A0A077YVD3_TRITR Loading...

DCP1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YVD3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 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
1M53.6Low82Confident193 Ų19367.7 Ų67.795%0.95135%0.346SS*.  0120.90-166.9167.6-161.200106.4D5M1-D5 HydrophobicContact CE-CB 4.02Å; M1-D5 HydrophobicContact CG-CB 3.7Å
2S77.5Confident83Confident29 Ų2972.3 Ų72.320%0.20336%0.356CS..  trans-70.3156.8-176.968.60000110.3M4 D5 M6 K305S2-M4 PolarHBondContact O-N 3.29Å; S2-D5 WeakPolarHBondContact CB-OD2 3.24Å; S2-D5 PolarHBondContact N-OD2 2.98Å; S2-D5 PolarHBondContact O-N 2.91Å; S2-D5 PolarHBondContact OG-N 2.93Å; S2-D5 PolarHBondContact OG-OD1 3.38Å; S2-D5 PolarHBondContact OG-OD2 2.82Å; S2-M6 PolarHBondContact O-N 3.18Å; S2-K305 PolarHBondContact OG-NZ 3.04Å
3R76.9Confident83.8Confident161 Ų16180 Ų8061%0.60839%0.386SS*.Hα-helixtrans-54.3-37.2176.1-178.1177.4175-178.5-5.7111M6 N7R3-M6 PolarHBondContact O-N 3.12Å; R3-N7 PolarHBondContact O-N 3.11Å; R3-N7 VanDerWaalsContact O-N 3.09Å; R3-N7 PolarHBondContact O-ND2 2.78Å; R3-N7 PolarHBondContact O-OD1 3.45Å
4M76.2Confident84.3Confident34 Ų3483.2 Ų83.217%0.16740%0.398CS..Hα-helixtrans-65.8-36.9176.9-65.1-167.4177.200113.3S2 M6 N7 L8 D301S2-M4 PolarHBondContact O-N 3.29Å; M4-M6 PolarHBondContact O-N 3.08Å; M4-N7 PolarHBondContact O-N 3.24Å; M4-L8 VanDerWaalsContact O-CB 3.29Å; M4-L8 WeakPolarHBondContact O-CB 3.5Å; M4-L8 PolarHBondContact O-N 3.42Å; M4-D301 HydrophobicContact CE-CB 3.31Å; M4-D301 HydrophobicContact SD-CB 3.96Å
5D77.9Confident84.8Confident67 Ų6779.7 Ų79.736%0.35838%0.382SS..Hα-helixtrans-66.5-39.2178.7-56.9-38.6000111.6M1 S2 L8 A9M1-D5 HydrophobicContact CE-CB 4.02Å; M1-D5 HydrophobicContact CG-CB 3.7Å; S2-D5 WeakPolarHBondContact CB-OD2 3.24Å; S2-D5 PolarHBondContact N-OD2 2.98Å; S2-D5 PolarHBondContact O-N 2.91Å; S2-D5 PolarHBondContact OG-N 2.93Å; S2-D5 PolarHBondContact OG-OD1 3.38Å; S2-D5 PolarHBondContact OG-OD2 2.82Å; D5-L8 PolarHBondContact O-N 3.41Å; D5-A9 PolarHBondContact O-N 3.4Å
6M82.6Confident85.4Confident111 Ų11181.4 Ų81.455%0.54741%0.405SS..Hα-helixtrans-67.5-42.2176.3-175.2178.268.500111.4S2 R3 M4 A9 T10S2-M6 PolarHBondContact O-N 3.18Å; R3-M6 PolarHBondContact O-N 3.12Å; M4-M6 PolarHBondContact O-N 3.08Å; M6-A9 PolarHBondContact O-N 2.89Å; M6-T10 PolarHBondContact O-N 3.11Å; M6-T10 VanDerWaalsContact O-N 3.12Å; M6-T10 PolarHBondContact O-OG1 2.84Å
7N88.5Confident85.9Confident22 Ų2277.8 Ų77.812%0.11839%0.389CS..Hα-helixtrans-62.6-43.9175.3-66.1-18.6000111R3 M4 A9 T10 L11 V21 F50R3-N7 PolarHBondContact O-N 3.11Å; R3-N7 VanDerWaalsContact O-N 3.09Å; R3-N7 PolarHBondContact O-ND2 2.78Å; R3-N7 PolarHBondContact O-OD1 3.45Å; M4-N7 PolarHBondContact O-N 3.24Å; N7-A9 PolarHBondContact O-N 3.41Å; N7-T10 WeakPolarHBondContact O-CB 3.48Å; N7-T10 PolarHBondContact O-N 3.47Å; N7-T10 VanDerWaalsContact O-N 3.16Å; N7-L11 WeakPolarHBondContact O-CG 3.47Å; N7-L11 PolarHBondContact O-N 3.07Å; N7-V21 HydrophobicContact CB-CG2 4.42Å; N7-F50 HydrophobicContact CB-CD1 4.41Å; N7-F50 HydrophobicContact CB-CE1 3.81Å; N7-F50 HydrophobicContact CB-CZ 4.45Å
8L90.7Very high86.4Confident28 Ų2873.5 Ų73.515%0.14737%0.368CS..Hα-helixtrans-60-46.2177.2179.661.4000111.7M4 D5 T10 L11 R12 V18 V21M4-L8 VanDerWaalsContact O-CB 3.29Å; M4-L8 WeakPolarHBondContact O-CB 3.5Å; M4-L8 PolarHBondContact O-N 3.42Å; D5-L8 PolarHBondContact O-N 3.41Å; L8-T10 PolarHBondContact O-N 2.89Å; L8-L11 PolarHBondContact O-N 3.13Å; L8-R12 HydrophobicContact CD1-CG 4.27Å; L8-R12 WeakPolarHBondContact O-CB 3.39Å; L8-R12 WeakPolarHBondContact O-CG 3.4Å; L8-R12 PolarHBondContact O-N 2.86Å; L8-V18 HydrophobicContact CD1-CB 4.47Å; L8-V18 HydrophobicContact CD1-CG1 3.62Å; L8-V21 HydrophobicContact CB-CG2 4.27Å
9A92Very high86.8Confident47 Ų4772.4 Ų72.439%0.38837%0.366SS..Hα-helixtrans-61.6-33.217700000112.5D5 M6 N7D5-A9 PolarHBondContact O-N 3.4Å; M6-A9 PolarHBondContact O-N 2.89Å; N7-A9 PolarHBondContact O-N 3.41Å
10T91.9Very high87Confident52 Ų5275 Ų7532%0.31937%0.371SS..Hα-helixtrans-72.2-48.3176.1-58.40000111M6 N7 L8 R12 K13 F14 L65M6-T10 PolarHBondContact O-N 3.11Å; M6-T10 VanDerWaalsContact O-N 3.12Å; M6-T10 PolarHBondContact O-OG1 2.84Å; N7-T10 WeakPolarHBondContact O-CB 3.48Å; N7-T10 PolarHBondContact O-N 3.47Å; N7-T10 VanDerWaalsContact O-N 3.16Å; L8-T10 PolarHBondContact O-N 2.89Å; T10-R12 VanDerWaalsContact C-N 3.32Å; T10-R12 PolarHBondContact O-N 3.3Å; T10-K13 WeakPolarHBondContact O-CB 3.37Å; T10-K13 PolarHBondContact O-N 2.95Å; T10-K13 VanDerWaalsContact O-N 3.12Å; T10-F14 HydrophobicContact CG2-CE2 3.98Å; T10-F14 VanDerWaalsContact O-CD2 3.24Å; T10-F14 WeakPolarHBondContact O-CD2 3.45Å; T10-L65 HydrophobicContact CG2-CD1 4.08Å
11L94.1Very high87.4Confident1 Ų171.6 Ų71.61%0.00535%0.354CS..Hα-helixtrans-59.7-41178.6-74.5160.9000112.1N7 L8 K13 F14 D15 V18 V21 F50 F63 L65N7-L11 WeakPolarHBondContact O-CG 3.47Å; N7-L11 PolarHBondContact O-N 3.07Å; L8-L11 PolarHBondContact O-N 3.13Å; L11-K13 PolarHBondContact O-N 3.32Å; L11-K13 VanDerWaalsContact O-N 3.16Å; L11-F14 PolarHBondContact O-N 3.4Å; L11-D15 PolarHBondContact O-N 2.96Å; L11-V18 HydrophobicContact CB-CG1 4.24Å; L11-V18 HydrophobicContact CB-CG2 4.41Å; L11-V21 HydrophobicContact CD1-CG2 3.52Å; L11-F50 HydrophobicContact CD1-CB 3.98Å; L11-F50 HydrophobicContact CD1-CD1 4.12Å; L11-F50 HydrophobicContact CD1-CD2 4.35Å; L11-F50 HydrophobicContact CD1-CG 3.88Å; L11-F50 HydrophobicContact CD2-CB 4.36Å; L11-F50 HydrophobicContact CD2-CD2 4.04Å; L11-F50 HydrophobicContact CD2-CG 4.29Å; L11-F63 HydrophobicContact CD2-CB 4.11Å; L11-F63 HydrophobicContact CD2-CD1 4.42Å; L11-F63 HydrophobicContact CD2-CD2 4.49Å; L11-F63 HydrophobicContact CD2-CG 4.1Å; L11-L65 HydrophobicContact CD2-CD1 4.1Å; L11-L65 HydrophobicContact CD2-CD2 4.06Å; L11-L65 HydrophobicContact CD2-CG 4.2Å
12R94.4Very high89.3Confident122 Ų12264.1 Ų64.146%0.4632%0.318SS..Hα-helixtrans-62.9-18.8177.3-78.4-178.8174173.7-0.8115L8 T10 F14 D15 V18 V19L8-R12 HydrophobicContact CD1-CG 4.27Å; L8-R12 WeakPolarHBondContact O-CB 3.39Å; L8-R12 WeakPolarHBondContact O-CG 3.4Å; L8-R12 PolarHBondContact O-N 2.86Å; T10-R12 VanDerWaalsContact C-N 3.32Å; T10-R12 PolarHBondContact O-N 3.3Å; R12-F14 VanDerWaalsContact C-N 3.29Å; R12-D15 WeakPolarHBondContact CA-O 3.2Å; R12-V18 HydrophobicContact CG-CB 4.35Å; R12-V18 PolarHBondContact NE-O 2.97Å; R12-V18 PolarHBondContact NH2-O 3.01Å; R12-V19 PolarHBondContact NH2-O 3.47Å
13K92.9Very high90.1Very high173 Ų17364.7 Ų64.775%0.75232%0.317SS*.Hα-helixtrans-72.1-27.3171.6-65.8174.7-178.5179.30112.1T10 L11T10-K13 WeakPolarHBondContact O-CB 3.37Å; T10-K13 PolarHBondContact O-N 2.95Å; T10-K13 VanDerWaalsContact O-N 3.12Å; L11-K13 PolarHBondContact O-N 3.32Å; L11-K13 VanDerWaalsContact O-N 3.16Å
14F90.9Very high91Very high125 Ų12558.3 Ų58.355%0.54830%0.297SS..Hα-helixtrans-97.7-41.3-178.9-59.4-73.2000112T10 L11 R12 L65 N72T10-F14 HydrophobicContact CG2-CE2 3.98Å; T10-F14 VanDerWaalsContact O-CD2 3.24Å; T10-F14 WeakPolarHBondContact O-CD2 3.45Å; L11-F14 PolarHBondContact O-N 3.4Å; R12-F14 VanDerWaalsContact C-N 3.29Å; F14-L65 HydrophobicContact CD2-CD2 4.02Å; F14-L65 HydrophobicContact CE2-CD1 4.39Å; F14-L65 HydrophobicContact CE2-CD2 4.23Å; F14-N72 WeakPolarHBondContact CD1-ND2 3.44Å
15D92.1Very high91.9Very high30 Ų3056.8 Ų56.816%0.1629%0.29CS..  trans-136.6106177-174.2-15.7000109.4L11 R12 S17 V18 K61 F63L11-D15 PolarHBondContact O-N 2.96Å; R12-D15 WeakPolarHBondContact CA-O 3.2Å; D15-S17 PolarHBondContact O-N 3.35Å; D15-S17 VanDerWaalsContact OD1-CB 3.26Å; D15-S17 WeakPolarHBondContact OD1-CB 3.49Å; D15-S17 PolarHBondContact OD1-N 3.09Å; D15-S17 PolarHBondContact OD1-OG 3.45Å; D15-S17 PolarHBondContact OD2-OG 3Å; D15-V18 HydrophobicContact CB-CG2 3.99Å; D15-V18 WeakPolarHBondContact O-CG2 3.26Å; D15-V18 PolarHBondContact O-N 3.3Å; D15-K61 IonicContact OD2-NZ 2.89Å; D15-K61 PolarHBondContact OD2-NZ 2.55Å; D15-F63 HydrophobicContact CB-CE1 3.91Å; D15-F63 HydrophobicContact CB-CZ 4.11Å
16S93.9Very high92.8Very high107 Ų10754.6 Ų54.675%0.74828%0.284SS*.THydrogen-bonded Turntrans-66.8-18-178.855.90000113.5V18S16-V18 PolarHBondContact O-N 2.96Å
17S93.9Very high93.4Very high20 Ų2051.5 Ų51.514%0.1427%0.267CS..THydrogen-bonded Turntrans-71.1-13.717872.20000112.9D15 V19 C54 E55D15-S17 PolarHBondContact O-N 3.35Å; D15-S17 VanDerWaalsContact OD1-CB 3.26Å; D15-S17 WeakPolarHBondContact OD1-CB 3.49Å; D15-S17 PolarHBondContact OD1-N 3.09Å; D15-S17 PolarHBondContact OD1-OG 3.45Å; D15-S17 PolarHBondContact OD2-OG 3Å; S17-V19 PolarHBondContact O-N 2.87Å; S17-V19 VanDerWaalsContact O-N 3.09Å; S17-C54 CarbonylContact O-C 3.54Å; S17-C54 WeakPolarHBondContact O-CA 3.23Å; S17-E55 PolarHBondContact O-N 2.87Å
18V94.9Very high93.9Very high1 Ų150.4 Ų50.41%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-66.1112.2-176.7-179.90000110.8L8 L11 R12 D15 S16 C52 F63L8-V18 HydrophobicContact CD1-CB 4.47Å; L8-V18 HydrophobicContact CD1-CG1 3.62Å; L11-V18 HydrophobicContact CB-CG1 4.24Å; L11-V18 HydrophobicContact CB-CG2 4.41Å; R12-V18 HydrophobicContact CG-CB 4.35Å; R12-V18 PolarHBondContact NE-O 2.97Å; R12-V18 PolarHBondContact NH2-O 3.01Å; D15-V18 HydrophobicContact CB-CG2 3.99Å; D15-V18 WeakPolarHBondContact O-CG2 3.26Å; D15-V18 PolarHBondContact O-N 3.3Å; S16-V18 PolarHBondContact O-N 2.96Å; V18-C52 HydrophobicContact CG1-CB 3.92Å; V18-F63 HydrophobicContact CG2-CE2 4.01Å; V18-F63 HydrophobicContact CG2-CZ 3.78Å
19V93.5Very high94.2Very high53 Ų5349.2 Ų49.232%0.32126%0.256SS..EExtended strand (participates in β ladder)trans-84.7-48.8178.7-1780000110.6R12 S17 L53 E55R12-V19 PolarHBondContact NH2-O 3.47Å; S17-V19 PolarHBondContact O-N 2.87Å; S17-V19 VanDerWaalsContact O-N 3.09Å; V19-L53 HydrophobicContact CB-CD2 4.31Å; V19-L53 HydrophobicContact CB-CG 4.37Å; V19-L53 WeakPolarHBondContact CB-O 3.35Å; V19-L53 HydrophobicContact CG1-CD2 4.32Å; V19-L53 PolarHBondContact N-O 2.95Å; V19-E55 HydrophobicContact CG2-CB 4.4Å; V19-E55 HydrophobicContact CG2-CG 3.28Å
20R92.2Very high94.4Very high123 Ų12347.2 Ų47.246%0.46424%0.239SC..EExtended strand (participates in β ladder)trans-150.9141.4-170.9171178.6174.7-161.9-0.3110.9C52 L53R20-C52 CarbonylContact O-C 3.5Å; R20-C52 VanDerWaalsContact O-CA 3.24Å; R20-C52 WeakPolarHBondContact O-CA 3.42Å; R20-C52 WeakPolarHBondContact O-CB 3.43Å; R20-L53 HydrophobicContact CB-CB 4.33Å; R20-L53 PolarHBondContact N-O 2.96Å; R20-L53 PolarHBondContact O-N 3.17Å
21V94Very high94.6Very high5 Ų547.6 Ų47.63%0.0324%0.235CC..EExtended strand (participates in β ladder)trans-82.7123.8164.5-176.10000108.8N7 L8 L11 F50N7-V21 HydrophobicContact CB-CG2 4.42Å; L8-V21 HydrophobicContact CB-CG2 4.27Å; L11-V21 HydrophobicContact CD1-CG2 3.52Å; V21-F50 HydrophobicContact CG1-CD1 4.09Å
22I94Very high94.6Very high36 Ų3651.8 Ų51.819%0.18525%0.253CS..EExtended strand (participates in β ladder)trans-90.8-46.4178.9-58.2173.7000109.9I51 L53 Y60 L119I22-I51 HydrophobicContact CB-CG2 4.28Å; I22-I51 WeakPolarHBondContact CB-O 3.44Å; I22-I51 HydrophobicContact CD1-CG2 4.35Å; I22-I51 PolarHBondContact N-O 3.43Å; I22-L53 HydrophobicContact CD1-CB 4.21Å; I22-L53 HydrophobicContact CG1-CB 4.48Å; I22-Y60 HydrophobicContact CD1-CD1 3.64Å; I22-Y60 HydrophobicContact CD1-CE1 3.73Å; I22-L119 HydrophobicContact CD1-CD1 4.16Å; I22-L119 HydrophobicContact CD1-CD2 4.34Å
23H94.5Very high94.4Very high40 Ų4046.4 Ų46.419%0.18523%0.233CC..EExtended strand (participates in β ladder)trans-147.7159.3179.3-153.3-73.3000110.8F50 I51 K111H23-F50 WeakPolarHBondContact O-CA 3.26Å; H23-I51 HydrophobicContact CB-CB 4.29Å; H23-I51 HydrophobicContact CB-CD1 4.19Å; H23-I51 HydrophobicContact CB-CG1 4.5Å; H23-I51 PolarHBondContact N-O 2.84Å; H23-I51 PolarHBondContact O-N 3.37Å; H23-K111 WeakPolarHBondContact NE2-CB 3.15Å
24S95.3Very high94Very high27 Ų2740.1 Ų40.119%0.18921%0.207CC..EExtended strand (participates in β ladder)trans-141.6153.8173.3650000112.6L49S24-L49 CarbonylContact C-O 3.57Å; S24-L49 WeakPolarHBondContact CA-O 3.48Å
25A96.1Very high93.7Very high3 Ų337.9 Ų37.93%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-129.7146.1166.700000110.3V28 L49 F103 E108 V112A25-V28 HydrophobicContact CB-CG1 4.25Å; A25-L49 HydrophobicContact CB-CB 4.21Å; A25-L49 PolarHBondContact N-O 3.07Å; A25-L49 PolarHBondContact O-N 3.09Å; A25-F103 HydrophobicContact CB-CD1 4.04Å; A25-F103 HydrophobicContact CB-CE1 3.83Å; A25-E108 WeakPolarHBondContact CA-OE2 3.34Å; A25-E108 HydrophobicContact CB-CB 3.98Å; A25-V112 HydrophobicContact CB-CG2 4.28Å
