Ų129.435%0.3572%0.716SS.*  cis115.8116.911.2103.30000115.5E147E147-S521 VanDerWaalsContact OE1-CB 3.3Å; E147-S521 WeakPolarHBondContact OE1-CB 3.23Å; E147-S521 PolarHBondContact OE1-OG 2.89Å
522H41.3Very low40.9Very low119 Ų119126.1 Ų126.155%0.55172%0.719SS**  trans22.3-165.7163-19.8-68.9000122.9E147E147-H522 WeakPolarHBondContact OE1-CB 3.47Å; E147-H522 IonicContact OE1-CD2 2.78Å; E147-H522 PolarHBondContact OE1-CD2 3.13Å; E147-H522 IonicContact OE1-CG 2.6Å; E147-H522 PolarHBondContact OE1-N 3.44Å; E147-H522 WeakPolarHBondContact OE2-CB 3.47Å; E147-H522 IonicContact OE2-CD2 3.37Å
523L39.5Very low40.8Very low138 Ų138129.7 Ų129.772%0.72373%0.725SS**  trans-144.6119.2-151179.979.3000110.9
524T58.2Low41Very low78 Ų78132.7 Ų132.748%0.47972%0.723SS.*  trans-130.1159165.178.40000111N164N164-T524 PolarHBondContact ND2-O 3.28Å
525T33.9Very low41.6Very low105 Ų105134.9 Ų134.964%0.64473%0.725SS**  trans82.3118.4-169.3-560000113.9
526S38.2Very low41.7Very low100 Ų100135.6 Ų135.670%0.69973%0.727SS**  cis-160.1132.8-1.3-121.30000115.5
527R41.3Very low41.6Very low225 Ų225134 Ų13485%0.84972%0.722SS**  51.3110.8123.7-160.6177.9-167.5-178.16.3119.6
528P34.9Very low41.5Very low122 Ų122138.7 Ų138.779%0.79273%0.733SS**  trans-61.1141.2176.8-25.335000115.8
529K39.4Very low41.1Very low190 Ų190140.6 Ų140.683%0.82674%0.739SS**  trans-105.381.9-178.8-166.7171.6-172.4169.60111.4T531K529-T531 PolarHBondContact O-N 2.88Å
530V50.4Low40.5Very low147 Ų147136.1 Ų136.189%0.89174%0.735SS**  trans-62102-179.6-91.60000112.5
531T38.6Very low39.9Very low115 Ų115137.3 Ų137.371%0.70676%0.761SS**  trans-122.598.3163.254.20000108.9K529 R533K529-T531 PolarHBondContact O-N 2.88Å; T531-R533 PolarHBondContact O-N 3.12Å
532G39.7Very low38.5Very low84 Ų84138.6 Ų138.687%0.86678%0.782SS**  trans-64.7125.7-175.700000112.5
533R41.3Very low38.1Very low243 Ų243142.2 Ų142.292%0.91780%0.799SS**  trans-120.8132.2161.9-75.6-172.2172.9-108.3-2.2109.7T531T531-R533 PolarHBondContact O-N 3.12Å
534R41.8Very low37.7Very low242 Ų242141 Ų14191%0.91380%0.803SS**PPolyproline II helixtrans-54.3149.1-176.7-85.2176.6161.5-175.3-6113.2
535L44.8Very low37.3Very low161 Ų161143 Ų14384%0.84382%0.817SS**PPolyproline II helixtrans-48.3133.9154.1-63170.6000111.9
536P39.1Very low37Very low122 Ų122143.2 Ų143.279%0.79282%0.818SS**PPolyproline II helixtrans-72.7152.2139.134.1-30.6000109
537G31.5Very low36.7Very low78 Ų78146.3 Ų146.380%0.80482%0.819SS**  cis137.650.62.300000112.5
538Q34Very low36Very low197 Ų197142 Ų14292%0.92181%0.809SS**  trans-110.2102.8-174.6-164.4155.2-8.200113.1
539F29.7Very low35.7Very low202 Ų202142.3 Ų142.389%0.88681%0.808SS**  trans-66.5161155-116.4-123.6000109.7
540A30.4Very low35.2Very low85 Ų85138.1 Ų138.170%0.70280%0.802SS**  cis-173.4164.3-26.800000108.8
541G29.7Very low34.3Very low81 Ų81135.8 Ų135.884%0.83580%0.799SS**  trans110.8127.2-17900000110.6
542G30.2Very low34.1Very low76 Ų76138.7 Ų138.778%0.78480%0.804SS**  cis107.7126.823.200000107.8
543Q32.8Very low33.8Very low196 Ų196144.2 Ų144.292%0.91680%0.804SS**  cis-141.6165.441.6-60.2165.414.600113
544S32.7Very low33.4Very low113 Ų113138.3 Ų138.379%0.7980%0.795SS**  trans-104.3179.9161.5-31.80000108.5
545P48.3Very low32.7Very low119 Ų119135.5 Ų135.577%0.77379%0.789SS**  cis-130.1-165.130.128.1-0.3000112
546T28.3Very low32Very low110 Ų110136.4 Ų136.468%0.67579%0.787SS**  cis-162.2151.534.951.60000114.9
547K31.3Very low31.5Very low165 Ų165136 Ų13672%0.71778%0.781SS**  trans64.9152.2148.8-73176.6154.2-107.40117.5
548E27.5Very low31.4Very low135 Ų135138.6 Ų138.663%0.63178%0.777SS**  cis-164.6159.4-9.6-119.3164.7165.200111.1
549V29.2Very low31.4Very low128 Ų128138.4 Ų138.478%0.77678%0.776SS**  trans61139.3144.2166.80000119.5
550S27.8Very low31.5Very low102 Ų102135.7 Ų135.771%0.71377%0.771SS**  cis-173.4171.5-14.8-93.40000111.4
551A31.4Very low31.9Very low98 Ų98138.8 Ų138.881%0.8177%0.771SS**  trans82.5125.3144.600000121.2
552E35.7Very low31.9Very low176 Ų176138.3 Ų138.382%0.82276%0.755SS**  trans-81.6159.6170.9-40.6131.399.100112.1
553K33.4Very low32Very low200 Ų200139 Ų13987%0.8775%0.754SS**  -174.9-178.2116.9-104.6171.8-177.9175.20115.3
554V31.6Very low32Very low119 Ų119137.4 Ų137.472%0.72174%0.743SS**  trans-135.7164.3-159.1-172.30000111.2
555F28.3Very low32.6Very low182 Ų182136.9 Ų136.980%0.79874%0.738SS**  trans93.5110.2171.1-68.6-91000116.2
556K30Very low31.8Very low180 Ų180140.6 Ų140.678%0.78374%0.741SS**  82.7138.567.1-167.3-166.1178.9-172.90113.3
557V27.9Very low32.7Very low113 Ų113140.9 Ų140.969%0.68575%0.745SS**  trans121.2112.3156.2178.60000116.2
558D29.9Very low32.9Very low134 Ų134139.1 Ų139.172%0.71775%0.748SS**  trans46.8132.4133.9-53.7-154.8000125.4
559E32.4Very low33.2Very low192 Ų192140.9 Ų140.990%0.89776%0.757SS**  75.8147.5124.2-153.7157101.800124.6
560D33.8Very low33.5Very low145 Ų145141.8 Ų141.878%0.77575%0.752SS**  trans-55.9154.3-174-155.1-107.6000118.4
561E37.3Very low33.7Very low150 Ų150146 Ų14670%0.70176%0.758SS**  -179.6143.4112.6-139.9-149.69000114.8K564E561-K564 IonicContact OE1-NZ 3.54Å
562S30.3Very low33.7Very low71 Ų71150.6 Ų150.650%0.49776%0.759SS.*  trans65.3152.2154.1-89.10000119.5K564S562-K564 PolarHBondContact OG-NZ 3.39Å
563A32.2Very low33.8Very low92 Ų92148.4 Ų148.476%0.7676%0.76SS**  cis-164.6164.125.400000111
564K33.6Very low33.6Very low161 Ų161143.6 Ų143.670%0.775%0.752SS**  cis-158-146.1-17.8-137.584.5177-170.10108.1E561 S562E561-K564 IonicContact OE1-NZ 3.54Å; S562-K564 PolarHBondContact OG-NZ 3.39Å
565P45.1Very low33.5Very low103 Ų103145 Ų14567%0.66976%0.755SS**  trans-138.9167-134.546.6-28.6000123.5