26G95.6Very high93.4Very high21 Ų2143.9 Ų43.922%0.21623%0.233CC..EExtended strand (participates in β ladder)trans-76.2-39.9-168.100000114.3R67 E108G26-R67 PolarHBondContact O-NH2 3.27Å; G26-E108 PolarHBondContact N-OE2 2.86Å
27H97Very high93Very high45 Ų4545 Ų4521%0.20823%0.23CC..EExtended strand (participates in β ladder)trans-150.4119.3-178.1-172.3-173.8000110.9E46 G47 F104H27-E46 IonicContact CD2-OE1 3.98Å; H27-E46 IonicContact CE1-OE1 3.34Å; H27-E46 PolarHBondContact CE1-OE1 3.39Å; H27-E46 VanDerWaalsContact NE2-CG 3.35Å; H27-E46 WeakPolarHBondContact NE2-CG 3.28Å; H27-E46 IonicContact NE2-OE1 2.76Å; H27-E46 PolarHBondContact NE2-OE1 3Å; H27-G47 CarbonylContact C-O 3.51Å; H27-G47 VanDerWaalsContact CA-O 3.26Å; H27-G47 WeakPolarHBondContact CA-O 3.5Å; H27-F104 HydrophobicContact CB-CB 3.86Å; H27-F104 PolarHBondContact O-N 3.03Å
28V97.9Very high92.6Very high0 Ų046 Ų460%024%0.238CC..EExtended strand (participates in β ladder)trans-131.7157.4175-57.50000110.9A25 E46 G47 L49 V64 I101 W102 F103A25-V28 HydrophobicContact CB-CG1 4.25Å; V28-E46 WeakPolarHBondContact O-CA 3.41Å; V28-E46 WeakPolarHBondContact O-CG 3.48Å; V28-G47 PolarHBondContact N-O 3.45Å; V28-G47 PolarHBondContact O-N 3.29Å; V28-L49 HydrophobicContact CG1-CB 3.96Å; V28-L49 HydrophobicContact CG1-CD1 4.18Å; V28-L49 HydrophobicContact CG2-CB 3.85Å; V28-L49 HydrophobicContact CG2-CD1 4.27Å; V28-V64 HydrophobicContact CG2-CG1 3.71Å; V28-V64 HydrophobicContact CG2-CG2 3.93Å; V28-I101 HydrophobicContact CB-CG2 3.66Å; V28-I101 HydrophobicContact CG1-CG2 3.98Å; V28-I101 HydrophobicContact CG2-CG2 4.18Å; V28-W102 CarbonylContact C-O 3.6Å; V28-W102 WeakPolarHBondContact CA-O 3.26Å; V28-W102 WeakPolarHBondContact CB-O 3.35Å; V28-F103 HydrophobicContact CG1-CD1 3.59Å; V28-F103 HydrophobicContact CG1-CD2 4.49Å; V28-F103 HydrophobicContact CG1-CE1 3.62Å; V28-F103 HydrophobicContact CG1-CG 4.05Å; V28-F103 HydrophobicContact CG1-CZ 4.09Å
29A97.6Very high92.1Very high3 Ų346.5 Ų46.53%0.02524%0.243CC..EExtended strand (participates in β ladder)trans-131.1136.2171.400000110.1Y31 E46 W102A29-Y31 HydrophobicContact CB-CE2 4.27Å; A29-E46 HydrophobicContact CB-CG 4.06Å; A29-W102 HydrophobicContact CB-CE3 4.49Å; A29-W102 PolarHBondContact N-O 2.95Å; A29-W102 PolarHBondContact O-N 3.2Å
30L96.9Very high91.9Very high5 Ų546.2 Ų46.23%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-94.5142.3-178.9-101.167.1000112.4T43 V45 V64 F73 I101L30-T43 HydrophobicContact CB-CG2 4.37Å; L30-T43 WeakPolarHBondContact CB-OG1 3.45Å; L30-T43 WeakPolarHBondContact O-CB 3.43Å; L30-T43 PolarHBondContact O-N 2.99Å; L30-T43 PolarHBondContact O-OG1 3.31Å; L30-V45 HydrophobicContact CB-CB 4.14Å; L30-V45 HydrophobicContact CB-CG1 4.45Å; L30-V45 HydrophobicContact CD1-CG1 4.47Å; L30-V45 HydrophobicContact CD2-CB 4.45Å; L30-V45 HydrophobicContact CD2-CG1 4.26Å; L30-V45 PolarHBondContact N-O 2.91Å; L30-V64 HydrophobicContact CD1-CG2 3.85Å; L30-F73 HydrophobicContact CD2-CB 4.06Å; L30-F73 HydrophobicContact CD2-CD1 3.55Å; L30-F73 HydrophobicContact CD2-CD2 3.51Å; L30-F73 HydrophobicContact CD2-CE1 3.73Å; L30-F73 HydrophobicContact CD2-CE2 3.71Å; L30-F73 HydrophobicContact CD2-CG 3.42Å; L30-F73 VanDerWaalsContact CD2-CG 3.42Å; L30-F73 HydrophobicContact CD2-CZ 3.8Å; L30-I101 HydrophobicContact CD1-CD1 4.24Å; L30-I101 HydrophobicContact CD1-CG1 3.88Å; L30-I101 HydrophobicContact CD1-CG2 4.17Å; L30-I101 HydrophobicContact CG-CG1 4.25Å
31Y96.1Very high91.9Very high59 Ų5946.5 Ų46.523%0.23124%0.24CC..EExtended strand (participates in β ladder)trans-126.7142.3169.6-61.2-104.3000108.1A29 K41 K42 F89 G99 A100 W102A29-Y31 HydrophobicContact CB-CE2 4.27Å; Y31-K41 VanDerWaalsContact CA-O 3.32Å; Y31-K41 WeakPolarHBondContact CA-O 3.36Å; Y31-K42 VanDerWaalsContact CD1-CA 3.48Å; Y31-K42 HydrophobicContact CD1-CB 3.82Å; Y31-K42 HydrophobicContact CD1-CG 4.14Å; Y31-K42 HydrophobicContact CE1-CB 3.56Å; Y31-K42 HydrophobicContact CE1-CD 4.34Å; Y31-K42 HydrophobicContact CE1-CG 3.66Å; Y31-F89 HydrophobicContact CD2-CE1 4.08Å; Y31-F89 AromaticContact CE2-CE1 3.97Å; Y31-F89 HydrophobicContact CE2-CE1 3.97Å; Y31-G99 WeakPolarHBondContact O-CA 3.42Å; Y31-A100 PolarHBondContact N-O 3.01Å; Y31-A100 PolarHBondContact O-N 3.35Å; Y31-W102 HydrophobicContact CE2-CB 4.01Å
32K92.9Very high91.8Very high90 Ų9051.1 Ų51.139%0.39126%0.26SS..EExtended strand (participates in β ladder)trans-114.1142.1174-171173.3-177.5173.40108.4K41 T43 E96K32-K41 PolarHBondContact N-O 3.47Å; K32-K41 PolarHBondContact O-N 3.33Å; K32-T43 HydrophobicContact CB-CG2 4.03Å; K32-E96 IonicContact NZ-OE1 3.94Å
33F90.3Very high91.9Very high8 Ų851.3 Ų51.34%0.03526%0.263CS..EExtended strand (participates in β ladder)trans-79.2120167.5-168.7-104.5000109N35 G39 W40 I98 A189F33-N35 WeakPolarHBondContact CD1-OD1 3.44Å; F33-G39 VanDerWaalsContact CE2-N 3.31Å; F33-W40 HydrophobicContact CB-CD2 4.36Å; F33-W40 HydrophobicContact CB-CE3 4.22Å; F33-W40 HydrophobicContact CB-CH2 4.24Å; F33-W40 HydrophobicContact CB-CZ2 4.34Å; F33-W40 HydrophobicContact CB-CZ3 4.13Å; F33-W40 AromaticContact CD2-CD1 3.67Å; F33-W40 AromaticContact CD2-CD2 3.96Å; F33-W40 HydrophobicContact CD2-CD2 3.96Å; F33-W40 AromaticContact CD2-CE2 3.72Å; F33-W40 HydrophobicContact CD2-CG 4.05Å; F33-W40 HydrophobicContact CD2-CZ2 4.3Å; F33-W40 AromaticContact CD2-NE1 3.48Å; F33-W40 AromaticContact CE2-NE1 3.94Å; F33-I98 HydrophobicContact CB-CB 4.21Å; F33-I98 PolarHBondContact N-O 3.41Å; F33-A189 HydrophobicContact CD1-CB 3.69Å; F33-A189 HydrophobicContact CD2-CB 3.49Å; F33-A189 VanDerWaalsContact CD2-CB 3.49Å; F33-A189 HydrophobicContact CE1-CB 3.42Å; F33-A189 VanDerWaalsContact CE1-CB 3.42Å; F33-A189 HydrophobicContact CE2-CB 3.22Å; F33-A189 HydrophobicContact CG-CB 3.71Å; F33-A189 HydrophobicContact CZ-CB 3.18Å
34D85.3Confident91.9Very high41 Ų4153.7 Ų53.722%0.21928%0.277CS..EExtended strand (participates in β ladder)trans-87.6112.6173.3-170.3-36.4000107.9D36 L37 S38 G39D34-D36 VanDerWaalsContact C-N 3.33Å; D34-D36 PolarHBondContact OD1-N 2.9Å; D34-L37 HydrophobicContact CB-CB 4.19Å; D34-L37 PolarHBondContact OD1-N 3.41Å; D34-L37 VanDerWaalsContact OD1-N 3.16Å; D34-L37 WeakPolarHBondContact OD2-CD1 3.4Å; D34-S38 CarbonylContact O-C 3.59Å; D34-S38 VanDerWaalsContact O-CA 3.24Å; D34-S38 WeakPolarHBondContact O-CA 3.37Å; D34-S38 PolarHBondContact O-N 3.43Å; D34-G39 WeakPolarHBondContact CB-O 3.48Å; D34-G39 PolarHBondContact N-O 2.91Å; D34-G39 PolarHBondContact O-N 3.29Å
35N83.5Confident92Very high79 Ų7953.1 Ų53.142%0.42227%0.272SS..THydrogen-bonded Turntrans-67-36.8-177.9-67.4-18.5000111.6F33 S38 M193F33-N35 WeakPolarHBondContact CD1-OD1 3.44Å; N35-S38 PolarHBondContact O-N 3.45Å; N35-S38 PolarHBondContact O-OG 3.17Å; N35-M193 VanDerWaalsContact CG-CE 3.48Å; N35-M193 WeakPolarHBondContact ND2-CE 3.37Å; N35-M193 WeakPolarHBondContact OD1-CE 3.2Å
36D86.8Confident92.1Very high156 Ų15655.1 Ų55.183%0.83428%0.281SS*.THydrogen-bonded Turntrans-72-39.6-174.7-60.9-31.4000110.7D34 S38D34-D36 VanDerWaalsContact C-N 3.33Å; D34-D36 PolarHBondContact OD1-N 2.9Å; D36-S38 VanDerWaalsContact C-N 3.26Å
37L83.9Confident92.1Very high130 Ų13054.1 Ų54.168%0.68127%0.271SS*.THydrogen-bonded Turntrans-84.3-4.5173.8-61.4177.1000112.9D34 G39D34-L37 HydrophobicContact CB-CB 4.19Å; D34-L37 PolarHBondContact OD1-N 3.41Å; D34-L37 VanDerWaalsContact OD1-N 3.16Å; D34-L37 WeakPolarHBondContact OD2-CD1 3.4Å; L37-G39 PolarHBondContact O-N 3.15Å
38S85.7Confident92.1Very high42 Ų4253 Ų5329%0.29427%0.268SS..THydrogen-bonded Turntrans4151.2-169.6-63.30000110.5D34 N35 D36 N186D34-S38 CarbonylContact O-C 3.59Å; D34-S38 VanDerWaalsContact O-CA 3.24Å; D34-S38 WeakPolarHBondContact O-CA 3.37Å; D34-S38 PolarHBondContact O-N 3.43Å; N35-S38 PolarHBondContact O-N 3.45Å; N35-S38 PolarHBondContact O-OG 3.17Å; D36-S38 VanDerWaalsContact C-N 3.26Å; S38-N186 WeakPolarHBondContact O-CB 3.31Å; S38-N186 PolarHBondContact O-ND2 3.04Å; S38-N186 PolarHBondContact O-OD1 3.06Å
39G84.9Confident92.1Very high11 Ų1153 Ų5311%0.11327%0.268CS..EExtended strand (participates in β ladder)trans-146.1144.3-157.700000112.8F33 D34 L37 N186F33-G39 VanDerWaalsContact CE2-N 3.31Å; D34-G39 WeakPolarHBondContact CB-O 3.48Å; D34-G39 PolarHBondContact N-O 2.91Å; D34-G39 PolarHBondContact O-N 3.29Å; L37-G39 PolarHBondContact O-N 3.15Å; G39-N186 WeakPolarHBondContact CA-OD1 3.38Å
40W90.2Very high92.1Very high46 Ų4653.4 Ų53.417%0.17427%0.27CS..EExtended strand (participates in β ladder)trans-80.4129.4167.8-7182.5000111.5F33 L91 I98 A100 L185 N186F33-W40 HydrophobicContact CB-CD2 4.36Å; F33-W40 HydrophobicContact CB-CE3 4.22Å; F33-W40 HydrophobicContact CB-CH2 4.24Å; F33-W40 HydrophobicContact CB-CZ2 4.34Å; F33-W40 HydrophobicContact CB-CZ3 4.13Å; F33-W40 AromaticContact CD2-CD1 3.67Å; F33-W40 AromaticContact CD2-CD2 3.96Å; F33-W40 HydrophobicContact CD2-CD2 3.96Å; F33-W40 AromaticContact CD2-CE2 3.72Å; F33-W40 HydrophobicContact CD2-CG 4.05Å; F33-W40 HydrophobicContact CD2-CZ2 4.3Å; F33-W40 AromaticContact CD2-NE1 3.48Å; F33-W40 AromaticContact CE2-NE1 3.94Å; W40-L91 HydrophobicContact CH2-CD2 3.93Å; W40-L91 HydrophobicContact CZ2-CD2 4.11Å; W40-I98 HydrophobicContact CH2-CG2 3.83Å; W40-I98 HydrophobicContact CZ2-CG2 4.27Å; W40-A100 HydrophobicContact CE3-CB 4.07Å; W40-A100 HydrophobicContact CH2-CB 3.72Å; W40-A100 HydrophobicContact CZ3-CB 3.42Å; W40-A100 VanDerWaalsContact CZ3-CB 3.42Å; W40-L185 HydrophobicContact CG-CB 4.27Å; W40-L185 HydrophobicContact CG-CD1 4.32Å; W40-L185 PolarHBondContact NE1-O 2.97Å; W40-L185 VanDerWaalsContact NE1-O 3.09Å; W40-N186 PolarHBondContact N-OD1 3.08Å
41K91.2Very high92.1Very high129 Ų12953.2 Ų53.256%0.56127%0.268SS*.EExtended strand (participates in β ladder)trans-116.8128.6176-175176.6177.1-179.10109.9Y31 K32 T43Y31-K41 VanDerWaalsContact CA-O 3.32Å; Y31-K41 WeakPolarHBondContact CA-O 3.36Å; K32-K41 PolarHBondContact N-O 3.47Å; K32-K41 PolarHBondContact O-N 3.33Å; K41-T43 PolarHBondContact O-N 3.31Å
42K92.5Very high92.1Very high103 Ų10350.4 Ų50.445%0.44826%0.257SS..EExtended strand (participates in β ladder)trans-65.3129.8169.1-167.8-176.2174.5-177.30108.5Y31 E46Y31-K42 VanDerWaalsContact CD1-CA 3.48Å; Y31-K42 HydrophobicContact CD1-CB 3.82Å; Y31-K42 HydrophobicContact CD1-CG 4.14Å; Y31-K42 HydrophobicContact CE1-CB 3.56Å; Y31-K42 HydrophobicContact CE1-CD 4.34Å; Y31-K42 HydrophobicContact CE1-CG 3.66Å; K42-E46 IonicContact NZ-OE2 3.22Å; K42-E46 PolarHBondContact NZ-OE2 3.31Å
43T94.8Very high92.2Very high39 Ų3948.5 Ų48.524%0.23925%0.251CS..EExtended strand (participates in β ladder)trans-84.9172.1173.870.70000110.7L30 K32 K41 V45L30-T43 HydrophobicContact CB-CG2 4.37Å; L30-T43 WeakPolarHBondContact CB-OG1 3.45Å; L30-T43 WeakPolarHBondContact O-CB 3.43Å; L30-T43 PolarHBondContact O-N 2.99Å; L30-T43 PolarHBondContact O-OG1 3.31Å; K32-T43 HydrophobicContact CB-CG2 4.03Å; K41-T43 PolarHBondContact O-N 3.31Å; T43-V45 PolarHBondContact O-N 3.46Å; T43-V45 PolarHBondContact OG1-N 3.43Å
44D95.7Very high92.4Very high90 Ų9048.4 Ų48.448%0.48125%0.251SS..EExtended strand (participates in β ladder)trans-85.613.7170.866.6-36.2000113N66D44-N66 PolarHBondContact O-ND2 3.26Å; D44-N66 PolarHBondContact O-OD1 3.47Å
45V97Very high92.7Very high16 Ų1653.1 Ų53.110%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-100.9110.5179.3-1800000110.7L30 T43 V64 F73L30-V45 HydrophobicContact CB-CB 4.14Å; L30-V45 HydrophobicContact CB-CG1 4.45Å; L30-V45 HydrophobicContact CD1-CG1 4.47Å; L30-V45 HydrophobicContact CD2-CB 4.45Å; L30-V45 HydrophobicContact CD2-CG1 4.26Å; L30-V45 PolarHBondContact N-O 2.91Å; T43-V45 PolarHBondContact O-N 3.46Å; T43-V45 PolarHBondContact OG1-N 3.43Å; V45-V64 HydrophobicContact CG1-CB 4.05Å; V45-V64 HydrophobicContact CG1-CG1 3.78Å; V45-F73 HydrophobicContact CG1-CB 3.78Å; V45-F73 HydrophobicContact CG2-CB 4.34Å
46E97.4Very high92.6Very high45 Ų4552.3 Ų52.321%0.2128%0.282CS..EExtended strand (participates in β ladder)trans-144.3126.9177.6-169.1176.513900110.6H27 V28 A29 K42 N66 R67 L68H27-E46 IonicContact CD2-OE1 3.98Å; H27-E46 IonicContact CE1-OE1 3.34Å; H27-E46 PolarHBondContact CE1-OE1 3.39Å; H27-E46 VanDerWaalsContact NE2-CG 3.35Å; H27-E46 WeakPolarHBondContact NE2-CG 3.28Å; H27-E46 IonicContact NE2-OE1 2.76Å; H27-E46 PolarHBondContact NE2-OE1 3Å; V28-E46 WeakPolarHBondContact O-CA 3.41Å; V28-E46 WeakPolarHBondContact O-CG 3.48Å; A29-E46 HydrophobicContact CB-CG 4.06Å; K42-E46 IonicContact NZ-OE2 3.22Å; K42-E46 PolarHBondContact NZ-OE2 3.31Å; E46-N66 PolarHBondContact N-OD1 2.92Å; E46-N66 VanDerWaalsContact N-OD1 3.1Å; E46-N66 PolarHBondContact O-OD1 3.25Å; E46-N66 VanDerWaalsContact O-OD1 3.1Å; E46-R67 WeakPolarHBondContact O-CB 3.45Å; E46-R67 PolarHBondContact O-N 2.94Å; E46-L68 HydrophobicContact CB-CD1 3.73Å; E46-L68 HydrophobicContact CB-CG 4.03Å
47G97.5Very high92Very high0 Ų050.5 Ų50.50%028%0.282CS..EExtended strand (participates in β ladder)trans168.4-149.2-175.700000115H27 V28 L65H27-G47 CarbonylContact C-O 3.51Å; H27-G47 VanDerWaalsContact CA-O 3.26Å; H27-G47 WeakPolarHBondContact CA-O 3.5Å; V28-G47 PolarHBondContact N-O 3.45Å; V28-G47 PolarHBondContact O-N 3.29Å; G47-L65 WeakPolarHBondContact CA-O 3.21Å
48S96.9Very high91.5Very high22 Ų2245.2 Ų45.215%0.15426%0.256CS..EExtended strand (participates in β ladder)trans-95.5137.1-178.947.70000111.6F50 V64 L65S48-F50 VanDerWaalsContact OG-CE2 3.31Å; S48-F50 WeakPolarHBondContact OG-CE2 3.47Å; S48-V64 WeakPolarHBondContact O-CA 3.37Å; S48-L65 PolarHBondContact N-O 2.95Å; S48-L65 PolarHBondContact O-N 3.35Å
49L97.8Very high91.7Very high0 Ų046.1 Ų46.10%026%0.256CS..EExtended strand (participates in β ladder)trans-99.3141.2-179.7-176.7151000111.1S24 A25 V28 I51 M62 F63 V64 I101 F103 V112S24-L49 CarbonylContact C-O 3.57Å; S24-L49 WeakPolarHBondContact CA-O 3.48Å; A25-L49 HydrophobicContact CB-CB 4.21Å; A25-L49 PolarHBondContact N-O 3.07Å; A25-L49 PolarHBondContact O-N 3.09Å; V28-L49 HydrophobicContact CG1-CB 3.96Å; V28-L49 HydrophobicContact CG1-CD1 4.18Å; V28-L49 HydrophobicContact CG2-CB 3.85Å; V28-L49 HydrophobicContact CG2-CD1 4.27Å; L49-I51 HydrophobicContact CD2-CG1 4.12Å; L49-M62 HydrophobicContact CD1-CG 4.16Å; L49-M62 HydrophobicContact CD1-SD 3.78Å; L49-M62 HydrophobicContact CD2-CG 4.29Å; L49-M62 HydrophobicContact CD2-SD 4.49Å; L49-M62 HydrophobicContact CG-CG 4.09Å; L49-M62 HydrophobicContact CG-SD 4.33Å; L49-F63 CarbonylContact C-O 3.51Å; L49-F63 VanDerWaalsContact CA-O 3.28Å; L49-F63 WeakPolarHBondContact CA-O 3.45Å; L49-V64 HydrophobicContact CB-CG2 4.26Å; L49-V64 HydrophobicContact CD1-CG2 4.15Å; L49-V64 HydrophobicContact CG-CG2 4.23Å; L49-I101 HydrophobicContact CD1-CD1 4.13Å; L49-I101 HydrophobicContact CD1-CG2 4.27Å; L49-F103 HydrophobicContact CD1-CE1 4.44Å; L49-F103 HydrophobicContact CD1-CZ 4.13Å; L49-V112 HydrophobicContact CD2-CG1 4.16Å; L49-V112 HydrophobicContact CD2-CG2 4.1Å
50F97.3Very high92.2Very high11 Ų1147.1 Ų47.15%0.04826%0.256CS..EExtended strand (participates in β ladder)trans-136134.2175.2-57.3-84.3000110.7N7 L11 V21 H23 S48 M62 F63 L65N7-F50 HydrophobicContact CB-CD1 4.41Å; N7-F50 HydrophobicContact CB-CE1 3.81Å; N7-F50 HydrophobicContact CB-CZ 4.45Å; L11-F50 HydrophobicContact CD1-CB 3.98Å; L11-F50 HydrophobicContact CD1-CD1 4.12Å; L11-F50 HydrophobicContact CD1-CD2 4.35Å; L11-F50 HydrophobicContact CD1-CG 3.88Å; L11-F50 HydrophobicContact CD2-CB 4.36Å; L11-F50 HydrophobicContact CD2-CD2 4.04Å; L11-F50 HydrophobicContact CD2-CG 4.29Å; V21-F50 HydrophobicContact CG1-CD1 4.09Å; H23-F50 WeakPolarHBondContact O-CA 3.26Å; S48-F50 VanDerWaalsContact OG-CE2 3.31Å; S48-F50 WeakPolarHBondContact OG-CE2 3.47Å; F50-M62 CarbonylContact O-C 3.53Å; F50-M62 WeakPolarHBondContact O-CA 3.41Å; F50-F63 HydrophobicContact CB-CB 4.41Å; F50-F63 PolarHBondContact N-O 3.09Å; F50-F63 PolarHBondContact O-N 2.81Å; F50-L65 HydrophobicContact CD2-CD1 4.22Å; F50-L65 HydrophobicContact CD2-CG 4.08Å; F50-L65 HydrophobicContact CE2-CB 4.41Å; F50-L65 HydrophobicContact CE2-CD1 3.69Å; F50-L65 HydrophobicContact CE2-CG 3.88Å
51I96.9Very high92.4Very high0 Ų046.8 Ų46.80%026%0.256CS..EExtended strand (participates in β ladder)trans-102.6127.8166.9-59.1174.6000106.9I22 H23 L49 V112 C115 L116 L119I22-I51 HydrophobicContact CB-CG2 4.28Å; I22-I51 WeakPolarHBondContact CB-O 3.44Å; I22-I51 HydrophobicContact CD1-CG2 4.35Å; I22-I51 PolarHBondContact N-O 3.43Å; H23-I51 HydrophobicContact CB-CB 4.29Å; H23-I51 HydrophobicContact CB-CD1 4.19Å; H23-I51 HydrophobicContact CB-CG1 4.5Å; H23-I51 PolarHBondContact N-O 2.84Å; H23-I51 PolarHBondContact O-N 3.37Å; L49-I51 HydrophobicContact CD2-CG1 4.12Å; I51-V112 HydrophobicContact CD1-CG1 4.15Å; I51-C115 HydrophobicContact CD1-CB 4.01Å; I51-L116 HydrophobicContact CD1-CD1 4.36Å; I51-L116 HydrophobicContact CD1-CD2 3.8Å; I51-L116 HydrophobicContact CD1-CG 3.68Å; I51-L116 HydrophobicContact CG1-CD2 4.27Å; I51-L119 HydrophobicContact CG2-CD1 3.47Å; I51-L119 VanDerWaalsContact CG2-CD1 3.47Å
52C96Very high92.7Very high0 Ų040.6 Ų40.60%023%0.23CC..EExtended strand (participates in β ladder)trans-130.7150.6-172.9-58.40000112.5V18 R20 Y60 K61 F63V18-C52 HydrophobicContact CG1-CB 3.92Å; R20-C52 CarbonylContact O-C 3.5Å; R20-C52 VanDerWaalsContact O-CA 3.24Å; R20-C52 WeakPolarHBondContact O-CA 3.42Å; R20-C52 WeakPolarHBondContact O-CB 3.43Å; C52-Y60 WeakPolarHBondContact O-CA 3.25Å; C52-K61 PolarHBondContact N-O 3.24Å; C52-K61 PolarHBondContact O-N 2.89Å; C52-K61 VanDerWaalsContact O-N 3.09Å; C52-F63 HydrophobicContact CB-CD2 4.2Å; C52-F63 HydrophobicContact CB-CE2 3.9Å
53L94.6Very high92.9Very high51 Ų5136 Ų3627%0.26721%0.209SC..EExtended strand (participates in β ladder)trans-85.8129.5159.7179.773000108.2V19 R20 I22 M59 Y60V19-L53 HydrophobicContact CB-CD2 4.31Å; V19-L53 HydrophobicContact CB-CG 4.37Å; V19-L53 WeakPolarHBondContact CB-O 3.35Å; V19-L53 HydrophobicContact CG1-CD2 4.32Å; V19-L53 PolarHBondContact N-O 2.95Å; R20-L53 HydrophobicContact CB-CB 4.33Å; R20-L53 PolarHBondContact N-O 2.96Å; R20-L53 PolarHBondContact O-N 3.17Å; I22-L53 HydrophobicContact CD1-CB 4.21Å; I22-L53 HydrophobicContact CG1-CB 4.48Å; L53-M59 CarbonylContact C-O 3.5Å; L53-M59 VanDerWaalsContact CA-O 3.28Å; L53-M59 WeakPolarHBondContact CA-O 3.4Å; L53-M59 HydrophobicContact CD1-CB 4.3Å; L53-M59 WeakPolarHBondContact CD1-O 3.43Å; L53-Y60 HydrophobicContact CD1-CD1 4.13Å; L53-Y60 HydrophobicContact CD1-CE1 3.63Å
54C94.8Very high93Very high5 Ų534.1 Ų34.13%0.03420%0.198CC..EExtended strand (participates in β ladder)trans-119.6152.5179-69.10000111.2S17 M59S17-C54 CarbonylContact O-C 3.54Å; S17-C54 WeakPolarHBondContact O-CA 3.23Å; C54-M59 PolarHBondContact N-O 2.79Å
55E91.2Very high93.1Very high141 Ų14130.8 Ų30.866%0.65918%0.18SC*.SBendtrans-73.6146.9166.6-57.3-173.2166.100110.3S17 V19S17-E55 PolarHBondContact O-N 2.87Å; V19-E55 HydrophobicContact CG2-CB 4.4Å; V19-E55 HydrophobicContact CG2-CG 3.28Å
56G82.6Confident93.1Very high61 Ų6130.9 Ų30.963%0.62918%0.18SC*.SBendtrans107.2-167.2177.200000113.8S58G56-S58 PolarHBondContact O-N 3.04Å
57S72.9Confident93Very high119 Ų11936 Ų3683%0.83220%0.197SC*.SBendtrans-63.5-28.2-17753.30000113.3M59S57-M59 PolarHBondContact O-N 2.63Å
58S74.4Confident92.9Very high18 Ų1841 Ų4113%0.12622%0.224CC..  trans-102.877.7-175.4-490000109.5G56 Y60 Q76G56-S58 PolarHBondContact O-N 3.04Å; S58-Y60 PolarHBondContact O-N 3.16Å; S58-Y60 VanDerWaalsContact O-N 3.16Å; S58-Q76 VanDerWaalsContact CB-OE1 3.27Å; S58-Q76 PolarHBondContact OG-NE2 2.87Å; S58-Q76 PolarHBondContact OG-OE1 3.07Å
59M88.8Confident92.7Very high62 Ų6241.5 Ų41.531%0.30523%0.227SC..  trans-57.1-33.6-172.8-71.9-175.5-77.700113.1L53 C54 S57L53-M59 CarbonylContact C-O 3.5Å; L53-M59 VanDerWaalsContact CA-O 3.28Å; L53-M59 WeakPolarHBondContact CA-O 3.4Å; L53-M59 HydrophobicContact CD1-CB 4.3Å; L53-M59 WeakPolarHBondContact CD1-O 3.43Å; C54-M59 PolarHBondContact N-O 2.79Å; S57-M59 PolarHBondContact O-N 2.63Å
60Y95.5Very high92.5Very high31 Ų3147.2 Ų47.212%0.12226%0.264CS..EExtended strand (participates in β ladder)trans-122.8130-175.8-56.7-68.4000111.6I22 C52 L53 S58 I77 L119 V123I22-Y60 HydrophobicContact CD1-CD1 3.64Å; I22-Y60 HydrophobicContact CD1-CE1 3.73Å; C52-Y60 WeakPolarHBondContact O-CA 3.25Å; L53-Y60 HydrophobicContact CD1-CD1 4.13Å; L53-Y60 HydrophobicContact CD1-CE1 3.63Å; S58-Y60 PolarHBondContact O-N 3.16Å; S58-Y60 VanDerWaalsContact O-N 3.16Å; Y60-I77 PolarHBondContact O-N 3.44Å; Y60-L119 HydrophobicContact CD1-CD1 4.04Å; Y60-L119 HydrophobicContact CD1-CD2 3.79Å; Y60-L119 HydrophobicContact CD1-CG 4.45Å; Y60-L119 HydrophobicContact CD2-CD2 4.33Å; Y60-L119 HydrophobicContact CE1-CD2 3.6Å; Y60-L119 HydrophobicContact CE2-CD2 4.18Å; Y60-L119 HydrophobicContact CG-CD1 4.2Å; Y60-L119 HydrophobicContact CG-CD2 4.15Å; Y60-V123 HydrophobicContact CD2-CG2 3.8Å; Y60-V123 HydrophobicContact CE2-CG2 4.24Å
61K95.9Very high92.3Very high39 Ų3953.2 Ų53.217%0.1729%0.292CS..EExtended strand (participates in β ladder)trans-134146.1175.7-62.8-175.4-166172.80111D15 C52 F63 V74 L75D15-K61 IonicContact OD2-NZ 2.89Å; D15-K61 PolarHBondContact OD2-NZ 2.55Å; C52-K61 PolarHBondContact N-O 3.24Å; C52-K61 PolarHBondContact O-N 2.89Å; C52-K61 VanDerWaalsContact O-N 3.09Å; K61-F63 HydrophobicContact CB-CD2 4.23Å; K61-F63 HydrophobicContact CB-CE2 3.54Å; K61-F63 HydrophobicContact CB-CZ 3.99Å; K61-F63 HydrophobicContact CD-CE2 4.3Å; K61-F63 HydrophobicContact CD-CZ 3.89Å; K61-V74 HydrophobicContact CD-CG1 4.04Å; K61-L75 CarbonylContact C-O 3.46Å; K61-L75 WeakPolarHBondContact CA-O 3.3Å
62M96.7Very high92.3Very high0 Ų055.4 Ų55.40%030%0.304CS..EExtended strand (participates in β ladder)trans-105.4125.2169.7-178.6177.473.200109.3L49 F50 F73 V74 L75 I77 I101 L116L49-M62 HydrophobicContact CD1-CG 4.16Å; L49-M62 HydrophobicContact CD1-SD 3.78Å; L49-M62 HydrophobicContact CD2-CG 4.29Å; L49-M62 HydrophobicContact CD2-SD 4.49Å; L49-M62 HydrophobicContact CG-CG 4.09Å; L49-M62 HydrophobicContact CG-SD 4.33Å; F50-M62 CarbonylContact O-C 3.53Å; F50-M62 WeakPolarHBondContact O-CA 3.41Å; M62-F73 HydrophobicContact CE-CE1 3.96Å; M62-V74 CarbonylContact O-C 3.54Å; M62-V74 WeakPolarHBondContact O-CA 3.22Å; M62-L75 HydrophobicContact CB-CB 4.45Å; M62-L75 HydrophobicContact CE-CB 4.13Å; M62-L75 HydrophobicContact CE-CD2 3.61Å; M62-L75 PolarHBondContact N-O 2.96Å; M62-L75 PolarHBondContact O-N 2.77Å; M62-I77 HydrophobicContact CB-CD1 4.28Å; M62-I101 HydrophobicContact CE-CD1 3.41Å; M62-I101 VanDerWaalsContact CE-CD1 3.41Å; M62-I101 HydrophobicContact SD-CD1 3.9Å; M62-L116 HydrophobicContact SD-CD1 4.15Å
63F96.9Very high92.3Very high6 Ų657.6 Ų57.63%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-110.9141178.4-63.2-98.2000109.5L11 D15 V18 L49 F50 C52 K61 F73 V74L11-F63 HydrophobicContact CD2-CB 4.11Å; L11-F63 HydrophobicContact CD2-CD1 4.42Å; L11-F63 HydrophobicContact CD2-CD2 4.49Å; L11-F63 HydrophobicContact CD2-CG 4.1Å; D15-F63 HydrophobicContact CB-CE1 3.91Å; D15-F63 HydrophobicContact CB-CZ 4.11Å; V18-F63 HydrophobicContact CG2-CE2 4.01Å; V18-F63 HydrophobicContact CG2-CZ 3.78Å; L49-F63 CarbonylContact C-O 3.51Å; L49-F63 VanDerWaalsContact CA-O 3.28Å; L49-F63 WeakPolarHBondContact CA-O 3.45Å; F50-F63 HydrophobicContact CB-CB 4.41Å; F50-F63 PolarHBondContact N-O 3.09Å; F50-F63 PolarHBondContact O-N 2.81Å; C52-F63 HydrophobicContact CB-CD2 4.2Å; C52-F63 HydrophobicContact CB-CE2 3.9Å; K61-F63 HydrophobicContact CB-CD2 4.23Å; K61-F63 HydrophobicContact CB-CE2 3.54Å; K61-F63 HydrophobicContact CB-CZ 3.99Å; K61-F63 HydrophobicContact CD-CE2 4.3Å; K61-F63 HydrophobicContact CD-CZ 3.89Å; F63-F73 CarbonylContact C-O 3.55Å; F63-F73 WeakPolarHBondContact CA-O 3.48Å; F63-V74 HydrophobicContact CD1-CB 4.42Å; F63-V74 HydrophobicContact CD1-CG1 4.09Å; F63-V74 HydrophobicContact CD1-CG2 3.67Å; F63-V74 HydrophobicContact CE1-CB 4.47Å; F63-V74 HydrophobicContact CE1-CG1 3.8Å; F63-V74 HydrophobicContact CE1-CG2 3.84Å; F63-V74 HydrophobicContact CZ-CG1 4.22Å
64V97.5Very high92.3Very high0 Ų058.7 Ų58.70%032%0.322CS..EExtended strand (participates in β ladder)trans-119.3110.3159.7-177.50000107.6V28 L30 V45 S48 L49 N66 F73V28-V64 HydrophobicContact CG2-CG1 3.71Å; V28-V64 HydrophobicContact CG2-CG2 3.93Å; L30-V64 HydrophobicContact CD1-CG2 3.85Å; V45-V64 HydrophobicContact CG1-CB 4.05Å; V45-V64 HydrophobicContact CG1-CG1 3.78Å; S48-V64 WeakPolarHBondContact O-CA 3.37Å; L49-V64 HydrophobicContact CB-CG2 4.26Å; L49-V64 HydrophobicContact CD1-CG2 4.15Å; L49-V64 HydrophobicContact CG-CG2 4.23Å; V64-N66 PolarHBondContact O-N 2.81Å; V64-F73 HydrophobicContact CB-CB 4.18Å; V64-F73 HydrophobicContact CG2-CD1 4.18Å; V64-F73 PolarHBondContact N-O 3.5Å; V64-F73 PolarHBondContact O-N 3.14Å