566K31.1Very low33.8Very low196 Ų196145.8 Ų145.885%0.85276%0.761SS**  trans68.3160.4139.3-79.8174.8179.2-173.20120.9
567P47.1Very low34Very low116 Ų116142.6 Ų142.675%0.75376%0.762SS**  cis-107.5-139.511.4204.9000114.3
568T34.5Very low34.6Very low128 Ų128143 Ų14379%0.78577%0.767SS**  cis-156.1-149.410.6-28.60000113.8
569E34.1Very low35.5Very low173 Ų173142.5 Ų142.581%0.80877%0.771SS**  trans-156.6171.4-157.8-93.5-160.476.300112.2
570H36.9Very low36.8Very low146 Ų146138.3 Ų138.368%0.67676%0.76SS**  cis-178.8175.6-13.7171.384.9000111.4
571K32Very low36.8Very low191 Ų191140.2 Ų140.283%0.8376%0.764SS**  trans94.6155161.1-111.5157.2-161.6176.10122.9
572K30.7Very low36.8Very low195 Ų195144.4 Ų144.485%0.84877%0.773SS**  trans-111.2175-170.2-120-176.9-179.4178.10110.9
573P36.9Very low37.3Very low130 Ų130147 Ų14784%0.84479%0.789SS**  cis-146.2-129.145.442.5-18.3000116.6
574S29.8Very low37.1Very low98 Ų98146.3 Ų146.369%0.68579%0.79SS**  trans-129.1160.8-149.2-170.80000116.6
575N30.7Very low37.3Very low148 Ų148149.2 Ų149.279%0.79180%0.804SS**  trans50.1122.4156.3-79.32.1000122.3
576Q34.3Very low36.8Very low199 Ų199149.1 Ų149.193%0.9381%0.811SS**  -170.5158.3121.2-106.7173.145.900112.7
577S33.8Very low37.2Very low114 Ų114146.6 Ų146.680%0.79780%0.803SS**  trans-109.8161.8177.5-47.30000111.8
578P39.7Very low36.9Very low121 Ų121147 Ų14779%0.78681%0.805SS**  -139.1167129.538.1-26.5000114.5
579P50Low37Very low124 Ų124149 Ų14981%0.80580%0.803SS**  trans-112.6-148.8-17441.2-26.1000113.4
580P59.9Low37.8Very low103 Ų103146.6 Ų146.667%0.66980%0.803SS**  -100.3-175.6-119.742.2-28000114.8
581H33.7Very low37.7Very low186 Ų186143.2 Ų143.286%0.86181%0.807SS**  trans-178.1146.1131.1-98.6-69.4000114.5
582R36.1Very low38.9Very low237 Ų237140.2 Ų140.289%0.89481%0.807SS**  trans-88.5176.4157.5-106.7-174.2178.6-168.21.4108.9
583P41.7Very low39.1Very low126 Ų126135.7 Ų135.782%0.81881%0.806SS**  cis-134.7-165.16.842.5-24.5000114.1
584G28.3Very low39Very low77 Ų77134 Ų13479%0.79480%0.803SS**  trans163.7115.3157.600000116.1
585F37Very low39.4Very low223 Ų223134.1 Ų134.198%0.97881%0.81SS**  trans-103.6136.8165.4-101.3-97.5000109.1
586A33.7Very low39.9Very low101 Ų101132.3 Ų132.384%0.83582%0.815SS**  trans-159.4136.2159.700000111.7
587E40.9Very low39.8Very low143 Ų143126.7 Ų126.767%0.66881%0.811SS**  trans-89154.6169.6-174.4-178.2122.700109.6K589E587-K589 WeakPolarHBondContact OE1-CG 3.32Å; E587-K589 IonicContact OE1-NZ 3.92Å; E587-K589 PolarHBondContact OE1-NZ 3.01Å
588P40.3Very low40.4Very low123 Ų123129.6 Ų129.680%0.79982%0.816SS**  -138.1159.1129.537-25.3000115.2
589K36Very low40.3Very low170 Ų170129.7 Ų129.774%0.73981%0.81SS**  trans-95.7172.4-179.2-94.7-179.2179.692.20112.9E587E587-K589 WeakPolarHBondContact OE1-CG 3.32Å; E587-K589 IonicContact OE1-NZ 3.92Å; E587-K589 PolarHBondContact OE1-NZ 3.01Å
590P51.3Low40.1Very low124 Ų124129.9 Ų129.981%0.80581%0.809SS**  trans-106155.4-146.438.7-37000118.4
591G34.8Very low39.6Very low74 Ų74129.2 Ų129.276%0.76381%0.807SS**  trans83.8173150.700000117.9
592P57.6Low40.4Very low129 Ų129126.8 Ų126.884%0.83880%0.799SS**  cis-134.8-179.7-1.642.4-26.3000116.3
593A35.3Very low41.1Very low99 Ų99120.1 Ų120.182%0.81879%0.788SS**  trans88.7150.914700000123.1
594A34Very low41.4Very low96 Ų96122.4 Ų122.479%0.79379%0.788SS**  trans81.181153.500000122.2
595A37.8Very low42.4Very low99 Ų99124.5 Ų124.582%0.81878%0.781SS**  70.2130.7117.200000123.8
596A41.3Very low43.2Very low110 Ų110117.2 Ų117.291%0.90976%0.758SS**  trans66.3104143.300000120.3
597G33.3Very low44.2Very low81 Ų81121.3 Ų121.384%0.83575%0.752SS**  trans-160.4127.4158.700000109.8
598L44.7Very low45Very low175 Ų175116.8 Ų116.892%0.91674%0.739SS**  trans-91.4127.8178.8-73.8160.3000110.2
599D38.5Very low45.9Very low123 Ų123116.6 Ų116.666%0.65873%0.727SS**  trans-150.2140.2138.3-172.9-117.9000110.8S601D599-S601 WeakPolarHBondContact OD1-CB 3.49Å; D599-S601 PolarHBondContact OD1-N 2.9Å; D599-S601 PolarHBondContact OD1-OG 3.47Å; D599-S601 PolarHBondContact OD2-OG 2.85Å
600V46.8Very low47.1Very low128 Ų128114.2 Ų114.278%0.77672%0.722SS**  trans-12169.8179-176.70000108.9
601S49.1Very low47.6Very low90 Ų90113.2 Ų113.263%0.62971%0.706SS**  trans-123.719.1176.4-51.60000114D599D599-S601 WeakPolarHBondContact OD1-CB 3.49Å; D599-S601 PolarHBondContact OD1-N 2.9Å; D599-S601 PolarHBondContact OD1-OG 3.47Å; D599-S601 PolarHBondContact OD2-OG 2.85Å
602I50.2Low48.9Very low134 Ų134116.3 Ų116.369%0.68770%0.702SS**  trans-119.771.3179.8-45.9-179.2000111
603S49.6Very low49.6Very low97 Ų97114.1 Ų114.168%0.67869%0.686SS**SBendtrans-139.21.1171.9-64.40000115.1
604Q48.5Very low51.5Low175 Ų175115 Ų11582%0.81867%0.674SS**SBendtrans-108.2-36.4169.6-71.9-179.2-34.200112.3S606 R607Q604-S606 VanDerWaalsContact C-N 3.34Å; Q604-S606 PolarHBondContact O-N 3.19Å; Q604-R607 PolarHBondContact O-N 2.67Å
605N50.3Low53.5Low121 Ų121116.2 Ų116.265%0.64766%0.663SS**Hα-helixtrans-68.1-29.1-176.1-158.170.5000114.1H609N605-H609 PolarHBondContact O-N 2.65Å
606S54.2Low55.6Low69 Ų69114.2 Ų114.248%0.48364%0.643SS.*Hα-helixtrans-71.2-26.717845.20000113.5Q604 L610Q604-S606 VanDerWaalsContact C-N 3.34Å; Q604-S606 PolarHBondContact O-N 3.19Å; S606-L610 PolarHBondContact O-N 2.91Å
607R54.5Low57.8Low187 Ų187111.8 Ų111.871%0.70662%0.623SS**Hα-helixtrans-76.6-48.8178.9-162.9177.3-169.3111.83.6111.4Q604 H609 L610 E611Q604-R607 PolarHBondContact O-N 2.67Å; R607-H609 VanDerWaalsContact C-N 3.29Å; R607-H609 PolarHBondContact O-N 2.65Å; R607-L610 WeakPolarHBondContact O-CB 3.47Å; R607-L610 PolarHBondContact O-N 3.06Å; R607-E611 PolarHBondContact O-N 3.48Å