65L96.6Very high92.3Very high19 Ų1958.9 Ų58.910%0.09932%0.323CS..EExtended strand (participates in β ladder)trans-76.5111.2174.4-62.2-172.6000108.5T10 L11 F14 G47 S48 F50 N72T10-L65 HydrophobicContact CG2-CD1 4.08Å; L11-L65 HydrophobicContact CD2-CD1 4.1Å; L11-L65 HydrophobicContact CD2-CD2 4.06Å; L11-L65 HydrophobicContact CD2-CG 4.2Å; F14-L65 HydrophobicContact CD2-CD2 4.02Å; F14-L65 HydrophobicContact CE2-CD1 4.39Å; F14-L65 HydrophobicContact CE2-CD2 4.23Å; G47-L65 WeakPolarHBondContact CA-O 3.21Å; S48-L65 PolarHBondContact N-O 2.95Å; S48-L65 PolarHBondContact O-N 3.35Å; F50-L65 HydrophobicContact CD2-CD1 4.22Å; F50-L65 HydrophobicContact CD2-CG 4.08Å; F50-L65 HydrophobicContact CE2-CB 4.41Å; F50-L65 HydrophobicContact CE2-CD1 3.69Å; F50-L65 HydrophobicContact CE2-CG 3.88Å; L65-N72 VanDerWaalsContact CA-OD1 3.31Å; L65-N72 WeakPolarHBondContact CA-OD1 3.28Å; L65-N72 HydrophobicContact CD2-CB 4.35Å
66N97.1Very high92.5Very high18 Ų1855.9 Ų55.910%0.09631%0.309CS..EExtended strand (participates in β ladder)trans-76.5138.8-171.2-1662.7000110.8D44 E46 V64 L68 S69 E71 N72D44-N66 PolarHBondContact O-ND2 3.26Å; D44-N66 PolarHBondContact O-OD1 3.47Å; E46-N66 PolarHBondContact N-OD1 2.92Å; E46-N66 VanDerWaalsContact N-OD1 3.1Å; E46-N66 PolarHBondContact O-OD1 3.25Å; E46-N66 VanDerWaalsContact O-OD1 3.1Å; V64-N66 PolarHBondContact O-N 2.81Å; N66-L68 PolarHBondContact OD1-N 3.31Å; N66-S69 WeakPolarHBondContact CB-O 3.43Å; N66-S69 PolarHBondContact ND2-OG 3.28Å; N66-E71 WeakPolarHBondContact CB-O 3.5Å; N66-E71 PolarHBondContact ND2-O 2.66Å; N66-E71 VanDerWaalsContact ND2-O 3.11Å; N66-N72 PolarHBondContact N-OD1 3.34Å
67R95.5Very high93Very high152 Ų15253.2 Ų53.257%0.57428%0.28SS*.SBendtrans-99.6-17.6175.9-64-179.8-175.3155.77.1112.6G26 E46G26-R67 PolarHBondContact O-NH2 3.27Å; E46-R67 WeakPolarHBondContact O-CB 3.45Å; E46-R67 PolarHBondContact O-N 2.94Å
68L94.3Very high93.9Very high107 Ų10748.9 Ų48.956%0.5625%0.248SC*.SBendtrans-87.6-34.3-176.5-56.5-177000112.1E46 N66E46-L68 HydrophobicContact CB-CD1 3.73Å; E46-L68 HydrophobicContact CB-CG 4.03Å; N66-L68 PolarHBondContact OD1-N 3.31Å
69S93.6Very high94.7Very high31 Ų3152.6 Ų52.622%0.21727%0.266CS..SBendtrans-143164.3179.682.90000109.7N66 E71N66-S69 WeakPolarHBondContact CB-O 3.43Å; N66-S69 PolarHBondContact ND2-OG 3.28Å; S69-E71 PolarHBondContact O-N 3.09Å; S69-E71 PolarHBondContact OG-N 2.91Å
70P92.8Very high94.8Very high121 Ų12154.3 Ų54.379%0.78628%0.276SS*.SBendtrans-70.7-6.4173.930-35.4000113.4N72P70-N72 PolarHBondContact O-N 3.36Å
71E95.1Very high94.7Very high137 Ų13753.2 Ų53.264%0.6427%0.272SS*.  trans-83104.9-178.9-61.7-171.5174.800110.2N66 S69N66-E71 WeakPolarHBondContact CB-O 3.5Å; N66-E71 PolarHBondContact ND2-O 2.66Å; N66-E71 VanDerWaalsContact ND2-O 3.11Å; S69-E71 PolarHBondContact O-N 3.09Å; S69-E71 PolarHBondContact OG-N 2.91Å
72N96Very high94.6Very high46 Ų4653.3 Ų53.325%0.24627%0.274CS..  trans-82.8150.8176.9-59.8-49000110.7F14 L65 N66 P70F14-N72 WeakPolarHBondContact CD1-ND2 3.44Å; L65-N72 VanDerWaalsContact CA-OD1 3.31Å; L65-N72 WeakPolarHBondContact CA-OD1 3.28Å; L65-N72 HydrophobicContact CD2-CB 4.35Å; N66-N72 PolarHBondContact N-OD1 3.34Å; P70-N72 PolarHBondContact O-N 3.36Å
73F95.8Very high94.5Very high45 Ų4553.5 Ų53.520%0.19728%0.275CS..EExtended strand (participates in β ladder)trans-93.5136.1171.3174.3-94.8000110.6L30 V45 M62 F63 V64 L75 Y92L30-F73 HydrophobicContact CD2-CB 4.06Å; L30-F73 HydrophobicContact CD2-CD1 3.55Å; L30-F73 HydrophobicContact CD2-CD2 3.51Å; L30-F73 HydrophobicContact CD2-CE1 3.73Å; L30-F73 HydrophobicContact CD2-CE2 3.71Å; L30-F73 HydrophobicContact CD2-CG 3.42Å; L30-F73 VanDerWaalsContact CD2-CG 3.42Å; L30-F73 HydrophobicContact CD2-CZ 3.8Å; V45-F73 HydrophobicContact CG1-CB 3.78Å; V45-F73 HydrophobicContact CG2-CB 4.34Å; M62-F73 HydrophobicContact CE-CE1 3.96Å; F63-F73 CarbonylContact C-O 3.55Å; F63-F73 WeakPolarHBondContact CA-O 3.48Å; V64-F73 HydrophobicContact CB-CB 4.18Å; V64-F73 HydrophobicContact CG2-CD1 4.18Å; V64-F73 PolarHBondContact N-O 3.5Å; V64-F73 PolarHBondContact O-N 3.14Å; F73-L75 HydrophobicContact CE1-CB 3.58Å; F73-L75 HydrophobicContact CE1-CD2 4.49Å; F73-L75 HydrophobicContact CZ-CB 3.77Å; F73-L75 HydrophobicContact CZ-CD1 4.37Å; F73-L75 HydrophobicContact CZ-CD2 4.43Å; F73-L75 HydrophobicContact CZ-CG 4.43Å; F73-Y92 WeakPolarHBondContact CZ-OH 3.37Å
74V95.2Very high94.4Very high74 Ų7455.5 Ų55.545%0.44829%0.288SS..EExtended strand (participates in β ladder)trans-133127.2176.8-172.50000108.7K61 M62 F63K61-V74 HydrophobicContact CD-CG1 4.04Å; M62-V74 CarbonylContact O-C 3.54Å; M62-V74 WeakPolarHBondContact O-CA 3.22Å; F63-V74 HydrophobicContact CD1-CB 4.42Å; F63-V74 HydrophobicContact CD1-CG1 4.09Å; F63-V74 HydrophobicContact CD1-CG2 3.67Å; F63-V74 HydrophobicContact CE1-CB 4.47Å; F63-V74 HydrophobicContact CE1-CG1 3.8Å; F63-V74 HydrophobicContact CE1-CG2 3.84Å; F63-V74 HydrophobicContact CZ-CG1 4.22Å
75L94.9Very high94.2Very high9 Ų959.6 Ų59.65%0.04731%0.307CS..EExtended strand (participates in β ladder)trans-125.7129.9176.2-176.369.2000109.8K61 M62 F73 F81 Y92 N94K61-L75 CarbonylContact C-O 3.46Å; K61-L75 WeakPolarHBondContact CA-O 3.3Å; M62-L75 HydrophobicContact CB-CB 4.45Å; M62-L75 HydrophobicContact CE-CB 4.13Å; M62-L75 HydrophobicContact CE-CD2 3.61Å; M62-L75 PolarHBondContact N-O 2.96Å; M62-L75 PolarHBondContact O-N 2.77Å; F73-L75 HydrophobicContact CE1-CB 3.58Å; F73-L75 HydrophobicContact CE1-CD2 4.49Å; F73-L75 HydrophobicContact CZ-CB 3.77Å; F73-L75 HydrophobicContact CZ-CD1 4.37Å; F73-L75 HydrophobicContact CZ-CD2 4.43Å; F73-L75 HydrophobicContact CZ-CG 4.43Å; L75-F81 HydrophobicContact CD2-CD2 3.81Å; L75-F81 HydrophobicContact CD2-CE2 3.5Å; L75-F81 VanDerWaalsContact CD2-CE2 3.5Å; L75-F81 HydrophobicContact CG-CD2 4.46Å; L75-Y92 HydrophobicContact CD1-CE2 4.41Å; L75-Y92 HydrophobicContact CD2-CD2 3.71Å; L75-Y92 HydrophobicContact CD2-CE2 3.73Å; L75-Y92 HydrophobicContact CD2-CG 4.35Å; L75-N94 HydrophobicContact CD1-CB 4.11Å; L75-N94 WeakPolarHBondContact CD1-ND2 3.39Å
76Q94.2Very high93.9Very high78 Ų7860.1 Ų60.136%0.36431%0.309SS..EExtended strand (participates in β ladder)trans-80.2139172176.2169.6-3000110.5S58 D78S58-Q76 VanDerWaalsContact CB-OE1 3.27Å; S58-Q76 PolarHBondContact OG-NE2 2.87Å; S58-Q76 PolarHBondContact OG-OE1 3.07Å; Q76-D78 HydrophobicContact CG-CB 4.21Å
77I94.3Very high93.6Very high5 Ų564.3 Ų64.33%0.02633%0.331CS..  trans-95.693.6171.8-48.7-53.9000107.3Y60 M62 F81 L116 L119Y60-I77 PolarHBondContact O-N 3.44Å; M62-I77 HydrophobicContact CB-CD1 4.28Å; I77-F81 HydrophobicContact CD1-CD1 4.01Å; I77-F81 HydrophobicContact CD1-CD2 3.82Å; I77-F81 HydrophobicContact CD1-CE1 3.98Å; I77-F81 HydrophobicContact CD1-CE2 3.78Å; I77-F81 HydrophobicContact CD1-CG 3.93Å; I77-F81 HydrophobicContact CD1-CZ 3.86Å; I77-F81 HydrophobicContact CG2-CB 4.36Å; I77-F81 HydrophobicContact CG2-CD1 3.78Å; I77-F81 HydrophobicContact CG2-CE1 4.4Å; I77-F81 HydrophobicContact CG2-CG 4.15Å; I77-L116 HydrophobicContact CD1-CD2 3.6Å; I77-L116 HydrophobicContact CG1-CD2 4.04Å; I77-L119 HydrophobicContact CG2-CB 4.41Å
78D90.7Very high93.4Very high28 Ų2862.4 Ų62.415%0.1533%0.329CS..  trans-109.6-170.1179.358.328.3000111.6Q76 N80 F81Q76-D78 HydrophobicContact CG-CB 4.21Å; D78-N80 PolarHBondContact O-N 2.92Å; D78-N80 WeakPolarHBondContact OD1-CA 3.47Å; D78-N80 WeakPolarHBondContact OD1-CB 3.24Å; D78-N80 PolarHBondContact OD1-N 2.79Å; D78-F81 WeakPolarHBondContact O-CB 3.33Å; D78-F81 PolarHBondContact O-N 3.34Å; D78-F81 PolarHBondContact OD1-N 3.41Å
79L91.6Very high93.4Very high97 Ų9759.5 Ų59.551%0.50831%0.312SS..THydrogen-bonded Turntrans-65.2-22.7177.6-72.2164.2000113.3V123L79-V123 HydrophobicContact CD2-CG1 4.3Å; L79-V123 HydrophobicContact CG-CG1 4.22Å
80N90.5Very high93.6Very high98 Ų9858 Ų5852%0.52430%0.301SS..THydrogen-bonded Turntrans-92.1-7.8-178.9-61.577.7000111.8D78 W95D78-N80 PolarHBondContact O-N 2.92Å; D78-N80 WeakPolarHBondContact OD1-CA 3.47Å; D78-N80 WeakPolarHBondContact OD1-CB 3.24Å; D78-N80 PolarHBondContact OD1-N 2.79Å; N80-W95 HydrophobicContact CB-CB 4.23Å
81F94.1Very high93.7Very high8 Ų853.3 Ų53.34%0.03527%0.27CS..  trans-76.7128.5176.6179.8-89.4000111.2L75 I77 D78 C83 Y92 R93 L116 A120L75-F81 HydrophobicContact CD2-CD2 3.81Å; L75-F81 HydrophobicContact CD2-CE2 3.5Å; L75-F81 VanDerWaalsContact CD2-CE2 3.5Å; L75-F81 HydrophobicContact CG-CD2 4.46Å; I77-F81 HydrophobicContact CD1-CD1 4.01Å; I77-F81 HydrophobicContact CD1-CD2 3.82Å; I77-F81 HydrophobicContact CD1-CE1 3.98Å; I77-F81 HydrophobicContact CD1-CE2 3.78Å; I77-F81 HydrophobicContact CD1-CG 3.93Å; I77-F81 HydrophobicContact CD1-CZ 3.86Å; I77-F81 HydrophobicContact CG2-CB 4.36Å; I77-F81 HydrophobicContact CG2-CD1 3.78Å; I77-F81 HydrophobicContact CG2-CE1 4.4Å; I77-F81 HydrophobicContact CG2-CG 4.15Å; D78-F81 WeakPolarHBondContact O-CB 3.33Å; D78-F81 PolarHBondContact O-N 3.34Å; D78-F81 PolarHBondContact OD1-N 3.41Å; F81-C83 HydrophobicContact CE1-CB 4.06Å; F81-C83 HydrophobicContact CZ-CB 3.88Å; F81-Y92 HydrophobicContact CE2-CD2 4.36Å; F81-Y92 HydrophobicContact CE2-CG 4.33Å; F81-R93 WeakPolarHBondContact CA-O 3.46Å; F81-L116 HydrophobicContact CE1-CB 4.08Å; F81-L116 HydrophobicContact CE1-CD2 4.2Å; F81-L116 HydrophobicContact CZ-CB 4.45Å; F81-L116 HydrophobicContact CZ-CD1 4.2Å; F81-L116 HydrophobicContact CZ-CD2 4.16Å; F81-A120 HydrophobicContact CD1-CB 4.4Å
82D93.3Very high93.8Very high40 Ų4047.4 Ų47.421%0.21424%0.241CC..EExtended strand (participates in β ladder)trans-144.5149.9173.5-169.96.9000109.3Y92 R93D82-Y92 VanDerWaalsContact O-CA 3.25Å; D82-Y92 WeakPolarHBondContact O-CA 3.49Å; D82-R93 HydrophobicContact CB-CG 3.82Å; D82-R93 PolarHBondContact N-O 2.93Å; D82-R93 PolarHBondContact O-N 3.36Å; D82-R93 IonicContact OD2-CZ 3.47Å; D82-R93 IonicContact OD2-NE 3.34Å; D82-R93 PolarHBondContact OD2-NE 3.45Å; D82-R93 IonicContact OD2-NH2 2.79Å; D82-R93 PolarHBondContact OD2-NH2 3.34Å
83C95.2Very high93.7Very high4 Ų450.5 Ų50.53%0.02725%0.25CC..EExtended strand (participates in β ladder)trans-147.4146.1-18074.70000113.7F81 L90 L91 N117F81-C83 HydrophobicContact CE1-CB 4.06Å; F81-C83 HydrophobicContact CZ-CB 3.88Å; C83-L90 HydrophobicContact CB-CD2 3.79Å; C83-L90 HydrophobicContact CB-CG 4.24Å; C83-L91 CarbonylContact C-O 3.54Å; C83-L91 WeakPolarHBondContact CA-O 3.38Å; C83-L91 WeakPolarHBondContact CB-O 3.34Å; C83-N117 PolarHBondContact O-OD1 2.99Å; C83-N117 PolarHBondContact SG-OD1 3.37Å; C83-N117 VanDerWaalsContact SG-OD1 3.36Å
84V93.4Very high93.4Very high48 Ų4849.6 Ų49.629%0.29125%0.247SC..EExtended strand (participates in β ladder)trans-132.6146.5178.2-62.40000110.6L91 L154V84-L91 HydrophobicContact CG2-CB 3.87Å; V84-L91 HydrophobicContact CG2-CD1 4.38Å; V84-L91 PolarHBondContact N-O 3.13Å; V84-L91 PolarHBondContact O-N 3.33Å; V84-L154 HydrophobicContact CG1-CD1 4.25Å; V84-L154 HydrophobicContact CG2-CD1 4.45Å
85E93.3Very high93.1Very high86 Ų8654.8 Ų54.840%0.40226%0.259SS..EExtended strand (participates in β ladder)trans-82.2127.8171-166.3163-171.800109.2R109 S110 I113E85-R109 IonicContact OE1-CZ 2.91Å; E85-R109 VanDerWaalsContact OE1-CZ 3.22Å; E85-R109 IonicContact OE1-NE 3.27Å; E85-R109 PolarHBondContact OE1-NE 3.36Å; E85-R109 IonicContact OE1-NH2 3.96Å; E85-R109 PolarHBondContact OE1-NH2 3.28Å; E85-S110 PolarHBondContact OE1-OG 3.45Å; E85-I113 HydrophobicContact CB-CD1 3.42Å; E85-I113 VanDerWaalsContact CB-CD1 3.42Å; E85-I113 HydrophobicContact CG-CD1 3.54Å
86K90.8Very high92.7Very high30 Ų3060 Ų6013%0.1328%0.283CS..EExtended strand (participates in β ladder)trans-142.1116.2172.1-170.4-176.5177-167.20110.3E88 F89 L91 M180 L188K86-E88 PolarHBondContact O-N 2.82Å; K86-F89 PolarHBondContact N-O 3.19Å; K86-F89 WeakPolarHBondContact O-CA 3.48Å; K86-F89 PolarHBondContact O-N 3.14Å; K86-L91 HydrophobicContact CB-CD1 3.94Å; K86-L91 HydrophobicContact CB-CG 4.26Å; K86-L91 HydrophobicContact CD-CD1 3.84Å; K86-M180 PolarHBondContact NZ-SD 3.01Å; K86-L188 HydrophobicContact CD-CD2 4.04Å; K86-L188 VanDerWaalsContact NZ-CD2 3.29Å
87D90.1Very high92.3Very high107 Ų10757.1 Ų57.157%0.57227%0.271SS*.THydrogen-bonded Turntrans51.1-116.4-178.6-55.5-47.8000111.6F89 R109D87-F89 VanDerWaalsContact C-N 3.32Å; D87-R109 PolarHBondContact O-NH1 2.85Å; D87-R109 VanDerWaalsContact O-NH1 3.07Å; D87-R109 PolarHBondContact O-NH2 3.42Å; D87-R109 VanDerWaalsContact O-NH2 3.09Å
88E91.8Very high92.3Very high111 Ų11158 Ų5852%0.51928%0.276SS..THydrogen-bonded Turntrans-85.9-0.8179.3-63.6-169.2156.900114.7K86 W102 R109K86-E88 PolarHBondContact O-N 2.82Å; E88-W102 PolarHBondContact OE2-NE1 3.29Å; E88-R109 VanDerWaalsContact CA-NH1 3.26Å; E88-R109 WeakPolarHBondContact O-CD 3.29Å
89F95.2Very high92.5Very high46 Ų4656.7 Ų56.720%0.20227%0.269CS..EExtended strand (participates in β ladder)trans-118.7149.2-165.2-59.4-94.6000112.8Y31 K86 D87 L91 A100 I101 W102Y31-F89 HydrophobicContact CD2-CE1 4.08Å; Y31-F89 AromaticContact CE2-CE1 3.97Å; Y31-F89 HydrophobicContact CE2-CE1 3.97Å; K86-F89 PolarHBondContact N-O 3.19Å; K86-F89 WeakPolarHBondContact O-CA 3.48Å; K86-F89 PolarHBondContact O-N 3.14Å; D87-F89 VanDerWaalsContact C-N 3.32Å; F89-L91 HydrophobicContact CB-CD2 4.39Å; F89-A100 HydrophobicContact CD1-CB 4.11Å; F89-I101 WeakPolarHBondContact CA-O 3.34Å; F89-W102 HydrophobicContact CD1-CB 3.81Å; F89-W102 HydrophobicContact CD1-CG 4.5Å; F89-W102 HydrophobicContact CE1-CB 3.6Å; F89-W102 AromaticContact CE1-CD1 3.85Å; F89-W102 HydrophobicContact CE1-CG 4.11Å; F89-W102 HydrophobicContact CZ-CB 4.42Å; F89-W102 AromaticContact CZ-CD1 3.82Å; F89-W102 HydrophobicContact CZ-CG 4.48Å
90L96.7Very high92.7Very high0 Ų052.2 Ų52.20%025%0.246CC..EExtended strand (participates in β ladder)trans-92.6116.4153.9-178.6166.4000107C83 Y92 A100 I101 F103 V112 I113 L116C83-L90 HydrophobicContact CB-CD2 3.79Å; C83-L90 HydrophobicContact CB-CG 4.24Å; L90-Y92 HydrophobicContact CD2-CD1 4.03Å; L90-Y92 HydrophobicContact CD2-CG 4.39Å; L90-A100 CarbonylContact O-C 3.49Å; L90-A100 VanDerWaalsContact O-CA 3.31Å; L90-A100 WeakPolarHBondContact O-CA 3.18Å; L90-I101 HydrophobicContact CB-CB 4.35Å; L90-I101 HydrophobicContact CD2-CD1 4.47Å; L90-I101 PolarHBondContact N-O 2.96Å; L90-I101 PolarHBondContact O-N 3.09Å; L90-F103 HydrophobicContact CB-CE2 3.76Å; L90-F103 HydrophobicContact CD1-CE2 4.36Å; L90-F103 HydrophobicContact CD1-CZ 4.38Å; L90-V112 HydrophobicContact CD1-CG1 4Å; L90-I113 HydrophobicContact CB-CD1 3.93Å; L90-I113 HydrophobicContact CB-CG1 4.02Å; L90-I113 HydrophobicContact CD1-CD1 4.29Å; L90-I113 HydrophobicContact CD1-CG1 3.45Å; L90-I113 VanDerWaalsContact CD1-CG1 3.45Å; L90-I113 HydrophobicContact CG-CD1 4.06Å; L90-I113 HydrophobicContact CG-CG1 3.7Å; L90-L116 HydrophobicContact CD1-CD1 3.54Å
91L96.2Very high93.1Very high23 Ų2347.6 Ų47.612%0.1222%0.221CC..EExtended strand (participates in β ladder)trans-90.6131.5169.1-59.9-179.5000108.5W40 C83 V84 K86 F89 A100W40-L91 HydrophobicContact CH2-CD2 3.93Å; W40-L91 HydrophobicContact CZ2-CD2 4.11Å; C83-L91 CarbonylContact C-O 3.54Å; C83-L91 WeakPolarHBondContact CA-O 3.38Å; C83-L91 WeakPolarHBondContact CB-O 3.34Å; V84-L91 HydrophobicContact CG2-CB 3.87Å; V84-L91 HydrophobicContact CG2-CD1 4.38Å; V84-L91 PolarHBondContact N-O 3.13Å; V84-L91 PolarHBondContact O-N 3.33Å; K86-L91 HydrophobicContact CB-CD1 3.94Å; K86-L91 HydrophobicContact CB-CG 4.26Å; K86-L91 HydrophobicContact CD-CD1 3.84Å; F89-L91 HydrophobicContact CB-CD2 4.39Å; L91-A100 HydrophobicContact CD2-CB 3.47Å; L91-A100 VanDerWaalsContact CD2-CB 3.47Å
92Y96.3Very high93.2Very high12 Ų1250.2 Ų50.25%0.04723%0.231CC..EExtended strand (participates in β ladder)trans-128.7152.9176.369.2-88.2000111.1F73 L75 F81 D82 L90 I98 G99 I101F73-Y92 WeakPolarHBondContact CZ-OH 3.37Å; L75-Y92 HydrophobicContact CD1-CE2 4.41Å; L75-Y92 HydrophobicContact CD2-CD2 3.71Å; L75-Y92 HydrophobicContact CD2-CE2 3.73Å; L75-Y92 HydrophobicContact CD2-CG 4.35Å; F81-Y92 HydrophobicContact CE2-CD2 4.36Å; F81-Y92 HydrophobicContact CE2-CG 4.33Å; D82-Y92 VanDerWaalsContact O-CA 3.25Å; D82-Y92 WeakPolarHBondContact O-CA 3.49Å; L90-Y92 HydrophobicContact CD2-CD1 4.03Å; L90-Y92 HydrophobicContact CD2-CG 4.39Å; Y92-I98 WeakPolarHBondContact O-CA 3.45Å; Y92-G99 PolarHBondContact N-O 3.07Å; Y92-G99 PolarHBondContact O-N 3.37Å; Y92-I101 HydrophobicContact CD1-CD1 4.09Å; Y92-I101 HydrophobicContact CD1-CG1 3.97Å; Y92-I101 HydrophobicContact CE1-CD1 3.98Å; Y92-I101 HydrophobicContact CE1-CG1 3.72Å
93R94Very high93.4Very high111 Ų11148.5 Ų48.542%0.41922%0.222SC..EExtended strand (participates in β ladder)trans-122.9147.9165.260.2174.2174.4174.10.5109.2F81 D82 I98F81-R93 WeakPolarHBondContact CA-O 3.46Å; D82-R93 HydrophobicContact CB-CG 3.82Å; D82-R93 PolarHBondContact N-O 2.93Å; D82-R93 PolarHBondContact O-N 3.36Å; D82-R93 IonicContact OD2-CZ 3.47Å; D82-R93 IonicContact OD2-NE 3.34Å; D82-R93 PolarHBondContact OD2-NE 3.45Å; D82-R93 IonicContact OD2-NH2 2.79Å; D82-R93 PolarHBondContact OD2-NH2 3.34Å; R93-I98 HydrophobicContact CB-CG1 4.37Å
94N90.1Very high93.4Very high27 Ų2754.6 Ų54.614%0.14425%0.248CC..  trans-129.9-168.516470.8-3.6000108.9L75 E96 S97L75-N94 HydrophobicContact CD1-CB 4.11Å; L75-N94 WeakPolarHBondContact CD1-ND2 3.39Å; N94-E96 PolarHBondContact O-N 2.8Å; N94-E96 PolarHBondContact OD1-N 3.36Å; N94-S97 PolarHBondContact N-O 2.9Å; N94-S97 VanDerWaalsContact N-O 3.14Å; N94-S97 PolarHBondContact OD1-N 2.93Å; N94-S97 PolarHBondContact OD1-O 2.95Å; N94-S97 VanDerWaalsContact OD1-O 3.05Å
95W89Confident93.5Very high183 Ų18356.3 Ų56.369%0.69325%0.252SS*.SBendtrans-65.6-20.6178.367.7-94.3000114.1N80N80-W95 HydrophobicContact CB-CB 4.23Å
96E86.4Confident93.6Very high117 Ų11758.7 Ų58.755%0.54726%0.263SS..SBendtrans-99.8-43.7-173.1-168.7-166.5157.500112.7K32 N94K32-E96 IonicContact NZ-OE1 3.94Å; N94-E96 PolarHBondContact O-N 2.8Å; N94-E96 PolarHBondContact OD1-N 3.36Å
97S86.2Confident93.9Very high18 Ų1862.5 Ų62.513%0.12628%0.281CS..  trans-162.4172.5-169.461.80000114N94N94-S97 PolarHBondContact N-O 2.9Å; N94-S97 VanDerWaalsContact N-O 3.14Å; N94-S97 PolarHBondContact OD1-N 2.93Å; N94-S97 PolarHBondContact OD1-O 2.95Å; N94-S97 VanDerWaalsContact OD1-O 3.05Å
98I92.7Very high94.2Very high24 Ų2458.5 Ų58.512%0.12326%0.258CS..EExtended strand (participates in β ladder)trans-103.6135.5173-58.7172.9000108.4F33 W40 Y92 R93 A192 M193F33-I98 HydrophobicContact CB-CB 4.21Å; F33-I98 PolarHBondContact N-O 3.41Å; W40-I98 HydrophobicContact CH2-CG2 3.83Å; W40-I98 HydrophobicContact CZ2-CG2 4.27Å; Y92-I98 WeakPolarHBondContact O-CA 3.45Å; R93-I98 HydrophobicContact CB-CG1 4.37Å; I98-A192 HydrophobicContact CD1-CB 3.81Å; I98-M193 HydrophobicContact CD1-CE 4.4Å; I98-M193 HydrophobicContact CD1-SD 4.45Å
99G95.1Very high94.4Very high0 Ų054 Ų540%024%0.237CC..EExtended strand (participates in β ladder)trans-135.7166.5178.200000112.6Y31 Y92Y31-G99 WeakPolarHBondContact O-CA 3.42Å; Y92-G99 PolarHBondContact N-O 3.07Å; Y92-G99 PolarHBondContact O-N 3.37Å
100A96.8Very high94.4Very high4 Ų453.1 Ų53.13%0.03324%0.237CC..EExtended strand (participates in β ladder)trans-134.6143.5174.800000109.7Y31 W40 F89 L90 L91Y31-A100 PolarHBondContact N-O 3.01Å; Y31-A100 PolarHBondContact O-N 3.35Å; W40-A100 HydrophobicContact CE3-CB 4.07Å; W40-A100 HydrophobicContact CH2-CB 3.72Å; W40-A100 HydrophobicContact CZ3-CB 3.42Å; W40-A100 VanDerWaalsContact CZ3-CB 3.42Å; F89-A100 HydrophobicContact CD1-CB 4.11Å; L90-A100 CarbonylContact O-C 3.49Å; L90-A100 VanDerWaalsContact O-CA 3.31Å; L90-A100 WeakPolarHBondContact O-CA 3.18Å; L91-A100 HydrophobicContact CD2-CB 3.47Å; L91-A100 VanDerWaalsContact CD2-CB 3.47Å
101I97.8Very high94.3Very high0 Ų056.5 Ų56.50%025%0.251CS..EExtended strand (participates in β ladder)trans-122.3115.2177-53.3-179.6000107.2V28 L30 L49 M62 F89 L90 Y92 F103V28-I101 HydrophobicContact CB-CG2 3.66Å; V28-I101 HydrophobicContact CG1-CG2 3.98Å; V28-I101 HydrophobicContact CG2-CG2 4.18Å; L30-I101 HydrophobicContact CD1-CD1 4.24Å; L30-I101 HydrophobicContact CD1-CG1 3.88Å; L30-I101 HydrophobicContact CD1-CG2 4.17Å; L30-I101 HydrophobicContact CG-CG1 4.25Å; L49-I101 HydrophobicContact CD1-CD1 4.13Å; L49-I101 HydrophobicContact CD1-CG2 4.27Å; M62-I101 HydrophobicContact CE-CD1 3.41Å; M62-I101 VanDerWaalsContact CE-CD1 3.41Å; M62-I101 HydrophobicContact SD-CD1 3.9Å; F89-I101 WeakPolarHBondContact CA-O 3.34Å; L90-I101 HydrophobicContact CB-CB 4.35Å; L90-I101 HydrophobicContact CD2-CD1 4.47Å; L90-I101 PolarHBondContact N-O 2.96Å; L90-I101 PolarHBondContact O-N 3.09Å; Y92-I101 HydrophobicContact CD1-CD1 4.09Å; Y92-I101 HydrophobicContact CD1-CG1 3.97Å; Y92-I101 HydrophobicContact CE1-CD1 3.98Å; Y92-I101 HydrophobicContact CE1-CG1 3.72Å; I101-F103 HydrophobicContact CB-CE2 3.87Å; I101-F103 HydrophobicContact CG2-CD2 4.07Å; I101-F103 HydrophobicContact CG2-CE2 3.5Å; I101-F103 HydrophobicContact CG2-CZ 3.91Å; I101-F103 WeakPolarHBondContact O-CD2 3.2Å
102W97.7Very high94.4Very high63 Ų6355.4 Ų55.424%0.23925%0.246CC..EExtended strand (participates in β ladder)trans-82.6142.2169.8-177.383.2000109.9V28 A29 Y31 E88 F89 F104V28-W102 CarbonylContact C-O 3.6Å; V28-W102 WeakPolarHBondContact CA-O 3.26Å; V28-W102 WeakPolarHBondContact CB-O 3.35Å; A29-W102 HydrophobicContact CB-CE3 4.49Å; A29-W102 PolarHBondContact N-O 2.95Å; A29-W102 PolarHBondContact O-N 3.2Å; Y31-W102 HydrophobicContact CE2-CB 4.01Å; E88-W102 PolarHBondContact OE2-NE1 3.29Å; F89-W102 HydrophobicContact CD1-CB 3.81Å; F89-W102 HydrophobicContact CD1-CG 4.5Å; F89-W102 HydrophobicContact CE1-CB 3.6Å; F89-W102 AromaticContact CE1-CD1 3.85Å; F89-W102 HydrophobicContact CE1-CG 4.11Å; F89-W102 HydrophobicContact CZ-CB 4.42Å; F89-W102 AromaticContact CZ-CD1 3.82Å; F89-W102 HydrophobicContact CZ-CG 4.48Å; W102-F104 HydrophobicContact CH2-CB 4.05Å; W102-F104 AromaticContact CH2-CD2 3.88Å; W102-F104 HydrophobicContact CH2-CD2 3.88Å; W102-F104 HydrophobicContact CH2-CG 4.47Å; W102-F104 HydrophobicContact CZ3-CB 3.92Å; W102-F104 HydrophobicContact CZ3-CD2 4.38Å
103F97.1Very high94.4Very high5 Ų555.2 Ų55.22%0.02225%0.245CC..EExtended strand (participates in β ladder)trans-118.5132.8178.7-73.2-105.8000110.5A25 V28 L49 L90 I101 K105 R109 V112A25-F103 HydrophobicContact CB-CD1 4.04Å; A25-F103 HydrophobicContact CB-CE1 3.83Å; V28-F103 HydrophobicContact CG1-CD1 3.59Å; V28-F103 HydrophobicContact CG1-CD2 4.49Å; V28-F103 HydrophobicContact CG1-CE1 3.62Å; V28-F103 HydrophobicContact CG1-CG 4.05Å; V28-F103 HydrophobicContact CG1-CZ 4.09Å; L49-F103 HydrophobicContact CD1-CE1 4.44Å; L49-F103 HydrophobicContact CD1-CZ 4.13Å; L90-F103 HydrophobicContact CB-CE2 3.76Å; L90-F103 HydrophobicContact CD1-CE2 4.36Å; L90-F103 HydrophobicContact CD1-CZ 4.38Å; I101-F103 HydrophobicContact CB-CE2 3.87Å; I101-F103 HydrophobicContact CG2-CD2 4.07Å; I101-F103 HydrophobicContact CG2-CE2 3.5Å; I101-F103 HydrophobicContact CG2-CZ 3.91Å; I101-F103 WeakPolarHBondContact O-CD2 3.2Å; F103-K105 PolarHBondContact O-N 2.96Å; F103-R109 HydrophobicContact CB-CB 3.77Å; F103-R109 HydrophobicContact CB-CG 4.33Å; F103-R109 HydrophobicContact CD1-CB 3.96Å; F103-R109 HydrophobicContact CD2-CB 3.78Å; F103-R109 HydrophobicContact CD2-CG 3.55Å; F103-R109 HydrophobicContact CE2-CB 4.37Å; F103-R109 HydrophobicContact CE2-CG 3.95Å; F103-R109 HydrophobicContact CG-CB 3.56Å; F103-R109 HydrophobicContact CG-CG 3.91Å; F103-V112 HydrophobicContact CE1-CB 4.07Å; F103-V112 HydrophobicContact CE1-CG1 4.11Å; F103-V112 HydrophobicContact CE1-CG2 4.08Å; F103-V112 HydrophobicContact CZ-CB 4.14Å; F103-V112 HydrophobicContact CZ-CG1 3.75Å
104F95.6Very high94.5Very high132 Ų13256.3 Ų56.358%0.57925%0.253SS*.SBendtrans-63.4-31.6173.4-179.2-105.7000112.6H27 W102H27-F104 HydrophobicContact CB-CB 3.86Å; H27-F104 PolarHBondContact O-N 3.03Å; W102-F104 HydrophobicContact CH2-CB 4.05Å; W102-F104 AromaticContact CH2-CD2 3.88Å; W102-F104 HydrophobicContact CH2-CD2 3.88Å; W102-F104 HydrophobicContact CH2-CG 4.47Å; W102-F104 HydrophobicContact CZ3-CB 3.92Å; W102-F104 HydrophobicContact CZ3-CD2 4.38Å
105K95.6Very high94.8Very high84 Ų8456 Ų5637%0.36525%0.253SS..  trans-119.8120.3-179.1-76164.3174.2-169.20111F103 H107 E108 R109F103-K105 PolarHBondContact O-N 2.96Å; K105-H107 PolarHBondContact O-N 2.83Å; K105-E108 HydrophobicContact CB-CB 4.11Å; K105-E108 HydrophobicContact CB-CG 3.86Å; K105-E108 VanDerWaalsContact CD-CD 3.41Å; K105-E108 HydrophobicContact CD-CG 4.01Å; K105-E108 WeakPolarHBondContact CD-OE1 2.96Å; K105-E108 IonicContact NZ-OE1 2.93Å; K105-E108 PolarHBondContact NZ-OE1 3.09Å; K105-E108 PolarHBondContact O-N 2.78Å; K105-E108 VanDerWaalsContact O-N 3.16Å; K105-R109 PolarHBondContact O-N 2.76Å; K105-R109 VanDerWaalsContact O-N 3.17Å