608A57Low60.5Low48 Ų48113.8 Ų113.840%0.39761%0.611SS.*Hα-helixtrans-60.8-36.6176.700000112.6L610 E611 M612A608-L610 VanDerWaalsContact C-N 3.32Å; A608-L610 PolarHBondContact O-N 3.14Å; A608-E611 PolarHBondContact O-N 3.41Å; A608-M612 WeakPolarHBondContact O-CG 3.24Å; A608-M612 PolarHBondContact O-N 2.86Å
609H58.2Low62.6Low120 Ų120111.1 Ų111.156%0.55659%0.593SS**Hα-helixtrans-67-31.8174.6-167.4-51.8000112.5N605 R607 V613N605-H609 PolarHBondContact O-N 2.65Å; R607-H609 VanDerWaalsContact C-N 3.29Å; R607-H609 PolarHBondContact O-N 2.65Å; H609-V613 WeakPolarHBondContact O-CG2 3.36Å; H609-V613 PolarHBondContact O-N 3.28Å
610L62.1Low65.2Low120 Ų120109 Ų10963%0.62858%0.582SS**Hα-helixtrans-72.1-45.6175.6-136.973.2000110.9S606 R607 A608 M612 V613 E614S606-L610 PolarHBondContact O-N 2.91Å; R607-L610 WeakPolarHBondContact O-CB 3.47Å; R607-L610 PolarHBondContact O-N 3.06Å; A608-L610 VanDerWaalsContact C-N 3.32Å; A608-L610 PolarHBondContact O-N 3.14Å; L610-M612 VanDerWaalsContact C-N 3.33Å; L610-M612 PolarHBondContact O-N 3.16Å; L610-V613 PolarHBondContact O-N 2.93Å; L610-V613 VanDerWaalsContact O-N 3.1Å; L610-E614 PolarHBondContact O-N 3.45Å
611E62.4Low67.5Low102 Ų102107.9 Ų107.948%0.47757%0.568SS.*Hα-helixtrans-60-39.3176.6-70.5171.6145.100112.1R607 A608 V613 E614 Q615R607-E611 PolarHBondContact O-N 3.48Å; A608-E611 PolarHBondContact O-N 3.41Å; E611-V613 PolarHBondContact O-N 3.45Å; E611-E614 PolarHBondContact O-N 3.2Å; E611-Q615 WeakPolarHBondContact O-CB 3.33Å; E611-Q615 VanDerWaalsContact O-CG 3.26Å; E611-Q615 WeakPolarHBondContact O-CG 3.36Å; E611-Q615 PolarHBondContact O-N 3.48Å
612M61.9Low69.7Low139 Ų139108.1 Ų108.169%0.68556%0.562SS**Hα-helixtrans-64-37.1173.6-80.1-178.760.100113.5A608 L610 S616A608-M612 WeakPolarHBondContact O-CG 3.24Å; A608-M612 PolarHBondContact O-N 2.86Å; L610-M612 VanDerWaalsContact C-N 3.33Å; L610-M612 PolarHBondContact O-N 3.16Å; M612-S616 WeakPolarHBondContact O-CB 3.29Å; M612-S616 PolarHBondContact O-N 2.98Å
613V72.7Confident71.7Confident83 Ų83105.9 Ų105.950%0.50355%0.547SS..Hα-helixtrans-73.4-37.6178.2170.10000110.9H609 L610 E611 S616 A617H609-V613 WeakPolarHBondContact O-CG2 3.36Å; H609-V613 PolarHBondContact O-N 3.28Å; L610-V613 PolarHBondContact O-N 2.93Å; L610-V613 VanDerWaalsContact O-N 3.1Å; E611-V613 PolarHBondContact O-N 3.45Å; V613-S616 WeakPolarHBondContact O-CB 2.92Å; V613-S616 PolarHBondContact O-N 3.13Å; V613-A617 PolarHBondContact O-N 3.05Å
614E74Confident74Confident118 Ų118103.4 Ų103.455%0.55153%0.53SS*.Hα-helixtrans-69-39176-165.6164.1-171.200111.8L610 E611 S616 A617 Q618L610-E614 PolarHBondContact O-N 3.45Å; E611-E614 PolarHBondContact O-N 3.2Å; E614-S616 VanDerWaalsContact C-N 3.35Å; E614-A617 PolarHBondContact O-N 2.82Å; E614-Q618 WeakPolarHBondContact O-CG 3.23Å; E614-Q618 PolarHBondContact O-N 3.06Å
615Q77.5Confident76.3Confident121 Ų12199.9 Ų99.957%0.56551%0.514SS*.Hα-helixtrans-65.4-35.1170.3-72.9174.712.200112.6E611 Q619E611-Q615 WeakPolarHBondContact O-CB 3.33Å; E611-Q615 VanDerWaalsContact O-CG 3.26Å; E611-Q615 WeakPolarHBondContact O-CG 3.36Å; E611-Q615 PolarHBondContact O-N 3.48Å; Q615-Q619 WeakPolarHBondContact O-CG 3.34Å; Q615-Q619 PolarHBondContact O-N 3.07Å
616S80.1Confident78.5Confident57 Ų5798.3 Ų98.340%0.39950%0.504SS..Hα-helixtrans-61.1-49.4171.2-174.30000110.9M612 V613 E614 Q618 Q619 D620M612-S616 WeakPolarHBondContact O-CB 3.29Å; M612-S616 PolarHBondContact O-N 2.98Å; V613-S616 WeakPolarHBondContact O-CB 2.92Å; V613-S616 PolarHBondContact O-N 3.13Å; E614-S616 VanDerWaalsContact C-N 3.35Å; S616-Q618 VanDerWaalsContact C-N 3.34Å; S616-Q618 PolarHBondContact O-N 2.86Å; S616-Q619 PolarHBondContact O-N 3.19Å; S616-Q619 VanDerWaalsContact O-N 3.13Å; S616-D620 PolarHBondContact O-N 3.49Å; S616-D620 PolarHBondContact OG-OD2 2.78Å
617A87.4Confident80.5Confident59 Ų59101 Ų10149%0.48851%0.508SS..Hα-helixtrans-60-43.2178.900000111.9V613 E614 Q619 D620 E621V613-A617 PolarHBondContact O-N 3.05Å; E614-A617 PolarHBondContact O-N 2.82Å; A617-Q619 PolarHBondContact O-N 2.8Å; A617-D620 PolarHBondContact O-N 3.01Å; A617-E621 WeakPolarHBondContact O-CB 3.25Å; A617-E621 PolarHBondContact O-N 2.92Å
618Q90.4Very high82.6Confident124 Ų12496.5 Ų96.558%0.57950%0.497SS*.Hα-helixtrans-63.1-38.4174.4-70.6173.511.100112.6E614 S616 L622E614-Q618 WeakPolarHBondContact O-CG 3.23Å; E614-Q618 PolarHBondContact O-N 3.06Å; S616-Q618 VanDerWaalsContact C-N 3.34Å; S616-Q618 PolarHBondContact O-N 2.86Å; Q618-L622 WeakPolarHBondContact O-CB 3.32Å; Q618-L622 PolarHBondContact O-N 3.16Å
619Q89.8Confident84.5Confident118 Ų11899.5 Ų99.555%0.55151%0.506SS*.Hα-helixtrans-68.2-36.8173.4-80.2-161.2300113Q615 S616 A617 L622 K623Q615-Q619 WeakPolarHBondContact O-CG 3.34Å; Q615-Q619 PolarHBondContact O-N 3.07Å; S616-Q619 PolarHBondContact O-N 3.19Å; S616-Q619 VanDerWaalsContact O-N 3.13Å; A617-Q619 PolarHBondContact O-N 2.8Å; Q619-L622 PolarHBondContact O-N 2.93Å; Q619-K623 WeakPolarHBondContact O-CB 3.29Å; Q619-K623 WeakPolarHBondContact O-CD 3.24Å; Q619-K623 VanDerWaalsContact O-CE 3.26Å; Q619-K623 WeakPolarHBondContact O-CE 3.45Å; Q619-K623 WeakPolarHBondContact O-CG 3.3Å; Q619-K623 PolarHBondContact O-N 2.84Å
620D92.6Very high86.3Confident78 Ų7899.2 Ų99.242%0.41751%0.508SS..Hα-helixtrans-75.5-33.9-179.1-68-37.7000112.2S616 A617 K623 S624S616-D620 PolarHBondContact O-N 3.49Å; S616-D620 PolarHBondContact OG-OD2 2.78Å; A617-D620 PolarHBondContact O-N 3.01Å; D620-K623 PolarHBondContact O-N 3.11Å; D620-K623 WeakPolarHBondContact OD1-CD 3.41Å; D620-K623 IonicContact OD1-NZ 2.64Å; D620-K623 PolarHBondContact OD1-NZ 3.33Å; D620-S624 PolarHBondContact O-N 3.33Å