106E95Very high95.2Very high136 Ų13647.3 Ų47.364%0.63622%0.22SC*.Hα-helixtrans-54.7-46.5176.8179.4176.3-170.800112.9E108 R109 S110E106-E108 VanDerWaalsContact C-N 3.28Å; E106-E108 PolarHBondContact O-N 2.86Å; E106-R109 VanDerWaalsContact O-CB 3.27Å; E106-R109 WeakPolarHBondContact O-CB 3.45Å; E106-R109 PolarHBondContact O-N 3.27Å; E106-R109 VanDerWaalsContact O-N 3.1Å; E106-R109 IonicContact OE1-NH2 3.9Å; E106-S110 PolarHBondContact O-N 2.99Å; E106-S110 PolarHBondContact O-OG 2.87Å
107H95.9Very high95.6Very high110 Ų11044.2 Ų44.251%0.50921%0.207SC..Hα-helixtrans-64.1-32.5-179.364-91.3000113.2K105 K111K105-H107 PolarHBondContact O-N 2.83Å; H107-K111 WeakPolarHBondContact O-CG 3.47Å; H107-K111 PolarHBondContact O-N 3.27Å
108E96Very high96Very high22 Ų2246.7 Ų46.710%0.10322%0.222CC..Hα-helixtrans-69.4-39.3175.3-65-177.4174.800110.1A25 G26 K105 E106 K111 V112A25-E108 WeakPolarHBondContact CA-OE2 3.34Å; A25-E108 HydrophobicContact CB-CB 3.98Å; G26-E108 PolarHBondContact N-OE2 2.86Å; K105-E108 HydrophobicContact CB-CB 4.11Å; K105-E108 HydrophobicContact CB-CG 3.86Å; K105-E108 VanDerWaalsContact CD-CD 3.41Å; K105-E108 HydrophobicContact CD-CG 4.01Å; K105-E108 WeakPolarHBondContact CD-OE1 2.96Å; K105-E108 IonicContact NZ-OE1 2.93Å; K105-E108 PolarHBondContact NZ-OE1 3.09Å; K105-E108 PolarHBondContact O-N 2.78Å; K105-E108 VanDerWaalsContact O-N 3.16Å; E106-E108 VanDerWaalsContact C-N 3.28Å; E106-E108 PolarHBondContact O-N 2.86Å; E108-K111 PolarHBondContact O-N 3.35Å; E108-V112 WeakPolarHBondContact O-CB 3.42Å; E108-V112 VanDerWaalsContact O-CG2 3.31Å; E108-V112 WeakPolarHBondContact O-CG2 3.34Å; E108-V112 PolarHBondContact O-N 3.17Å
109R96.4Very high96.1Very high16 Ų1646.1 Ų46.16%0.0622%0.219CC..Hα-helixtrans-57-56.1174.6-173.9-177.970.5-136.25.5111.5E85 D87 E88 F103 K105 E106 K111 V112 I113E85-R109 IonicContact OE1-CZ 2.91Å; E85-R109 VanDerWaalsContact OE1-CZ 3.22Å; E85-R109 IonicContact OE1-NE 3.27Å; E85-R109 PolarHBondContact OE1-NE 3.36Å; E85-R109 IonicContact OE1-NH2 3.96Å; E85-R109 PolarHBondContact OE1-NH2 3.28Å; D87-R109 PolarHBondContact O-NH1 2.85Å; D87-R109 VanDerWaalsContact O-NH1 3.07Å; D87-R109 PolarHBondContact O-NH2 3.42Å; D87-R109 VanDerWaalsContact O-NH2 3.09Å; E88-R109 VanDerWaalsContact CA-NH1 3.26Å; E88-R109 WeakPolarHBondContact O-CD 3.29Å; F103-R109 HydrophobicContact CB-CB 3.77Å; F103-R109 HydrophobicContact CB-CG 4.33Å; F103-R109 HydrophobicContact CD1-CB 3.96Å; F103-R109 HydrophobicContact CD2-CB 3.78Å; F103-R109 HydrophobicContact CD2-CG 3.55Å; F103-R109 HydrophobicContact CE2-CB 4.37Å; F103-R109 HydrophobicContact CE2-CG 3.95Å; F103-R109 HydrophobicContact CG-CB 3.56Å; F103-R109 HydrophobicContact CG-CG 3.91Å; K105-R109 PolarHBondContact O-N 2.76Å; K105-R109 VanDerWaalsContact O-N 3.17Å; E106-R109 VanDerWaalsContact O-CB 3.27Å; E106-R109 WeakPolarHBondContact O-CB 3.45Å; E106-R109 PolarHBondContact O-N 3.27Å; E106-R109 VanDerWaalsContact O-N 3.1Å; E106-R109 IonicContact OE1-NH2 3.9Å; R109-K111 VanDerWaalsContact C-N 3.3Å; R109-K111 PolarHBondContact O-N 3.47Å; R109-V112 PolarHBondContact O-N 2.96Å; R109-V112 VanDerWaalsContact O-N 3.13Å; R109-I113 HydrophobicContact CG-CD1 3.79Å; R109-I113 HydrophobicContact CG-CG1 4.44Å; R109-I113 WeakPolarHBondContact O-CG1 3.25Å; R109-I113 PolarHBondContact O-N 3.23Å
110S95.3Very high96Very high29 Ų2946.7 Ų46.720%0.20322%0.224CC..Hα-helixtrans-63.9-35.4-175.7-510000112.2E85 E106 K114E85-S110 PolarHBondContact OE1-OG 3.45Å; E106-S110 PolarHBondContact O-N 2.99Å; E106-S110 PolarHBondContact O-OG 2.87Å; S110-K114 WeakPolarHBondContact O-CB 3.5Å; S110-K114 VanDerWaalsContact O-CG 3.25Å; S110-K114 WeakPolarHBondContact O-CG 3.46Å; S110-K114 PolarHBondContact O-N 3.07Å; S110-K114 VanDerWaalsContact O-N 3.17Å
111K95.7Very high95.8Very high71 Ų7153.5 Ų53.531%0.30925%0.252SS..Hα-helixtrans-66.5-43.1173.6-71.2-171.6178.6-162.20111.9H23 H107 E108 R109 K114 C115 D300H23-K111 WeakPolarHBondContact NE2-CB 3.15Å; H107-K111 WeakPolarHBondContact O-CG 3.47Å; H107-K111 PolarHBondContact O-N 3.27Å; E108-K111 PolarHBondContact O-N 3.35Å; R109-K111 VanDerWaalsContact C-N 3.3Å; R109-K111 PolarHBondContact O-N 3.47Å; K111-K114 PolarHBondContact O-N 3.32Å; K111-C115 WeakPolarHBondContact O-CB 3.31Å; K111-C115 PolarHBondContact O-N 2.99Å; K111-D300 IonicContact NZ-OD2 2.68Å; K111-D300 PolarHBondContact NZ-OD2 3.46Å
112V97.2Very high95.5Very high0 Ų057.8 Ų57.80%027%0.273CS..Hα-helixtrans-63.1-44.8177.8161.80000111.9A25 L49 I51 L90 F103 E108 R109 K114 C115 L116A25-V112 HydrophobicContact CB-CG2 4.28Å; L49-V112 HydrophobicContact CD2-CG1 4.16Å; L49-V112 HydrophobicContact CD2-CG2 4.1Å; I51-V112 HydrophobicContact CD1-CG1 4.15Å; L90-V112 HydrophobicContact CD1-CG1 4Å; F103-V112 HydrophobicContact CE1-CB 4.07Å; F103-V112 HydrophobicContact CE1-CG1 4.11Å; F103-V112 HydrophobicContact CE1-CG2 4.08Å; F103-V112 HydrophobicContact CZ-CB 4.14Å; F103-V112 HydrophobicContact CZ-CG1 3.75Å; E108-V112 WeakPolarHBondContact O-CB 3.42Å; E108-V112 VanDerWaalsContact O-CG2 3.31Å; E108-V112 WeakPolarHBondContact O-CG2 3.34Å; E108-V112 PolarHBondContact O-N 3.17Å; R109-V112 PolarHBondContact O-N 2.96Å; R109-V112 VanDerWaalsContact O-N 3.13Å; V112-K114 PolarHBondContact O-N 2.74Å; V112-C115 WeakPolarHBondContact O-CB 3.39Å; V112-C115 PolarHBondContact O-N 3.16Å; V112-L116 HydrophobicContact CG1-CD1 3.77Å; V112-L116 HydrophobicContact CG1-CG 4.45Å; V112-L116 WeakPolarHBondContact O-CG 3.41Å; V112-L116 PolarHBondContact O-N 3.2Å
113I96.6Very high95.1Very high7 Ų755.5 Ų55.54%0.03627%0.266CS..Hα-helixtrans-61.8-45.7178-68.6176.3000111.2E85 L90 R109 C115 L116 N117E85-I113 HydrophobicContact CB-CD1 3.42Å; E85-I113 VanDerWaalsContact CB-CD1 3.42Å; E85-I113 HydrophobicContact CG-CD1 3.54Å; L90-I113 HydrophobicContact CB-CD1 3.93Å; L90-I113 HydrophobicContact CB-CG1 4.02Å; L90-I113 HydrophobicContact CD1-CD1 4.29Å; L90-I113 HydrophobicContact CD1-CG1 3.45Å; L90-I113 VanDerWaalsContact CD1-CG1 3.45Å; L90-I113 HydrophobicContact CG-CD1 4.06Å; L90-I113 HydrophobicContact CG-CG1 3.7Å; R109-I113 HydrophobicContact CG-CD1 3.79Å; R109-I113 HydrophobicContact CG-CG1 4.44Å; R109-I113 WeakPolarHBondContact O-CG1 3.25Å; R109-I113 PolarHBondContact O-N 3.23Å; I113-C115 VanDerWaalsContact C-N 3.31Å; I113-C115 PolarHBondContact O-N 3.42Å; I113-L116 PolarHBondContact O-N 3.11Å; I113-N117 WeakPolarHBondContact O-CB 3.42Å; I113-N117 PolarHBondContact O-N 3.33Å; I113-N117 PolarHBondContact O-ND2 2.8Å
114K96.3Very high94.7Very high134 Ų13458 Ų5858%0.58328%0.284SS*.Hα-helixtrans-59.5-42.6175.4-73.3174.2-176.8-177.60112S110 K111 V112 T118S110-K114 WeakPolarHBondContact O-CB 3.5Å; S110-K114 VanDerWaalsContact O-CG 3.25Å; S110-K114 WeakPolarHBondContact O-CG 3.46Å; S110-K114 PolarHBondContact O-N 3.07Å; S110-K114 VanDerWaalsContact O-N 3.17Å; K111-K114 PolarHBondContact O-N 3.32Å; V112-K114 PolarHBondContact O-N 2.74Å; K114-T118 WeakPolarHBondContact O-CB 3.43Å; K114-T118 PolarHBondContact O-N 2.88Å; K114-T118 PolarHBondContact O-OG1 3.3Å
115C96.4Very high94.2Very high21 Ų2155.4 Ų55.414%0.14228%0.283CS..Hα-helixtrans-60.8-51.4176.3-176.90000111.1I51 K111 V112 I113 N117 T118 L119I51-C115 HydrophobicContact CD1-CB 4.01Å; K111-C115 WeakPolarHBondContact O-CB 3.31Å; K111-C115 PolarHBondContact O-N 2.99Å; V112-C115 WeakPolarHBondContact O-CB 3.39Å; V112-C115 PolarHBondContact O-N 3.16Å; I113-C115 VanDerWaalsContact C-N 3.31Å; I113-C115 PolarHBondContact O-N 3.42Å; C115-N117 PolarHBondContact O-N 3.21Å; C115-T118 WeakPolarHBondContact O-CB 3.33Å; C115-T118 PolarHBondContact O-N 2.94Å; C115-T118 VanDerWaalsContact O-N 3.13Å; C115-L119 WeakPolarHBondContact O-CG 3.49Å; C115-L119 PolarHBondContact O-N 2.8Å
116L97.2Very high93.2Very high0 Ų055.9 Ų55.90%029%0.286CS..Hα-helixtrans-60.9-44.9-179.9-73.1166.8000112.6I51 M62 I77 F81 L90 V112 I113 T118 L119 A120I51-L116 HydrophobicContact CD1-CD1 4.36Å; I51-L116 HydrophobicContact CD1-CD2 3.8Å; I51-L116 HydrophobicContact CD1-CG 3.68Å; I51-L116 HydrophobicContact CG1-CD2 4.27Å; M62-L116 HydrophobicContact SD-CD1 4.15Å; I77-L116 HydrophobicContact CD1-CD2 3.6Å; I77-L116 HydrophobicContact CG1-CD2 4.04Å; F81-L116 HydrophobicContact CE1-CB 4.08Å; F81-L116 HydrophobicContact CE1-CD2 4.2Å; F81-L116 HydrophobicContact CZ-CB 4.45Å; F81-L116 HydrophobicContact CZ-CD1 4.2Å; F81-L116 HydrophobicContact CZ-CD2 4.16Å; L90-L116 HydrophobicContact CD1-CD1 3.54Å; V112-L116 HydrophobicContact CG1-CD1 3.77Å; V112-L116 HydrophobicContact CG1-CG 4.45Å; V112-L116 WeakPolarHBondContact O-CG 3.41Å; V112-L116 PolarHBondContact O-N 3.2Å; I113-L116 PolarHBondContact O-N 3.11Å; L116-T118 VanDerWaalsContact C-N 3.25Å; L116-T118 PolarHBondContact O-N 2.87Å; L116-L119 PolarHBondContact O-N 2.9Å; L116-L119 VanDerWaalsContact O-N 3.17Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.44Å
117N95.1Very high91.6Very high52 Ų5253.8 Ų53.828%0.27828%0.279SS..Hα-helixtrans-62.4-33.1176.1-77-28.1000112.7C83 I113 C115 K121C83-N117 PolarHBondContact O-OD1 2.99Å; C83-N117 PolarHBondContact SG-OD1 3.37Å; C83-N117 VanDerWaalsContact SG-OD1 3.36Å; I113-N117 WeakPolarHBondContact O-CB 3.42Å; I113-N117 PolarHBondContact O-N 3.33Å; I113-N117 PolarHBondContact O-ND2 2.8Å; C115-N117 PolarHBondContact O-N 3.21Å; N117-K121 WeakPolarHBondContact O-CD 3.28Å; N117-K121 VanDerWaalsContact O-CG 3.26Å; N117-K121 WeakPolarHBondContact O-CG 3.35Å; N117-K121 PolarHBondContact O-N 3.44Å
118T94.9Very high89.9Confident71 Ų7154.8 Ų54.844%0.43629%0.287SS..Hα-helixtrans-69.9-43.9174.7-58.30000110.9K114 C115 L116 K121 M122K114-T118 WeakPolarHBondContact O-CB 3.43Å; K114-T118 PolarHBondContact O-N 2.88Å; K114-T118 PolarHBondContact O-OG1 3.3Å; C115-T118 WeakPolarHBondContact O-CB 3.33Å; C115-T118 PolarHBondContact O-N 2.94Å; C115-T118 VanDerWaalsContact O-N 3.13Å; L116-T118 VanDerWaalsContact C-N 3.25Å; L116-T118 PolarHBondContact O-N 2.87Å; T118-K121 PolarHBondContact O-N 3.49Å; T118-M122 HydrophobicContact CG2-CE 3.8Å; T118-M122 HydrophobicContact CG2-SD 4.45Å; T118-M122 WeakPolarHBondContact O-CG 3.16Å; T118-M122 PolarHBondContact O-N 2.88Å
119L94.8Very high87.8Confident11 Ų1161 Ų616%0.05832%0.316CS..Hα-helixtrans-66.2-42.9178.4-65.1179.2000112.2I22 I51 Y60 I77 C115 L116 K121 M122 V123I22-L119 HydrophobicContact CD1-CD1 4.16Å; I22-L119 HydrophobicContact CD1-CD2 4.34Å; I51-L119 HydrophobicContact CG2-CD1 3.47Å; I51-L119 VanDerWaalsContact CG2-CD1 3.47Å; Y60-L119 HydrophobicContact CD1-CD1 4.04Å; Y60-L119 HydrophobicContact CD1-CD2 3.79Å; Y60-L119 HydrophobicContact CD1-CG 4.45Å; Y60-L119 HydrophobicContact CD2-CD2 4.33Å; Y60-L119 HydrophobicContact CE1-CD2 3.6Å; Y60-L119 HydrophobicContact CE2-CD2 4.18Å; Y60-L119 HydrophobicContact CG-CD1 4.2Å; Y60-L119 HydrophobicContact CG-CD2 4.15Å; I77-L119 HydrophobicContact CG2-CB 4.41Å; C115-L119 WeakPolarHBondContact O-CG 3.49Å; C115-L119 PolarHBondContact O-N 2.8Å; L116-L119 PolarHBondContact O-N 2.9Å; L116-L119 VanDerWaalsContact O-N 3.17Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 2.91Å; L119-M122 HydrophobicContact CD2-SD 4.25Å; L119-M122 WeakPolarHBondContact O-CB 3.37Å; L119-M122 PolarHBondContact O-N 2.93Å; L119-M122 VanDerWaalsContact O-N 3.09Å; L119-V123 WeakPolarHBondContact O-CG2 3.45Å; L119-V123 PolarHBondContact O-N 3.13Å
120A92.5Very high85.5Confident13 Ų1367.5 Ų67.511%0.10735%0.352CS..Hα-helixtrans-59.5-40.3176.800000112F81 L116 V123 S124F81-A120 HydrophobicContact CD1-CB 4.4Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.44Å; A120-V123 PolarHBondContact O-N 2.97Å; A120-S124 PolarHBondContact O-N 3.34Å; A120-S124 PolarHBondContact O-OG 3.46Å
121K92.2Very high82.9Confident147 Ų14773.9 Ų73.964%0.63938%0.379SS*.Hα-helixtrans-63.8-42.3172.6-72.4172.6-175.6-179.60112.3N117 T118 L119 S124 S125N117-K121 WeakPolarHBondContact O-CD 3.28Å; N117-K121 VanDerWaalsContact O-CG 3.26Å; N117-K121 WeakPolarHBondContact O-CG 3.35Å; N117-K121 PolarHBondContact O-N 3.44Å; T118-K121 PolarHBondContact O-N 3.49Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 2.91Å; K121-S124 WeakPolarHBondContact O-CB 3.42Å; K121-S124 PolarHBondContact O-N 3.44Å; K121-S125 PolarHBondContact O-N 3.02Å; K121-S125 PolarHBondContact O-OG 2.87Å