621E94.9Very high88Confident105 Ų10598.5 Ų98.549%0.49150%0.504SS..Hα-helixtrans-60.2-50165.9177.756.6-148.300111.2A617 K623 S624 Q625A617-E621 WeakPolarHBondContact O-CB 3.25Å; A617-E621 PolarHBondContact O-N 2.92Å; E621-K623 VanDerWaalsContact C-N 3.28Å; E621-K623 PolarHBondContact O-N 3.44Å; E621-S624 WeakPolarHBondContact O-CA 3.41Å; E621-S624 VanDerWaalsContact O-CB 3.29Å; E621-S624 WeakPolarHBondContact O-CB 3.42Å; E621-S624 PolarHBondContact O-N 2.92Å; E621-Q625 PolarHBondContact O-N 3.47Å; E621-Q625 PolarHBondContact OE1-NE2 2.92Å
622L95Very high89.7Confident96 Ų9696.5 Ų96.550%0.50350%0.502SS..Hα-helixtrans-60.6-37176.5-172.867000112.1Q618 Q619 S624 Q625 I626Q618-L622 WeakPolarHBondContact O-CB 3.32Å; Q618-L622 PolarHBondContact O-N 3.16Å; Q619-L622 PolarHBondContact O-N 2.93Å; L622-S624 VanDerWaalsContact C-N 3.29Å; L622-S624 PolarHBondContact O-N 2.88Å; L622-Q625 PolarHBondContact O-N 3.33Å; L622-I626 HydrophobicContact CG-CD1 4.17Å; L622-I626 WeakPolarHBondContact O-CB 3.46Å; L622-I626 WeakPolarHBondContact O-CD1 3.5Å; L622-I626 VanDerWaalsContact O-CG1 3.24Å; L622-I626 WeakPolarHBondContact O-CG1 3.37Å; L622-I626 PolarHBondContact O-N 2.93Å
623K93.3Very high91.4Very high86 Ų8692.6 Ų92.637%0.37449%0.485SS..Hα-helixtrans-67.1-26.5171.8-70.8162.1-144.11580112.7Q619 D620 E621 K627Q619-K623 WeakPolarHBondContact O-CB 3.29Å; Q619-K623 WeakPolarHBondContact O-CD 3.24Å; Q619-K623 VanDerWaalsContact O-CE 3.26Å; Q619-K623 WeakPolarHBondContact O-CE 3.45Å; Q619-K623 WeakPolarHBondContact O-CG 3.3Å; Q619-K623 PolarHBondContact O-N 2.84Å; D620-K623 PolarHBondContact O-N 3.11Å; D620-K623 WeakPolarHBondContact OD1-CD 3.41Å; D620-K623 IonicContact OD1-NZ 2.64Å; D620-K623 PolarHBondContact OD1-NZ 3.33Å; E621-K623 VanDerWaalsContact C-N 3.28Å; E621-K623 PolarHBondContact O-N 3.44Å; K623-K627 WeakPolarHBondContact O-CD 3.21Å; K623-K627 WeakPolarHBondContact O-CE 3.36Å; K623-K627 VanDerWaalsContact O-CG 3.24Å; K623-K627 WeakPolarHBondContact O-CG 3.35Å; K623-K627 PolarHBondContact O-N 2.73Å
624S96.5Very high92.6Very high46 Ų4695.1 Ų95.132%0.32249%0.492SS..Hα-helixtrans-72.5-52171.8-156.30000110.2D620 E621 L622 I626 K627 D628D620-S624 PolarHBondContact O-N 3.33Å; E621-S624 WeakPolarHBondContact O-CA 3.41Å; E621-S624 VanDerWaalsContact O-CB 3.29Å; E621-S624 WeakPolarHBondContact O-CB 3.42Å; E621-S624 PolarHBondContact O-N 2.92Å; L622-S624 VanDerWaalsContact C-N 3.29Å; L622-S624 PolarHBondContact O-N 2.88Å; S624-I626 PolarHBondContact O-N 3.16Å; S624-K627 WeakPolarHBondContact O-CA 3.29Å; S624-K627 WeakPolarHBondContact O-CB 3.06Å; S624-K627 PolarHBondContact O-N 2.86Å; S624-D628 PolarHBondContact O-N 3.12Å
625Q96.9Very high93.7Very high100 Ų10095.3 Ų95.347%0.46750%0.496SS..Hα-helixtrans-56.6-37.5178.4-64.9175.89.900112.4E621 L622 D628 L629E621-Q625 PolarHBondContact O-N 3.47Å; E621-Q625 PolarHBondContact OE1-NE2 2.92Å; L622-Q625 PolarHBondContact O-N 3.33Å; Q625-D628 PolarHBondContact O-N 3.17Å; Q625-L629 VanDerWaalsContact O-CB 3.23Å; Q625-L629 WeakPolarHBondContact O-CB 3.48Å; Q625-L629 PolarHBondContact O-N 2.86Å
626I97Very high94.7Very high88 Ų8893.9 Ų93.945%0.45149%0.492SS..Hα-helixtrans-65.2-37.6173.1-71165.4000112.2L622 S624 L630L622-I626 HydrophobicContact CG-CD1 4.17Å; L622-I626 WeakPolarHBondContact O-CB 3.46Å; L622-I626 WeakPolarHBondContact O-CD1 3.5Å; L622-I626 VanDerWaalsContact O-CG1 3.24Å; L622-I626 WeakPolarHBondContact O-CG1 3.37Å; L622-I626 PolarHBondContact O-N 2.93Å; S624-I626 PolarHBondContact O-N 3.16Å; I626-L630 HydrophobicContact CG2-CD1 4.1Å; I626-L630 WeakPolarHBondContact O-CB 3.38Å; I626-L630 VanDerWaalsContact O-CG 3.23Å; I626-L630 WeakPolarHBondContact O-CG 3.42Å; I626-L630 PolarHBondContact O-N 3.39Å
627K97.2Very high95.5Very high127 Ų12797.1 Ų97.155%0.55250%0.499SS*.Hα-helixtrans-70.1-42.4176-69.4162.4-170.9168.70111.6K623 S624 L629 L630 L631K623-K627 WeakPolarHBondContact O-CD 3.21Å; K623-K627 WeakPolarHBondContact O-CE 3.36Å; K623-K627 VanDerWaalsContact O-CG 3.24Å; K623-K627 WeakPolarHBondContact O-CG 3.35Å; K623-K627 PolarHBondContact O-N 2.73Å; S624-K627 WeakPolarHBondContact O-CA 3.29Å; S624-K627 WeakPolarHBondContact O-CB 3.06Å; S624-K627 PolarHBondContact O-N 2.86Å; K627-L629 VanDerWaalsContact C-N 3.32Å; K627-L630 PolarHBondContact O-N 2.84Å; K627-L631 WeakPolarHBondContact O-CB 3.21Å; K627-L631 PolarHBondContact O-N 2.78Å
628D96.8Very high95.9Very high91 Ų9197 Ų9749%0.48750%0.498SS..Hα-helixtrans-67.2-36.7179-60.6-32000110.9S624 Q625 L631 S632S624-D628 PolarHBondContact O-N 3.12Å; Q625-D628 PolarHBondContact O-N 3.17Å; D628-L631 PolarHBondContact O-N 3.33Å; D628-S632 PolarHBondContact O-N 2.68Å; D628-S632 PolarHBondContact O-OG 3.24Å; D628-S632 VanDerWaalsContact O-OG 3.14Å
629L97.4Very high96.3Very high111 Ų11196.9 Ų96.958%0.58150%0.497SS*.Hα-helixtrans-65.9-39.8170.4-172.363.8000112.4Q625 K627 S632 V633Q625-L629 VanDerWaalsContact O-CB 3.23Å; Q625-L629 WeakPolarHBondContact O-CB 3.48Å; Q625-L629 PolarHBondContact O-N 2.86Å; K627-L629 VanDerWaalsContact C-N 3.32Å; L629-S632 WeakPolarHBondContact CA-OG 3.48Å; L629-S632 PolarHBondContact O-OG 2.85Å; L629-V633 WeakPolarHBondContact O-CB 3.4Å; L629-V633 VanDerWaalsContact O-CG2 3.25Å; L629-V633 WeakPolarHBondContact O-CG2 3.44Å; L629-V633 PolarHBondContact O-N 3.01Å
630L96.8Very high96.7Very high114 Ų11496 Ų9660%0.59749%0.493SS*.Hα-helixtrans-64.9-42174-76.3166.6000111.9I626 K627 V633 E634I626-L630 HydrophobicContact CG2-CD1 4.1Å; I626-L630 WeakPolarHBondContact O-CB 3.38Å; I626-L630 VanDerWaalsContact O-CG 3.23Å; I626-L630 WeakPolarHBondContact O-CG 3.42Å; I626-L630 PolarHBondContact O-N 3.39Å; K627-L630 PolarHBondContact O-N 2.84Å; L630-V633 PolarHBondContact O-N 2.95Å; L630-E634 WeakPolarHBondContact O-CB 3.19Å; L630-E634 PolarHBondContact O-N 2.71Å
631L97.9Very high96.9Very high105 Ų10598.7 Ų98.755%0.5551%0.505SS..Hα-helixtrans-64.1-43.9176-82.2163000112.2K627 D628 E634 L635K627-L631 WeakPolarHBondContact O-CB 3.21Å; K627-L631 PolarHBondContact O-N 2.78Å; D628-L631 PolarHBondContact O-N 3.33Å; L631-E634 PolarHBondContact O-N 3.02Å; L631-L635 WeakPolarHBondContact O-CB 3.22Å; L631-L635 PolarHBondContact O-N 3.41Å
632S97.5Very high97.1Very high60 Ų6099.9 Ų99.942%0.4251%0.508SS..Hα-helixtrans-65.2-38.1175.658.60000112.3D628 L629 L635 L636D628-S632 PolarHBondContact O-N 2.68Å; D628-S632 PolarHBondContact O-OG 3.24Å; D628-S632 VanDerWaalsContact O-OG 3.14Å; L629-S632 WeakPolarHBondContact CA-OG 3.48Å; L629-S632 PolarHBondContact O-OG 2.85Å; S632-L635 PolarHBondContact O-N 2.9Å; S632-L636 WeakPolarHBondContact O-CB 3.43Å; S632-L636 PolarHBondContact O-N 3.12Å
633V97.8Very high97.2Very high57 Ų57100.3 Ų100.335%0.34551%0.508SS..Hα-helixtrans-67.8-34.3173.9166.70000112.2L629 L630 K637L629-V633 WeakPolarHBondContact O-CB 3.4Å; L629-V633 VanDerWaalsContact O-CG2 3.25Å; L629-V633 WeakPolarHBondContact O-CG2 3.44Å; L629-V633 PolarHBondContact O-N 3.01Å; L630-V633 PolarHBondContact O-N 2.95Å; V633-K637 HydrophobicContact CG1-CD 4.24Å; V633-K637 VanDerWaalsContact CG1-NZ 3.34Å; V633-K637 WeakPolarHBondContact O-CD 3.48Å; V633-K637 WeakPolarHBondContact O-CG 3.04Å; V633-K637 PolarHBondContact O-N 3.44Å; V633-K637 VanDerWaalsContact O-N 3.12Å
634E97.9Very high97.4Very high137 Ų137100.4 Ų100.464%0.6451%0.511SS*.Hα-helixtrans-71.8-41.6174.3-174156.9-12900112L630 L631 K637 A638L630-E634 WeakPolarHBondContact O-CB 3.19Å; L630-E634 PolarHBondContact O-N 2.71Å; L631-E634 PolarHBondContact O-N 3.02Å; E634-K637 PolarHBondContact O-N 3.43Å; E634-A638 PolarHBondContact O-N 3.12Å
635L97.9Very high97.5Very high122 Ų122102.4 Ų102.464%0.63952%0.522SS*.Hα-helixtrans-61.4-44.5173-17961.4000111.8L631 S632 K637 A638 Q639L631-L635 WeakPolarHBondContact O-CB 3.22Å; L631-L635 PolarHBondContact O-N 3.41Å; S632-L635 PolarHBondContact O-N 2.9Å; L635-K637 VanDerWaalsContact C-N 3.35Å; L635-K637 PolarHBondContact O-N 3.35Å; L635-A638 WeakPolarHBondContact O-CB 3.37Å; L635-A638 PolarHBondContact O-N 3.08Å; L635-Q639 PolarHBondContact O-N 2.69Å
636L97.7Very high97.5Very high90 Ų90101.5 Ų101.547%0.47152%0.518SS..Hα-helixtrans-63-40.3177-177.161.3000111.8S632 Q639 Q640S632-L636 WeakPolarHBondContact O-CB 3.43Å; S632-L636 PolarHBondContact O-N 3.12Å; L636-Q639 PolarHBondContact O-N 3.39Å; L636-Q640 WeakPolarHBondContact O-CG 3.37Å; L636-Q640 PolarHBondContact O-N 2.94Å
637K96.2Very high97.6Very high126 Ų126102.6 Ų102.655%0.54852%0.524SS..Hα-helixtrans-63.8-39.3172.8-74164.2-174166.50112.1V633 E634 L635 M641V633-K637 HydrophobicContact CG1-CD 4.24Å; V633-K637 VanDerWaalsContact CG1-NZ 3.34Å; V633-K637 WeakPolarHBondContact O-CD 3.48Å; V633-K637 WeakPolarHBondContact O-CG 3.04Å; V633-K637 PolarHBondContact O-N 3.44Å; V633-K637 VanDerWaalsContact O-N 3.12Å; E634-K637 PolarHBondContact O-N 3.43Å; L635-K637 VanDerWaalsContact C-N 3.35Å; L635-K637 PolarHBondContact O-N 3.35Å; K637-M641 VanDerWaalsContact O-CB 3.25Å; K637-M641 WeakPolarHBondContact O-CB 3.4Å; K637-M641 PolarHBondContact O-N 3.24Å
638A97.4Very high97.6Very high57 Ų57104.5 Ų104.547%0.47153%0.528SS..Hα-helixtrans-65.9-39.5175.700000111.7E634 L635 M641 K642E634-A638 PolarHBondContact O-N 3.12Å; L635-A638 WeakPolarHBondContact O-CB 3.37Å; L635-A638 PolarHBondContact O-N 3.08Å; A638-M641 PolarHBondContact O-N 3.14Å; A638-K642 PolarHBondContact O-N 2.72Å
639Q98.1Very high97.6Very high121 Ų121105.2 Ų105.257%0.56552%0.523SS*.Hα-helixtrans-63-52.3174.1-179.9172.9-21.400111.6L635 L636 M641 K642 E643L635-Q639 PolarHBondContact O-N 2.69Å; L636-Q639 PolarHBondContact O-N 3.39Å; Q639-M641 VanDerWaalsContact C-N 3.28Å; Q639-M641 PolarHBondContact O-N 3.38Å; Q639-K642 WeakPolarHBondContact O-CB 3.47Å; Q639-K642 PolarHBondContact O-N 2.87Å; Q639-K642 VanDerWaalsContact O-N 3.11Å; Q639-E643 WeakPolarHBondContact O-CB 3.43Å; Q639-E643 PolarHBondContact O-N 3.35Å
640Q97.5Very high97.7Very high100 Ų100103.1 Ų103.147%0.46751%0.513SS..Hα-helixtrans-59.1-38.2176.1-73-179.4-29.700112.2L636 E643 I644L636-Q640 WeakPolarHBondContact O-CG 3.37Å; L636-Q640 PolarHBondContact O-N 2.94Å; Q640-E643 PolarHBondContact O-N 3.04Å; Q640-I644 WeakPolarHBondContact O-CB 3.38Å; Q640-I644 WeakPolarHBondContact O-CD1 3.08Å; Q640-I644 WeakPolarHBondContact O-CG1 3.25Å; Q640-I644 PolarHBondContact O-N 3.42Å
641M97.8Very high97.7Very high133 Ų133101.6 Ų101.666%0.65551%0.505SS*.Hα-helixtrans-67.3-37.4176.2-171.7176.6-64.400112.4K637 A638 Q639 T645K637-M641 VanDerWaalsContact O-CB 3.25Å; K637-M641 WeakPolarHBondContact O-CB 3.4Å; K637-M641 PolarHBondContact O-N 3.24Å; A638-M641 PolarHBondContact O-N 3.14Å; Q639-M641 VanDerWaalsContact C-N 3.28Å; Q639-M641 PolarHBondContact O-N 3.38Å; M641-T645 WeakPolarHBondContact O-CB 3.31Å; M641-T645 PolarHBondContact O-N 3.48Å; M641-T645 VanDerWaalsContact O-N 3.14Å; M641-T645 PolarHBondContact O-OG1 3.43Å
642K97.9Very high97.7Very high130 Ų130100.7 Ų100.757%0.56550%0.5SS*.Hα-helixtrans-63.1-50.3172.2-179.9-174.5176.7-77.40110.7A638 Q639 I644 T645 E646A638-K642 PolarHBondContact O-N 2.72Å; Q639-K642 WeakPolarHBondContact O-CB 3.47Å; Q639-K642 PolarHBondContact O-N 2.87Å; Q639-K642 VanDerWaalsContact O-N 3.11Å; K642-I644 PolarHBondContact O-N 2.78Å; K642-T645 CarbonylContact O-C 3.59Å; K642-T645 WeakPolarHBondContact O-CA 3.46Å; K642-T645 WeakPolarHBondContact O-CB 3.34Å; K642-T645 PolarHBondContact O-N 2.67Å; K642-E646 IonicContact NZ-OE1 3.41Å; K642-E646 IonicContact NZ-OE2 3.63Å; K642-E646 PolarHBondContact NZ-OE2 3.03Å; K642-E646 WeakPolarHBondContact O-CB 3.14Å; K642-E646 PolarHBondContact O-N 3.3Å