122M91.7Very high80.4Confident89 Ų8977 Ų7744%0.43840%0.403SS..Hα-helixtrans-62.9-42.6176.9-71.4175.7175.900112.1T118 L119 S124 S125 Q126T118-M122 HydrophobicContact CG2-CE 3.8Å; T118-M122 HydrophobicContact CG2-SD 4.45Å; T118-M122 WeakPolarHBondContact O-CG 3.16Å; T118-M122 PolarHBondContact O-N 2.88Å; L119-M122 HydrophobicContact CD2-SD 4.25Å; L119-M122 WeakPolarHBondContact O-CB 3.37Å; L119-M122 PolarHBondContact O-N 2.93Å; L119-M122 VanDerWaalsContact O-N 3.09Å; M122-S124 VanDerWaalsContact C-N 3.3Å; M122-S124 PolarHBondContact O-N 3.46Å; M122-S125 PolarHBondContact O-N 3.26Å; M122-Q126 WeakPolarHBondContact O-CG 3.43Å; M122-Q126 PolarHBondContact O-N 3.17Å; M122-Q126 VanDerWaalsContact O-N 3.11Å
123V90.5Very high77.6Confident15 Ų1582.6 Ų82.69%0.09144%0.44CS..Hα-helixtrans-62.4-39.6175.7173.50000110.9Y60 L79 L119 A120 Q126 N127Y60-V123 HydrophobicContact CD2-CG2 3.8Å; Y60-V123 HydrophobicContact CE2-CG2 4.24Å; L79-V123 HydrophobicContact CD2-CG1 4.3Å; L79-V123 HydrophobicContact CG-CG1 4.22Å; L119-V123 WeakPolarHBondContact O-CG2 3.45Å; L119-V123 PolarHBondContact O-N 3.13Å; A120-V123 PolarHBondContact O-N 2.97Å; V123-Q126 PolarHBondContact O-N 3.46Å; V123-N127 PolarHBondContact O-ND2 2.91Å
124S87.8Confident75Confident57 Ų5787.9 Ų87.940%0.39948%0.477SS..Hα-helixtrans-65.1-40.3175.9-55.80000112.7A120 K121 M122A120-S124 PolarHBondContact O-N 3.34Å; A120-S124 PolarHBondContact O-OG 3.46Å; K121-S124 WeakPolarHBondContact O-CB 3.42Å; K121-S124 PolarHBondContact O-N 3.44Å; M122-S124 VanDerWaalsContact C-N 3.3Å; M122-S124 PolarHBondContact O-N 3.46Å
125S85.8Confident72.2Confident78 Ų7888.1 Ų88.155%0.54549%0.49SS..Hα-helixtrans-68.7-33.2177.5-66.80000114K121 M122 N127 I128K121-S125 PolarHBondContact O-N 3.02Å; K121-S125 PolarHBondContact O-OG 2.87Å; M122-S125 PolarHBondContact O-N 3.26Å; S125-N127 VanDerWaalsContact C-N 3.31Å; S125-N127 PolarHBondContact O-N 3.5Å; S125-I128 PolarHBondContact O-N 3.04Å
126Q73.4Confident69.5Low95 Ų9591.9 Ų91.944%0.44452%0.516SS..Hα-helixtrans-71.3-24-176.4-74.8-169.132.400113.9M122 V123 I128M122-Q126 WeakPolarHBondContact O-CG 3.43Å; M122-Q126 PolarHBondContact O-N 3.17Å; M122-Q126 VanDerWaalsContact O-N 3.11Å; V123-Q126 PolarHBondContact O-N 3.46Å; Q126-I128 VanDerWaalsContact C-N 3.27Å; Q126-I128 PolarHBondContact O-N 3.05Å
127N62Low66.7Low91 Ų9197.3 Ų97.349%0.48755%0.554SS.*THydrogen-bonded Turntrans-78.7-7.9179.3-72.8-72.3000113.6V123 S125V123-N127 PolarHBondContact O-ND2 2.91Å; S125-N127 VanDerWaalsContact C-N 3.31Å; S125-N127 PolarHBondContact O-N 3.5Å
128I59.7Low63.8Low131 Ų131100.8 Ų100.867%0.67258%0.582SS**THydrogen-bonded Turntrans-85.1-14.5180-61.1179.8000112.1S125 Q126S125-I128 PolarHBondContact O-N 3.04Å; Q126-I128 VanDerWaalsContact C-N 3.27Å; Q126-I128 PolarHBondContact O-N 3.05Å
129E51.6Low61.2Low153 Ų153103.1 Ų103.172%0.71560%0.602SS**THydrogen-bonded Turntrans-85.2-6.3-176.7-67.9-168.9178.500115
130D48.7Very low58.3Low152 Ų152110.8 Ų110.881%0.81364%0.643SS**THydrogen-bonded Turntrans-100.61.3179.8-77.8-33.6000114.7
131E41.8Very low55.6Low164 Ų164113.8 Ų113.877%0.76668%0.676SS**SBendtrans-115.7108.7175.5-145.6-176.9-177.100111.5P133E131-P133 VanDerWaalsContact O-CD 3.24Å; E131-P133 WeakPolarHBondContact O-CD 3.43Å
132V41.3Very low52.8Low135 Ų135114.6 Ų114.682%0.81869%0.687SS**  trans-60.2116.4-179.2-166.60000110.3S134V132-S134 PolarHBondContact O-N 2.9Å
133P40Very low50Low119 Ų119114.9 Ų114.977%0.77370%0.703SS**  trans-81.3105.9176.5-6.224.1000109.4E131E131-P133 VanDerWaalsContact O-CD 3.24Å; E131-P133 WeakPolarHBondContact O-CD 3.43Å
134S40.4Very low48Very low117 Ų117122.1 Ų122.182%0.81874%0.74SS**  trans-72.5130.6165.163.70000110.3V132V132-S134 PolarHBondContact O-N 2.9Å
135V39.2Very low46Very low139 Ų139127.8 Ų127.884%0.84276%0.76SS**  trans-72.2125.3-173.7175.10000111.4
136S39.1Very low43.9Very low100 Ų100128.8 Ų128.870%0.69977%0.773SS**  trans-177.9109.5142.2390000109.5
137S38.1Very low42.7Very low115 Ų115133.3 Ų133.380%0.80479%0.794SS**  93.5112.996.7-60.80000112.8
138S35.2Very low42.7Very low124 Ų124132.1 Ų132.187%0.86779%0.793SS**  trans-36138.3168-580000115.9
139S39.1Very low43.4Very low121 Ų121130.5 Ų130.585%0.84679%0.786SS**  -169.5141.1127.549.90000112.2
140N34.4Very low44.8Very low171 Ų171125.6 Ų125.691%0.91476%0.764SS**  trans-59.9144.6177.3-66.1-33000112.6
141G35.5Very low46.2Very low77 Ų77122.4 Ų122.479%0.79475%0.75SS**  trans-176.298.9169.700000112.9
142N33.3Very low48Very low163 Ų163117.5 Ų117.587%0.87273%0.732SS**  trans-16.5145.6166.8-64.6-31.7000119.9
143A33.7Very low49.8Very low96 Ų96113.7 Ų113.779%0.79371%0.706SS**  trans70.781.814700000117.3
144I47.1Very low51.4Low167 Ų167110.5 Ų110.586%0.85668%0.682SS**  trans-132.7130.6152.1-57.7-178.3000108.6
145E46.3Very low53Low175 Ų175108.8 Ų108.882%0.81866%0.664SS**  trans-34.7137.8-175.2-67.4158.4175.100115E147E145-E147 PolarHBondContact O-N 2.92Å
146A41.9Very low54.8Low100 Ų100106.7 Ų106.783%0.82665%0.648SS**  trans-58.697.4176.100000110.2S148A146-S148 PolarHBondContact O-N 3.42Å
147E49.1Very low56.5Low190 Ų190102.5 Ų102.589%0.88862%0.619SS**  trans-54.5105.9160.4-76.5-171.4164.100107.2E145 N149E145-E147 PolarHBondContact O-N 2.92Å; E147-N149 PolarHBondContact O-N 2.99Å
148S60.6Low58.3Low66 Ų66101.2 Ų101.246%0.46260%0.6SS.*  trans-61.6100.9-179.449.90000109A146 I150 L153A146-S148 PolarHBondContact O-N 3.42Å; S148-I150 PolarHBondContact O-N 3.23Å; S148-L153 WeakPolarHBondContact OG-CD1 3.47Å
149N76.1Confident60.3Low97 Ų97100 Ų10052%0.51958%0.58SS.*  trans-50.8135.7168.7-173.3-20.9000108.4E147 T151 T152 L153E147-N149 PolarHBondContact O-N 2.99Å; N149-T151 PolarHBondContact ND2-OG1 2.97Å; N149-T151 PolarHBondContact O-N 2.97Å; N149-T151 PolarHBondContact OD1-N 3.13Å; N149-T151 PolarHBondContact OD1-OG1 3.18Å; N149-T152 HydrophobicContact CB-CG2 4.36Å; N149-T152 PolarHBondContact N-OG1 3.33Å; N149-T152 WeakPolarHBondContact O-CA 3.41Å; N149-T152 WeakPolarHBondContact O-CB 3.29Å; N149-T152 PolarHBondContact O-N 3.43Å; N149-T152 PolarHBondContact O-OG1 2.99Å; N149-L153 PolarHBondContact O-N 3.37Å; N149-L153 VanDerWaalsContact O-N 3.14Å
150I79.3Confident62.1Low50 Ų50101.5 Ų101.526%0.25657%0.571SS.*Hα-helixtrans-50.6-31.6-177.8-172.6163.7000112.1S148 T152 L153 L154S148-I150 PolarHBondContact O-N 3.23Å; I150-T152 PolarHBondContact O-N 2.97Å; I150-L153 PolarHBondContact O-N 2.92Å; I150-L154 HydrophobicContact CD1-CD1 4.35Å; I150-L154 HydrophobicContact CG1-CD1 3.8Å; I150-L154 HydrophobicContact CG1-CG 3.98Å; I150-L154 WeakPolarHBondContact O-CB 3.37Å; I150-L154 VanDerWaalsContact O-CG 3.23Å; I150-L154 WeakPolarHBondContact O-CG 3.4Å; I150-L154 PolarHBondContact O-N 3.37Å
151T78.8Confident64Low84 Ų8495.9 Ų95.952%0.51554%0.539SS..Hα-helixtrans-58.6-46172.852.40000112.7N149 D155N149-T151 PolarHBondContact ND2-OG1 2.97Å; N149-T151 PolarHBondContact O-N 2.97Å; N149-T151 PolarHBondContact OD1-N 3.13Å; N149-T151 PolarHBondContact OD1-OG1 3.18Å; T151-D155 VanDerWaalsContact O-CB 3.26Å; T151-D155 WeakPolarHBondContact O-CB 3.44Å; T151-D155 PolarHBondContact O-N 2.81Å
152T78.8Confident65.9Low62 Ų6296.4 Ų96.438%0.3852%0.523SS..Hα-helixtrans-68.8-38.2177.664.30000112N149 I150 N156N149-T152 HydrophobicContact CB-CG2 4.36Å; N149-T152 PolarHBondContact N-OG1 3.33Å; N149-T152 WeakPolarHBondContact O-CA 3.41Å; N149-T152 WeakPolarHBondContact O-CB 3.29Å; N149-T152 PolarHBondContact O-N 3.43Å; N149-T152 PolarHBondContact O-OG1 2.99Å; I150-T152 PolarHBondContact O-N 2.97Å; T152-N156 WeakPolarHBondContact O-CB 3.36Å; T152-N156 PolarHBondContact O-N 2.88Å; T152-N156 PolarHBondContact O-ND2 2.94Å; T152-N156 VanDerWaalsContact O-ND2 3.09Å
153L79.4Confident67.8Low54 Ų5494.9 Ų94.928%0.28351%0.512SS..Hα-helixtrans-63.4-47.8175.5-99158.1000111.3S148 N149 I150 A157 S195S148-L153 WeakPolarHBondContact OG-CD1 3.47Å; N149-L153 PolarHBondContact O-N 3.37Å; N149-L153 VanDerWaalsContact O-N 3.14Å; I150-L153 PolarHBondContact O-N 2.92Å; L153-A157 WeakPolarHBondContact O-CB 3.47Å; L153-A157 PolarHBondContact O-N 3.38Å; L153-S195 WeakPolarHBondContact CD1-OG 3.4Å; L153-S195 WeakPolarHBondContact CD2-OG 3.36Å
154L73.3Confident69.8Low52 Ų5297 Ų9727%0.27251%0.506SS..Hα-helixtrans-69.2-37.9179.2-67.5177.4000112.4V84 I150 A157 F158V84-L154 HydrophobicContact CG1-CD1 4.25Å; V84-L154 HydrophobicContact CG2-CD1 4.45Å; I150-L154 HydrophobicContact CD1-CD1 4.35Å; I150-L154 HydrophobicContact CG1-CD1 3.8Å; I150-L154 HydrophobicContact CG1-CG 3.98Å; I150-L154 WeakPolarHBondContact O-CB 3.37Å; I150-L154 VanDerWaalsContact O-CG 3.23Å; I150-L154 WeakPolarHBondContact O-CG 3.4Å; I150-L154 PolarHBondContact O-N 3.37Å; L154-A157 WeakPolarHBondContact O-CB 3.5Å; L154-A157 PolarHBondContact O-N 3.33Å; L154-F158 WeakPolarHBondContact O-CB 3.24Å; L154-F158 PolarHBondContact O-N 2.84Å
155D74Confident70.8Confident82 Ų8294 Ų9444%0.43949%0.487SS..Hα-helixtrans-67.8-44.6176-166.655.6000111.2T151 A157 F158 Q159T151-D155 VanDerWaalsContact O-CB 3.26Å; T151-D155 WeakPolarHBondContact O-CB 3.44Å; T151-D155 PolarHBondContact O-N 2.81Å; D155-A157 VanDerWaalsContact C-N 3.34Å; D155-A157 PolarHBondContact O-N 2.95Å; D155-F158 PolarHBondContact O-N 2.77Å; D155-Q159 WeakPolarHBondContact O-CG 3.47Å; D155-Q159 PolarHBondContact O-N 3.47Å; D155-Q159 PolarHBondContact OD2-NE2 2.86Å; D155-Q159 VanDerWaalsContact OD2-NE2 3.09Å
156N78.8Confident71.7Confident95 Ų9589.8 Ų89.851%0.50848%0.476SS..Hα-helixtrans-62.1-41.4174.9-73.7-26.5000112T152 F158 Q159 K160T152-N156 WeakPolarHBondContact O-CB 3.36Å; T152-N156 PolarHBondContact O-N 2.88Å; T152-N156 PolarHBondContact O-ND2 2.94Å; T152-N156 VanDerWaalsContact O-ND2 3.09Å; N156-F158 VanDerWaalsContact C-N 3.34Å; N156-Q159 PolarHBondContact O-N 2.68Å; N156-K160 WeakPolarHBondContact O-CB 3.44Å; N156-K160 WeakPolarHBondContact O-CG 3.45Å; N156-K160 PolarHBondContact O-N 3.48Å
157A74Confident72.7Confident11 Ų1188.9 Ų88.99%0.09147%0.469CS..Hα-helixtrans-57.9-46.7173.100000111.4L153 L154 D155 K160 F161 L191L153-A157 WeakPolarHBondContact O-CB 3.47Å; L153-A157 PolarHBondContact O-N 3.38Å; L154-A157 WeakPolarHBondContact O-CB 3.5Å; L154-A157 PolarHBondContact O-N 3.33Å; D155-A157 VanDerWaalsContact C-N 3.34Å; D155-A157 PolarHBondContact O-N 2.95Å; A157-K160 PolarHBondContact O-N 3.01Å; A157-F161 PolarHBondContact O-N 3.32Å; A157-F161 VanDerWaalsContact O-N 3.1Å; A157-L191 HydrophobicContact CB-CB 4.46Å; A157-L191 HydrophobicContact CB-CD1 3.37Å; A157-L191 HydrophobicContact CB-CG 4.44Å
158F76Confident73Confident89 Ų8984.7 Ų84.739%0.3946%0.46SS..Hα-helixtrans-67.4-41.9179.8-172.4-110.3000112.4L154 D155 N156 F161 L162 M180L154-F158 WeakPolarHBondContact O-CB 3.24Å; L154-F158 PolarHBondContact O-N 2.84Å; D155-F158 PolarHBondContact O-N 2.77Å; N156-F158 VanDerWaalsContact C-N 3.34Å; F158-F161 WeakPolarHBondContact O-CB 3.47Å; F158-F161 PolarHBondContact O-N 3.5Å; F158-L162 HydrophobicContact CD1-CD1 4.05Å; F158-L162 HydrophobicContact CE1-CD1 3.68Å; F158-L162 HydrophobicContact CE1-CG 4.24Å; F158-L162 HydrophobicContact CZ-CD1 4.25Å; F158-L162 HydrophobicContact CZ-CD2 4.41Å; F158-L162 HydrophobicContact CZ-CG 4.43Å; F158-L162 WeakPolarHBondContact O-CG 3.4Å; F158-L162 PolarHBondContact O-N 3.31Å; F158-M180 HydrophobicContact CE2-CE 4.5Å
159Q76.2Confident72.1Confident98 Ų9888.8 Ų88.846%0.45847%0.466SS..Hα-helixtrans-64.1-42.2176.1-71.6-165.928.600112D155 N156 F161 L162 M163D155-Q159 WeakPolarHBondContact O-CG 3.47Å; D155-Q159 PolarHBondContact O-N 3.47Å; D155-Q159 PolarHBondContact OD2-NE2 2.86Å; D155-Q159 VanDerWaalsContact OD2-NE2 3.09Å; N156-Q159 PolarHBondContact O-N 2.68Å; Q159-F161 VanDerWaalsContact C-N 3.32Å; Q159-F161 PolarHBondContact O-N 3.37Å; Q159-L162 PolarHBondContact O-N 3.38Å; Q159-L162 VanDerWaalsContact O-N 3.16Å; Q159-M163 WeakPolarHBondContact O-CG 3.36Å; Q159-M163 PolarHBondContact O-N 3.3Å
160K77.2Confident70.5Confident153 Ų15393.7 Ų93.767%0.66548%0.482SS*.Hα-helixtrans-58.8-43.3173.9-82.4-175.1175.1179.90111.9N156 A157 L162 M163 E164N156-K160 WeakPolarHBondContact O-CB 3.44Å; N156-K160 WeakPolarHBondContact O-CG 3.45Å; N156-K160 PolarHBondContact O-N 3.48Å; A157-K160 PolarHBondContact O-N 3.01Å; K160-L162 VanDerWaalsContact C-N 3.34Å; K160-L162 PolarHBondContact O-N 3.2Å; K160-M163 PolarHBondContact O-N 3.08Å; K160-E164 PolarHBondContact O-N 3.16Å