643E97.5Very high97.7Very high106 Ų106101.3 Ų101.350%0.49550%0.497SS..Hα-helixtrans-58.3-47.4179.7-177.9174.5-158.600112.2Q639 Q640 T645 E646 L647Q639-E643 WeakPolarHBondContact O-CB 3.43Å; Q639-E643 PolarHBondContact O-N 3.35Å; Q640-E643 PolarHBondContact O-N 3.04Å; E643-T645 PolarHBondContact O-N 3.29Å; E643-E646 PolarHBondContact O-N 2.93Å; E643-E646 VanDerWaalsContact O-N 3.12Å; E643-L647 HydrophobicContact CG-CD1 4.26Å; E643-L647 WeakPolarHBondContact O-CG 3.44Å; E643-L647 PolarHBondContact O-N 3.41Å
644I98.1Very high97.8Very high88 Ų88102.1 Ų102.145%0.45150%0.497SS..Hα-helixtrans-60.5-31.2173.6-70.4165.4000112Q640 K642 R648Q640-I644 WeakPolarHBondContact O-CB 3.38Å; Q640-I644 WeakPolarHBondContact O-CD1 3.08Å; Q640-I644 WeakPolarHBondContact O-CG1 3.25Å; Q640-I644 PolarHBondContact O-N 3.42Å; K642-I644 PolarHBondContact O-N 2.78Å; I644-R648 WeakPolarHBondContact O-CD 3.44Å; I644-R648 WeakPolarHBondContact O-CG 3.36Å; I644-R648 PolarHBondContact O-N 2.89Å
645T97.5Very high97.8Very high88 Ų88101.6 Ų101.654%0.5449%0.489SS..Hα-helixtrans-76.6-36176.5-55.90000111.6M641 K642 E643 R648 R649M641-T645 WeakPolarHBondContact O-CB 3.31Å; M641-T645 PolarHBondContact O-N 3.48Å; M641-T645 VanDerWaalsContact O-N 3.14Å; M641-T645 PolarHBondContact O-OG1 3.43Å; K642-T645 CarbonylContact O-C 3.59Å; K642-T645 WeakPolarHBondContact O-CA 3.46Å; K642-T645 WeakPolarHBondContact O-CB 3.34Å; K642-T645 PolarHBondContact O-N 2.67Å; E643-T645 PolarHBondContact O-N 3.29Å; T645-R648 PolarHBondContact O-N 3.2Å; T645-R649 PolarHBondContact O-N 3.34Å; T645-R649 VanDerWaalsContact O-N 3.12Å
646E98.2Very high97.8Very high81 Ų81100.8 Ų100.838%0.37949%0.489SS..Hα-helixtrans-69-48.4178.2-166.6145.7-148.200111.3K642 E643 R648 R649 D650K642-E646 IonicContact NZ-OE1 3.41Å; K642-E646 IonicContact NZ-OE2 3.63Å; K642-E646 PolarHBondContact NZ-OE2 3.03Å; K642-E646 WeakPolarHBondContact O-CB 3.14Å; K642-E646 PolarHBondContact O-N 3.3Å; E643-E646 PolarHBondContact O-N 2.93Å; E643-E646 VanDerWaalsContact O-N 3.12Å; E646-R648 PolarHBondContact O-N 3.03Å; E646-R649 WeakPolarHBondContact O-CB 3.2Å; E646-R649 PolarHBondContact O-N 2.95Å; E646-D650 PolarHBondContact O-N 3.12Å
647L98.1Very high97.8Very high111 Ų111102 Ų10258%0.58149%0.49SS*.Hα-helixtrans-59.2-32.1173-68.1171.2000113E643 L651E643-L647 HydrophobicContact CG-CD1 4.26Å; E643-L647 WeakPolarHBondContact O-CG 3.44Å; E643-L647 PolarHBondContact O-N 3.41Å; L647-L651 VanDerWaalsContact O-CB 3.31Å; L647-L651 WeakPolarHBondContact O-CB 3.35Å; L647-L651 PolarHBondContact O-N 3.27Å
648R97.1Very high97.9Very high167 Ų167103.7 Ų103.763%0.6349%0.493SS*.Hα-helixtrans-69.4-41.3173.6-76166.7-172.1-85-4.4112.2I644 T645 E646 D652I644-R648 WeakPolarHBondContact O-CD 3.44Å; I644-R648 WeakPolarHBondContact O-CG 3.36Å; I644-R648 PolarHBondContact O-N 2.89Å; T645-R648 PolarHBondContact O-N 3.2Å; E646-R648 PolarHBondContact O-N 3.03Å; R648-D652 PolarHBondContact O-N 3.11Å; R648-D652 VanDerWaalsContact O-N 3.08Å
649R98.2Very high97.9Very high105 Ų105104.8 Ų104.840%0.39649%0.494SS..Hα-helixtrans-60.1-49.5172.7179.3-169.958.162.412.8110.4T645 E646 L651 D652 E653T645-R649 PolarHBondContact O-N 3.34Å; T645-R649 VanDerWaalsContact O-N 3.12Å; E646-R649 WeakPolarHBondContact O-CB 3.2Å; E646-R649 PolarHBondContact O-N 2.95Å; R649-L651 VanDerWaalsContact C-N 3.33Å; R649-L651 PolarHBondContact O-N 3.41Å; R649-D652 PolarHBondContact O-N 2.74Å; R649-E653 WeakPolarHBondContact CG-OE1 3.37Å; R649-E653 IonicContact CZ-OE1 3.08Å; R649-E653 VanDerWaalsContact NH1-CD 3.35Å; R649-E653 IonicContact NH1-OE1 2.74Å; R649-E653 PolarHBondContact NH1-OE1 3.03Å; R649-E653 IonicContact NH1-OE2 2.74Å; R649-E653 WeakPolarHBondContact O-CG 3.46Å; R649-E653 PolarHBondContact O-N 2.94Å
650D97.9Very high97.9Very high67 Ų67101.8 Ų101.836%0.35849%0.489SS..Hα-helixtrans-63.6-37.6-178.1-71.1-41.1000112.5E646 E653 E654E646-D650 PolarHBondContact O-N 3.12Å; D650-E653 PolarHBondContact O-N 2.88Å; D650-E654 PolarHBondContact O-N 3.06Å
651L97.9Very high97.9Very high82 Ų82102 Ų10243%0.42949%0.493SS..Hα-helixtrans-64.7-41.5173.5-179.662.4000112.6L647 R649 E653 E654 R655L647-L651 VanDerWaalsContact O-CB 3.31Å; L647-L651 WeakPolarHBondContact O-CB 3.35Å; L647-L651 PolarHBondContact O-N 3.27Å; R649-L651 VanDerWaalsContact C-N 3.33Å; R649-L651 PolarHBondContact O-N 3.41Å; L651-E653 VanDerWaalsContact C-N 3.34Å; L651-E654 PolarHBondContact O-N 3.01Å; L651-R655 WeakPolarHBondContact O-CD 3.29Å; L651-R655 VanDerWaalsContact O-CG 3.24Å; L651-R655 WeakPolarHBondContact O-CG 3.38Å; L651-R655 PolarHBondContact O-N 3.29Å
652D97.8Very high97.9Very high86 Ų86102.1 Ų102.146%0.4649%0.492SS..Hα-helixtrans-71.4-29.3175.9-75.1-26.6000112.3R648 R649 R655 V656R648-D652 PolarHBondContact O-N 3.11Å; R648-D652 VanDerWaalsContact O-N 3.08Å; R649-D652 PolarHBondContact O-N 2.74Å; D652-R655 WeakPolarHBondContact OD1-CD 3.49Å; D652-R655 IonicContact OD1-CZ 2.76Å; D652-R655 IonicContact OD1-NE 2.61Å; D652-R655 IonicContact OD1-NH1 3.93Å; D652-R655 PolarHBondContact OD1-NH1 3.25Å; D652-V656 WeakPolarHBondContact O-CG2 3.33Å; D652-V656 PolarHBondContact O-N 3.47Å
653E98.1Very high97.9Very high74 Ų74100 Ų10035%0.34649%0.487SS..Hα-helixtrans-70.9-37.7169.6-74.6-176.2-148.600113.4R649 D650 L651 V656 K657R649-E653 WeakPolarHBondContact CG-OE1 3.37Å; R649-E653 IonicContact CZ-OE1 3.08Å; R649-E653 VanDerWaalsContact NH1-CD 3.35Å; R649-E653 IonicContact NH1-OE1 2.74Å; R649-E653 PolarHBondContact NH1-OE1 3.03Å; R649-E653 IonicContact NH1-OE2 2.74Å; R649-E653 WeakPolarHBondContact O-CG 3.46Å; R649-E653 PolarHBondContact O-N 2.94Å; D650-E653 PolarHBondContact O-N 2.88Å; L651-E653 VanDerWaalsContact C-N 3.34Å; E653-V656 PolarHBondContact O-N 3.24Å; E653-K657 WeakPolarHBondContact O-CB 3.45Å; E653-K657 VanDerWaalsContact O-CD 3.28Å; E653-K657 WeakPolarHBondContact O-CD 3.35Å; E653-K657 WeakPolarHBondContact O-CG 3.34Å; E653-K657 PolarHBondContact O-N 3.44Å; E653-K657 IonicContact OE2-NZ 2.81Å; E653-K657 PolarHBondContact OE2-NZ 3.29Å
654E98Very high97.8Very high73 Ų73100.3 Ų100.334%0.34149%0.488SS..Hα-helixtrans-59.1-48.1169.6-174.3-80.6159.500110.2D650 L651 V656 K657 R658D650-E654 PolarHBondContact O-N 3.06Å; L651-E654 PolarHBondContact O-N 3.01Å; E654-V656 VanDerWaalsContact C-N 3.32Å; E654-V656 PolarHBondContact O-N 3.02Å; E654-K657 PolarHBondContact O-N 3.42Å; E654-K657 VanDerWaalsContact O-N 3.12Å; E654-R658 VanDerWaalsContact O-CB 3.29Å; E654-R658 WeakPolarHBondContact O-CB 3.19Å; E654-R658 PolarHBondContact O-N 2.93Å; E654-R658 WeakPolarHBondContact OE1-CD 3.24Å; E654-R658 IonicContact OE1-CZ 2.67Å; E654-R658 IonicContact OE1-NH1 3.98Å; E654-R658 PolarHBondContact OE1-NH1 3.43Å
655R98Very high97.8Very high127 Ų127100.7 Ų100.748%0.47949%0.494SS..Hα-helixtrans-57.5-43.7178.2-72.2161.5172.3173.5-1.5112L651 D652 R658 V659L651-R655 WeakPolarHBondContact O-CD 3.29Å; L651-R655 VanDerWaalsContact O-CG 3.24Å; L651-R655 WeakPolarHBondContact O-CG 3.38Å; L651-R655 PolarHBondContact O-N 3.29Å; D652-R655 WeakPolarHBondContact OD1-CD 3.49Å; D652-R655 IonicContact OD1-CZ 2.76Å; D652-R655 IonicContact OD1-NE 2.61Å; D652-R655 IonicContact OD1-NH1 3.93Å; D652-R655 PolarHBondContact OD1-NH1 3.25Å; R655-R658 PolarHBondContact O-N 2.97Å; R655-V659 WeakPolarHBondContact O-CG2 3.35Å; R655-V659 PolarHBondContact O-N 2.87Å
656V98.3Very high97.7Very high104 Ų104101.2 Ų101.263%0.6349%0.49SS*.Hα-helixtrans-64.1-45176168.30000111.4D652 E653 E654 R658 V659 A660D652-V656 WeakPolarHBondContact O-CG2 3.33Å; D652-V656 PolarHBondContact O-N 3.47Å; E653-V656 PolarHBondContact O-N 3.24Å; E654-V656 VanDerWaalsContact C-N 3.32Å; E654-V656 PolarHBondContact O-N 3.02Å; V656-R658 PolarHBondContact O-N 3.31Å; V656-V659 PolarHBondContact O-N 2.98Å; V656-A660 WeakPolarHBondContact O-CB 3.25Å; V656-A660 PolarHBondContact O-N 2.65Å
657K98Very high97.7Very high117 Ų117101.4 Ų101.451%0.50949%0.494SS..Hα-helixtrans-60.7-43.8175.9-68.7157.9-1671600111E653 E654 A660 L661E653-K657 WeakPolarHBondContact O-CB 3.45Å; E653-K657 VanDerWaalsContact O-CD 3.28Å; E653-K657 WeakPolarHBondContact O-CD 3.35Å; E653-K657 WeakPolarHBondContact O-CG 3.34Å; E653-K657 PolarHBondContact O-N 3.44Å; E653-K657 IonicContact OE2-NZ 2.81Å; E653-K657 PolarHBondContact OE2-NZ 3.29Å; E654-K657 PolarHBondContact O-N 3.42Å; E654-K657 VanDerWaalsContact O-N 3.12Å; K657-A660 PolarHBondContact O-N 3.31Å; K657-L661 WeakPolarHBondContact O-CG 3.49Å; K657-L661 PolarHBondContact O-N 3.44Å
658R97.8Very high97.6Very high160 Ų160101 Ų10160%0.60449%0.491SS*.Hα-helixtrans-62.6-44.5178.5-165-174.9-163.9103.30.7112.4E654 R655 V656 Q662E654-R658 VanDerWaalsContact O-CB 3.29Å; E654-R658 WeakPolarHBondContact O-CB 3.19Å; E654-R658 PolarHBondContact O-N 2.93Å; E654-R658 WeakPolarHBondContact OE1-CD 3.24Å; E654-R658 IonicContact OE1-CZ 2.67Å; E654-R658 IonicContact OE1-NH1 3.98Å; E654-R658 PolarHBondContact OE1-NH1 3.43Å; R655-R658 PolarHBondContact O-N 2.97Å; V656-R658 PolarHBondContact O-N 3.31Å; R658-Q662 WeakPolarHBondContact O-CB 3.48Å; R658-Q662 PolarHBondContact O-N 2.97Å
659V98.2Very high97.5Very high81 Ų8199 Ų9949%0.49149%0.488SS..Hα-helixtrans-65.9-40.9175.3169.90000111.3R655 V656 Q662 I663R655-V659 WeakPolarHBondContact O-CG2 3.35Å; R655-V659 PolarHBondContact O-N 2.87Å; V656-V659 PolarHBondContact O-N 2.98Å; V659-Q662 PolarHBondContact O-N 3.15Å; V659-I663 HydrophobicContact CG1-CD1 4Å; V659-I663 WeakPolarHBondContact O-CG1 3.28Å; V659-I663 PolarHBondContact O-N 2.97Å
660A97.8Very high97.4Very high57 Ų5798.7 Ų98.747%0.47149%0.489SS..Hα-helixtrans-61.8-47.2175.900000112.1V656 K657 Q662 I663 E664V656-A660 WeakPolarHBondContact O-CB 3.25Å; V656-A660 PolarHBondContact O-N 2.65Å; K657-A660 PolarHBondContact O-N 3.31Å; A660-Q662 VanDerWaalsContact C-N 3.32Å; A660-Q662 PolarHBondContact O-N 3.03Å; A660-I663 PolarHBondContact O-N 2.96Å; A660-E664 PolarHBondContact O-N 3.16Å
661L97.8Very high97.3Very high104 Ų10498.3 Ų98.355%0.54550%0.495SS..Hα-helixtrans-61.5-38.6174.5-71.8169.6000112.1K657 I663 E664 V665K657-L661 WeakPolarHBondContact O-CG 3.49Å; K657-L661 PolarHBondContact O-N 3.44Å; L661-I663 VanDerWaalsContact C-N 3.34Å; L661-I663 PolarHBondContact O-N 3.25Å; L661-E664 PolarHBondContact O-N 3.03Å; L661-V665 WeakPolarHBondContact O-CB 3.34Å; L661-V665 WeakPolarHBondContact O-CG2 3.43Å; L661-V665 PolarHBondContact O-N 3.04Å
662Q97.1Very high97.1Very high136 Ų136100.4 Ų100.464%0.63651%0.506SS*.Hα-helixtrans-64.9-37.5177.2-170170.1900112.2R658 V659 A660 E666R658-Q662 WeakPolarHBondContact O-CB 3.48Å; R658-Q662 PolarHBondContact O-N 2.97Å; V659-Q662 PolarHBondContact O-N 3.15Å; A660-Q662 VanDerWaalsContact C-N 3.32Å; A660-Q662 PolarHBondContact O-N 3.03Å; Q662-E666 PolarHBondContact O-N 3.28Å
663I97.8Very high96.6Very high87 Ų87103.3 Ų103.345%0.44652%0.516SS..Hα-helixtrans-67.2-41.4172.8-68163.4000111V659 A660 L661 E666 N667V659-I663 HydrophobicContact CG1-CD1 4Å; V659-I663 WeakPolarHBondContact O-CG1 3.28Å; V659-I663 PolarHBondContact O-N 2.97Å; A660-I663 PolarHBondContact O-N 2.96Å; L661-I663 VanDerWaalsContact C-N 3.34Å; L661-I663 PolarHBondContact O-N 3.25Å; I663-E666 PolarHBondContact O-N 2.98Å; I663-N667 WeakPolarHBondContact O-CB 3.33Å; I663-N667 VanDerWaalsContact O-CG 3.22Å; I663-N667 PolarHBondContact O-N 3.45Å; I663-N667 PolarHBondContact O-ND2 3.38Å
664E96.9Very high96Very high112 Ų112104.9 Ų104.952%0.52354%0.535SS..Hα-helixtrans-63.4-45.1176.5-174.8166.4-154.200111.9A660 L661 E666 N667 L668A660-E664 PolarHBondContact O-N 3.16Å; L661-E664 PolarHBondContact O-N 3.03Å; E664-E666 VanDerWaalsContact C-N 3.32Å; E664-E666 PolarHBondContact O-N 3.23Å; E664-N667 PolarHBondContact O-N 3.28Å; E664-N667 VanDerWaalsContact O-N 3.16Å; E664-L668 HydrophobicContact CG-CD1 4.21Å; E664-L668 WeakPolarHBondContact O-CG 3.35Å; E664-L668 PolarHBondContact O-N 2.93Å
665V96.9Very high94.5Very high95 Ų95110 Ų11058%0.57657%0.572SS**Hα-helixtrans-60.5-39.7173.3169.60000111.6L661 K669L661-V665 WeakPolarHBondContact O-CB 3.34Å; L661-V665 WeakPolarHBondContact O-CG2 3.43Å; L661-V665 PolarHBondContact O-N 3.04Å; V665-K669 VanDerWaalsContact O-CB 3.25Å; V665-K669 WeakPolarHBondContact O-CB 3.36Å; V665-K669 PolarHBondContact O-N 3.47Å
666E96.8Very high94.4Very high100 Ų100109.2 Ų109.247%0.46758%0.577SS.*Hα-helixtrans-65.9-38.9175-156.3-161.2152.600112Q662 I663 E664 K669 K670Q662-E666 PolarHBondContact O-N 3.28Å; I663-E666 PolarHBondContact O-N 2.98Å; E664-E666 VanDerWaalsContact C-N 3.32Å; E664-E666 PolarHBondContact O-N 3.23Å; E666-K669 PolarHBondContact O-N 3.43Å; E666-K670 VanDerWaalsContact O-CG 3.29Å; E666-K670 WeakPolarHBondContact O-CG 3.47Å; E666-K670 PolarHBondContact O-N 2.85Å; E666-K670 WeakPolarHBondContact OE1-CE 2.97Å; E666-K670 IonicContact OE1-NZ 2.65Å; E666-K670 PolarHBondContact OE1-NZ 2.91Å; E666-K670 IonicContact OE2-NZ 3.65Å
667N96.6Very high94.2Very high85 Ų85109.5 Ų109.546%0.45557%0.574SS.*Hα-helixtrans-68.4-42.3177.1-71-27.1000112.3I663 E664 K669 K670 A671I663-N667 WeakPolarHBondContact O-CB 3.33Å; I663-N667 VanDerWaalsContact O-CG 3.22Å; I663-N667 PolarHBondContact O-N 3.45Å; I663-N667 PolarHBondContact O-ND2 3.38Å; E664-N667 PolarHBondContact O-N 3.28Å; E664-N667 VanDerWaalsContact O-N 3.16Å; N667-K669 VanDerWaalsContact C-N 3.35Å; N667-K670 PolarHBondContact O-N 3.16Å; N667-A671 PolarHBondContact O-N 3.23Å
668L96.1Very high94Very high101 Ų101109.1 Ų109.153%0.52958%0.578SS.*Hα-helixtrans-61.4-43.3172.5-70.9169.5000111.1E664 K670 A671 I672E664-L668 HydrophobicContact CG-CD1 4.21Å; E664-L668 WeakPolarHBondContact O-CG 3.35Å; E664-L668 PolarHBondContact O-N 2.93Å; L668-K670 VanDerWaalsContact C-N 3.35Å; L668-K670 PolarHBondContact O-N 2.92Å; L668-A671 PolarHBondContact O-N 3.25Å; L668-I672 WeakPolarHBondContact O-CG1 3.34Å; L668-I672 PolarHBondContact O-N 3.46Å
669K96.1Very high93.7Very high126 Ų126106.1 Ų106.155%0.54858%0.576SS.*Hα-helixtrans-61.3-40.4175.1-174.6174.8-178.4176.10112.3V665 E666 N667 Q673V665-K669 VanDerWaalsContact O-CB 3.25Å; V665-K669 WeakPolarHBondContact O-CB 3.36Å; V665-K669 PolarHBondContact O-N 3.47Å; E666-K669 PolarHBondContact O-N 3.43Å; N667-K669 VanDerWaalsContact C-N 3.35Å; K669-Q673 WeakPolarHBondContact O-CB 3.28Å; K669-Q673 VanDerWaalsContact O-CG 3.28Å; K669-Q673 WeakPolarHBondContact O-CG 3.29Å; K669-Q673 PolarHBondContact O-N 3.4Å
670K95.8Very high93.5Very high99 Ų99107.6 Ų107.643%0.4358%0.581SS.*Hα-helixtrans-65.3-41.4173.2-73.7164.2-174.5160.80112.4E666 N667 L668 Q673 S674E666-K670 VanDerWaalsContact O-CG 3.29Å; E666-K670 WeakPolarHBondContact O-CG 3.47Å; E666-K670 PolarHBondContact O-N 2.85Å; E666-K670 WeakPolarHBondContact OE1-CE 2.97Å; E666-K670 IonicContact OE1-NZ 2.65Å; E666-K670 PolarHBondContact OE1-NZ 2.91Å; E666-K670 IonicContact OE2-NZ 3.65Å; N667-K670 PolarHBondContact O-N 3.16Å; L668-K670 VanDerWaalsContact C-N 3.35Å; L668-K670 PolarHBondContact O-N 2.92Å; K670-Q673 CarbonylContact O-C 3.6Å; K670-Q673 PolarHBondContact O-N 3.41Å; K670-S674 WeakPolarHBondContact O-CB 3.44Å; K670-S674 PolarHBondContact O-N 2.95Å
671A94.6Very high93.2Very high58 Ų58111 Ų11148%0.47959%0.589SS.*Hα-helixtrans-62.5-44.9177.600000111.7N667 L668 Q673 S674 T675N667-A671 PolarHBondContact O-N 3.23Å; L668-A671 PolarHBondContact O-N 3.25Å; A671-Q673 VanDerWaalsContact C-N 3.34Å; A671-Q673 PolarHBondContact O-N 3.5Å; A671-S674 PolarHBondContact O-N 3.13Å; A671-S674 VanDerWaalsContact O-N 3.13Å; A671-T675 PolarHBondContact O-N 3.03Å; A671-T675 PolarHBondContact O-OG1 3.43Å
672I94.1Very high92.8Very high127 Ų127111.5 Ų111.565%0.65159%0.592SS**Hα-helixtrans-63.1-38.9175.1-66.1165.4000111.4L668 S674L668-I672 WeakPolarHBondContact O-CG1 3.34Å; L668-I672 PolarHBondContact O-N 3.46Å; I672-S674 PolarHBondContact O-N 2.94Å
673Q88.1Confident92.5Very high146 Ų146109.6 Ų109.668%0.68259%0.589SS**Hα-helixtrans-74.7-8.6175.8-72.4179.1100114.5K669 K670 A671K669-Q673 WeakPolarHBondContact O-CB 3.28Å; K669-Q673 VanDerWaalsContact O-CG 3.28Å; K669-Q673 WeakPolarHBondContact O-CG 3.29Å; K669-Q673 PolarHBondContact O-N 3.4Å; K670-Q673 CarbonylContact O-C 3.6Å; K670-Q673 PolarHBondContact O-N 3.41Å; A671-Q673 VanDerWaalsContact C-N 3.34Å; A671-Q673 PolarHBondContact O-N 3.5Å
674S84.6Confident92.1Very high107 Ų107111.5 Ų111.575%0.74860%0.6SS**THydrogen-bonded Turntrans-104.910.5178.6-172.30000113K670 A671 I672K670-S674 WeakPolarHBondContact O-CB 3.44Å; K670-S674 PolarHBondContact O-N 2.95Å; A671-S674 PolarHBondContact O-N 3.13Å; A671-S674 VanDerWaalsContact O-N 3.13Å; I672-S674 PolarHBondContact O-N 2.94Å
675T68.2Low91.6Very high182 Ų182111.5 Ų111.5100%1.11761%0.607SS**  trans-117.20-178.7-51.90000110.7A671A671-T675 PolarHBondContact O-N 3.03Å; A671-T675 PolarHBondContact O-OG1 3.43Å

Retrieved 675 of 675 residues in 118.7 ms (Link to these results)

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