161F74.8Confident68.7Low52 Ų5299.3 Ų99.323%0.22851%0.507CS..Hα-helixtrans-59.1-43.2174.6171.7-99.3000112.3A157 F158 Q159 E164 K165 M180 A184A157-F161 PolarHBondContact O-N 3.32Å; A157-F161 VanDerWaalsContact O-N 3.1Å; F158-F161 WeakPolarHBondContact O-CB 3.47Å; F158-F161 PolarHBondContact O-N 3.5Å; Q159-F161 VanDerWaalsContact C-N 3.32Å; Q159-F161 PolarHBondContact O-N 3.37Å; F161-E164 PolarHBondContact O-N 3.32Å; F161-K165 HydrophobicContact CE1-CD 4.27Å; F161-K165 HydrophobicContact CZ-CD 4.1Å; F161-K165 WeakPolarHBondContact O-CB 3.16Å; F161-K165 PolarHBondContact O-N 2.85Å; F161-M180 HydrophobicContact CE1-CE 4.46Å; F161-A184 HydrophobicContact CE2-CB 3.94Å; F161-A184 HydrophobicContact CZ-CB 4.1Å
162L76Confident66.7Low88 Ų88101.1 Ų101.146%0.46152%0.518SS..Hα-helixtrans-65.6-37.6176.4-67178.7000112.6F158 Q159 K160 S166F158-L162 HydrophobicContact CD1-CD1 4.05Å; F158-L162 HydrophobicContact CE1-CD1 3.68Å; F158-L162 HydrophobicContact CE1-CG 4.24Å; F158-L162 HydrophobicContact CZ-CD1 4.25Å; F158-L162 HydrophobicContact CZ-CD2 4.41Å; F158-L162 HydrophobicContact CZ-CG 4.43Å; F158-L162 WeakPolarHBondContact O-CG 3.4Å; F158-L162 PolarHBondContact O-N 3.31Å; Q159-L162 PolarHBondContact O-N 3.38Å; Q159-L162 VanDerWaalsContact O-N 3.16Å; K160-L162 VanDerWaalsContact C-N 3.34Å; K160-L162 PolarHBondContact O-N 3.2Å; L162-S166 PolarHBondContact O-N 3.37Å; L162-S166 VanDerWaalsContact O-N 3.15Å; L162-S166 PolarHBondContact O-OG 2.66Å
163M73.5Confident64.6Low131 Ų131102.3 Ų102.365%0.64553%0.534SS*.Hα-helixtrans-65.8-43.1176.4-71.4-179.48000111.7Q159 K160 S166 A167Q159-M163 WeakPolarHBondContact O-CG 3.36Å; Q159-M163 PolarHBondContact O-N 3.3Å; K160-M163 PolarHBondContact O-N 3.08Å; M163-S166 WeakPolarHBondContact CA-OG 3.24Å; M163-S166 PolarHBondContact O-N 2.92Å; M163-S166 PolarHBondContact O-OG 3.38Å; M163-A167 PolarHBondContact O-N 2.94Å
164E74.4Confident62.5Low142 Ų142109.6 Ų109.666%0.66456%0.563SS**Hα-helixtrans-68.5-37.9178.7-167.6164.5-161.200112K160 F161 S166 A167 S168K160-E164 PolarHBondContact O-N 3.16Å; F161-E164 PolarHBondContact O-N 3.32Å; E164-S166 VanDerWaalsContact C-N 3.25Å; E164-S166 PolarHBondContact O-N 3.32Å; E164-A167 PolarHBondContact O-N 3.16Å; E164-S168 PolarHBondContact O-N 3.48Å; E164-S168 PolarHBondContact O-OG 3.42Å
165K69Low60.8Low104 Ų104112.2 Ų112.245%0.45259%0.586SS.*Hα-helixtrans-71.4-17.5176.9-144.3-171178.8168.10113.9F161 R169F161-K165 HydrophobicContact CE1-CD 4.27Å; F161-K165 HydrophobicContact CZ-CD 4.1Å; F161-K165 WeakPolarHBondContact O-CB 3.16Å; F161-K165 PolarHBondContact O-N 2.85Å; K165-R169 VanDerWaalsContact CD-NH2 3.27Å; K165-R169 VanDerWaalsContact CE-NH2 3.31Å; K165-R169 VanDerWaalsContact CG-NH2 3.26Å; K165-R169 PolarHBondContact O-NE 2.9Å; K165-R169 PolarHBondContact O-NH2 3.12Å
166S64.9Low59.1Low85 Ų85113.7 Ų113.759%0.59460%0.603SS**Hα-helixtrans-93.4-29.6174.451.80000112.8L162 M163 E164L162-S166 PolarHBondContact O-N 3.37Å; L162-S166 VanDerWaalsContact O-N 3.15Å; L162-S166 PolarHBondContact O-OG 2.66Å; M163-S166 WeakPolarHBondContact CA-OG 3.24Å; M163-S166 PolarHBondContact O-N 2.92Å; M163-S166 PolarHBondContact O-OG 3.38Å; E164-S166 VanDerWaalsContact C-N 3.25Å; E164-S166 PolarHBondContact O-N 3.32Å
167A62.4Low57Low81 Ų81113.4 Ų113.467%0.66962%0.623SS**Hα-helixtrans-68.6-33.9174.300000113.4M163 E164 R169M163-A167 PolarHBondContact O-N 2.94Å; E164-A167 PolarHBondContact O-N 3.16Å; A167-R169 PolarHBondContact O-N 3.12Å
168S54.8Low55.6Low102 Ų102117.7 Ų117.771%0.71365%0.652SS**THydrogen-bonded Turntrans-86.31.6-174.9-58.30000115.2E164E164-S168 PolarHBondContact O-N 3.48Å; E164-S168 PolarHBondContact O-OG 3.42Å
169R42.7Very low54.4Low152 Ų152119.1 Ų119.157%0.57467%0.67SS**  trans-109.268.2-177-103.3-177.3-74.8-1764.7113.1K165 A167 H171K165-R169 VanDerWaalsContact CD-NH2 3.27Å; K165-R169 VanDerWaalsContact CE-NH2 3.31Å; K165-R169 VanDerWaalsContact CG-NH2 3.26Å; K165-R169 PolarHBondContact O-NE 2.9Å; K165-R169 PolarHBondContact O-NH2 3.12Å; A167-R169 PolarHBondContact O-N 3.12Å; R169-H171 VanDerWaalsContact C-N 3.32Å
170K41.7Very low53.2Low200 Ų200117.4 Ų117.487%0.8766%0.663SS**  trans-92.857.8153-74.4-174.6-179.8175.60110.3
171H41.4Very low52.7Low168 Ų168113.8 Ų113.878%0.77865%0.654SS**SBendtrans179.2133.5150.9-117.8-99.1000109.7R169R169-H171 VanDerWaalsContact C-N 3.32Å
172V36.8Very low51.9Low122 Ų122114.9 Ų114.974%0.73967%0.668SS**  trans75.9110164.6-168.60000117.2
173A35.4Very low51.3Low88 Ų88116.9 Ų116.973%0.72768%0.675SS**  trans-76.6157.1167.300000112.2
174K35.5Very low50.7Low206 Ų206110.8 Ų110.890%0.89665%0.645SS**  trans84.690142.9-138175.2-166.7176.80118.6
175S37Very low49.9Very low108 Ų108105.7 Ų105.776%0.75562%0.622SS**  trans178107.1144.553.50000108.6
176S38.2Very low49.6Very low113 Ų113102.1 Ų102.179%0.7961%0.608SS**  56.9110.7101.368.60000115.2
177G34.9Very low49.5Very low89 Ų89100.6 Ų100.692%0.91860%0.598SS**  trans44.488.4151.600000118.2
178S44.6Very low49.1Very low101 Ų10198.4 Ų98.471%0.70658%0.575SS**  trans-126.2134.7157.273.70000109.7
179P51.6Low49.2Very low119 Ų11993.8 Ų93.877%0.77354%0.542SS*.PPolyproline II helixtrans-56.9147.3171.824.4-31.3000110.1T181P179-T181 PolarHBondContact O-N 3.47Å
180M51.1Low50Low62 Ų6292 Ų9231%0.30554%0.541SS..PPolyproline II helixtrans-50.2130177.1-111.1-173.3-152.300110K86 F158 F161 A184K86-M180 PolarHBondContact NZ-SD 3.01Å; F158-M180 HydrophobicContact CE2-CE 4.5Å; F161-M180 HydrophobicContact CE1-CE 4.46Å; M180-A184 HydrophobicContact CB-CB 4.18Å; M180-A184 HydrophobicContact CG-CB 3.53Å; M180-A184 HydrophobicContact SD-CB 3.59Å; M180-A184 VanDerWaalsContact SD-CB 3.59Å
181T65.2Low50.9Low76 Ų7686 Ų8647%0.46652%0.518SS..PPolyproline II helixtrans-62.1151.9170.856.30000109.1P179 E183 A184P179-T181 PolarHBondContact O-N 3.47Å; T181-E183 PolarHBondContact O-N 2.87Å; T181-E183 PolarHBondContact OG1-OE2 3.09Å; T181-E183 VanDerWaalsContact OG1-OE2 3.13Å; T181-A184 PolarHBondContact O-N 3.42Å
182S59.1Low51.3Low76 Ų7680.2 Ų80.253%0.53150%0.499SS..Hα-helixtrans-45.8-37.4173.543.90000112A184 L185 N186S182-A184 PolarHBondContact O-N 3.1Å; S182-L185 PolarHBondContact O-N 3.29Å; S182-N186 WeakPolarHBondContact O-CB 3.39Å; S182-N186 PolarHBondContact O-N 3.47Å; S182-N186 PolarHBondContact O-ND2 3.17Å; S182-N186 PolarHBondContact O-OD1 3.3Å
183E64Low52.1Low129 Ų12976.9 Ų76.960%0.60348%0.476SS*.Hα-helixtrans-56.9-40.9177.4-61.8153.4166.900113.8T181 N186 S187T181-E183 PolarHBondContact O-N 2.87Å; T181-E183 PolarHBondContact OG1-OE2 3.09Å; T181-E183 VanDerWaalsContact OG1-OE2 3.13Å; E183-N186 WeakPolarHBondContact O-CB 3.46Å; E183-N186 PolarHBondContact O-N 3.16Å; E183-S187 PolarHBondContact O-N 3.41Å; E183-S187 PolarHBondContact O-OG 3.5Å
184A59.4Low52.9Low3 Ų379.6 Ų79.63%0.02548%0.478CS..Hα-helixtrans-72.2-33.7-179.100000111.7F161 M180 T181 S182 L188F161-A184 HydrophobicContact CE2-CB 3.94Å; F161-A184 HydrophobicContact CZ-CB 4.1Å; M180-A184 HydrophobicContact CB-CB 4.18Å; M180-A184 HydrophobicContact CG-CB 3.53Å; M180-A184 HydrophobicContact SD-CB 3.59Å; M180-A184 VanDerWaalsContact SD-CB 3.59Å; T181-A184 PolarHBondContact O-N 3.42Å; S182-A184 PolarHBondContact O-N 3.1Å; A184-L188 WeakPolarHBondContact O-CD1 3.27Å; A184-L188 PolarHBondContact O-N 3.18Å
185L58.9Low53.5Low35 Ų3572 Ų7218%0.18345%0.451CS..Hα-helixtrans-72-32.7172.4-85.9178.9000112W40 S182 A189W40-L185 HydrophobicContact CG-CB 4.27Å; W40-L185 HydrophobicContact CG-CD1 4.32Å; W40-L185 PolarHBondContact NE1-O 2.97Å; W40-L185 VanDerWaalsContact NE1-O 3.09Å; S182-L185 PolarHBondContact O-N 3.29Å; L185-A189 PolarHBondContact O-N 3.18Å
186N61.8Low53.5Low29 Ų2975.6 Ų75.616%0.15545%0.448CS..Hα-helixtrans-68-42.2175.4-63.3-7.4000111.9S38 G39 W40 S182 E183 L188 A189 E190S38-N186 WeakPolarHBondContact O-CB 3.31Å; S38-N186 PolarHBondContact O-ND2 3.04Å; S38-N186 PolarHBondContact O-OD1 3.06Å; G39-N186 WeakPolarHBondContact CA-OD1 3.38Å; W40-N186 PolarHBondContact N-OD1 3.08Å; S182-N186 WeakPolarHBondContact O-CB 3.39Å; S182-N186 PolarHBondContact O-N 3.47Å; S182-N186 PolarHBondContact O-ND2 3.17Å; S182-N186 PolarHBondContact O-OD1 3.3Å; E183-N186 WeakPolarHBondContact O-CB 3.46Å; E183-N186 PolarHBondContact O-N 3.16Å; N186-L188 VanDerWaalsContact C-N 3.27Å; N186-L188 PolarHBondContact O-N 3.47Å; N186-A189 PolarHBondContact O-N 2.83Å; N186-A189 VanDerWaalsContact O-N 3.08Å; N186-E190 PolarHBondContact O-N 2.94Å
187S62.9Low53.5Low54 Ų5475.7 Ų75.738%0.37845%0.446SS..Hα-helixtrans-60.6-34.9177.2-56.30000112.6E183 L191E183-S187 PolarHBondContact O-N 3.41Å; E183-S187 PolarHBondContact O-OG 3.5Å; S187-L191 WeakPolarHBondContact O-CD1 3.36Å; S187-L191 WeakPolarHBondContact O-CG 3.41Å; S187-L191 PolarHBondContact O-N 2.89Å
188L54.5Low53.7Low35 Ų3581.3 Ų81.318%0.18345%0.445CS..Hα-helixtrans-70-35.4175.4-94.194.6000112.9K86 A184 N186 L191 A192K86-L188 HydrophobicContact CD-CD2 4.04Å; K86-L188 VanDerWaalsContact NZ-CD2 3.29Å; A184-L188 WeakPolarHBondContact O-CD1 3.27Å; A184-L188 PolarHBondContact O-N 3.18Å; N186-L188 VanDerWaalsContact C-N 3.27Å; N186-L188 PolarHBondContact O-N 3.47Å; L188-L191 PolarHBondContact O-N 2.92Å; L188-A192 PolarHBondContact O-N 2.78Å
189A55.6Low53.2Low4 Ų484.8 Ų84.83%0.03345%0.451CS..Hα-helixtrans-72.9-37.3-179.400000111.6F33 L185 N186 L191 A192 M193F33-A189 HydrophobicContact CD1-CB 3.69Å; F33-A189 HydrophobicContact CD2-CB 3.49Å; F33-A189 VanDerWaalsContact CD2-CB 3.49Å; F33-A189 HydrophobicContact CE1-CB 3.42Å; F33-A189 VanDerWaalsContact CE1-CB 3.42Å; F33-A189 HydrophobicContact CE2-CB 3.22Å; F33-A189 HydrophobicContact CG-CB 3.71Å; F33-A189 HydrophobicContact CZ-CB 3.18Å; L185-A189 PolarHBondContact O-N 3.18Å; N186-A189 PolarHBondContact O-N 2.83Å; N186-A189 VanDerWaalsContact O-N 3.08Å; A189-L191 VanDerWaalsContact C-N 3.32Å; A189-L191 PolarHBondContact O-N 2.8Å; A189-A192 PolarHBondContact O-N 3.21Å; A189-M193 VanDerWaalsContact O-CG 3.29Å; A189-M193 WeakPolarHBondContact O-CG 3.31Å; A189-M193 PolarHBondContact O-N 3.42Å
190E61.4Low52.7Low115 Ų11584.8 Ų84.854%0.53745%0.45SS..Hα-helixtrans-57.8-44.5170.6-73.8-175.3173.500111.8N186 A192 M193 D194N186-E190 PolarHBondContact O-N 2.94Å; E190-A192 PolarHBondContact O-N 3.09Å; E190-M193 PolarHBondContact O-N 3.16Å; E190-M193 VanDerWaalsContact O-N 3.13Å; E190-D194 PolarHBondContact O-N 2.78Å
191L58.7Low51.8Low74 Ų7488.7 Ų88.739%0.38747%0.472SS..Hα-helixtrans-67.6-34.5178.5-68.1167.2000112.8A157 S187 L188 A189 M193 S195A157-L191 HydrophobicContact CB-CB 4.46Å; A157-L191 HydrophobicContact CB-CD1 3.37Å; A157-L191 HydrophobicContact CB-CG 4.44Å; S187-L191 WeakPolarHBondContact O-CD1 3.36Å; S187-L191 WeakPolarHBondContact O-CG 3.41Å; S187-L191 PolarHBondContact O-N 2.89Å; L188-L191 PolarHBondContact O-N 2.92Å; A189-L191 VanDerWaalsContact C-N 3.32Å; A189-L191 PolarHBondContact O-N 2.8Å; L191-M193 VanDerWaalsContact C-N 3.3Å; L191-S195 PolarHBondContact O-OG 2.9Å
192A50.7Low50.3Low47 Ų4791.2 Ų91.239%0.38848%0.478SS..Hα-helixtrans-67.3-32172.600000112.2I98 L188 A189 E190I98-A192 HydrophobicContact CD1-CB 3.81Å; L188-A192 PolarHBondContact O-N 2.78Å; A189-A192 PolarHBondContact O-N 3.21Å; E190-A192 PolarHBondContact O-N 3.09Å
193M52.6Low49.4Very low51 Ų5192.6 Ų92.625%0.25149%0.485SS..Hα-helixtrans-77.4-29.3179.1-74.3-61.8-158.400114.3N35 I98 A189 E190 L191 S195 R196N35-M193 VanDerWaalsContact CG-CE 3.48Å; N35-M193 WeakPolarHBondContact ND2-CE 3.37Å; N35-M193 WeakPolarHBondContact OD1-CE 3.2Å; I98-M193 HydrophobicContact CD1-CE 4.4Å; I98-M193 HydrophobicContact CD1-SD 4.45Å; A189-M193 VanDerWaalsContact O-CG 3.29Å; A189-M193 WeakPolarHBondContact O-CG 3.31Å; A189-M193 PolarHBondContact O-N 3.42Å; E190-M193 PolarHBondContact O-N 3.16Å; E190-M193 VanDerWaalsContact O-N 3.13Å; L191-M193 VanDerWaalsContact C-N 3.3Å; M193-S195 VanDerWaalsContact C-N 3.27Å; M193-R196 PolarHBondContact O-NE 3.01Å
194D53.8Low48.5Very low145 Ų14593 Ų9378%0.77549%0.491SS*.Hα-helixtrans-79.3-13.8-179.3-136.916.6000112.6E190 R196E190-D194 PolarHBondContact O-N 2.78Å; D194-R196 PolarHBondContact O-N 2.82Å
195S46.5Very low47.8Very low48 Ų4898.3 Ų98.334%0.33652%0.518SS..THydrogen-bonded Turntrans-83.723-178.5-54.70000114.1L153 L191 M193L153-S195 WeakPolarHBondContact CD1-OG 3.4Å; L153-S195 WeakPolarHBondContact CD2-OG 3.36Å; L191-S195 PolarHBondContact O-OG 2.9Å; M193-S195 VanDerWaalsContact C-N 3.27Å
196R38.9Very low46.9Very low183 Ų183103.7 Ų103.769%0.69154%0.542SS*.  trans-67.2129.9175.8-67.5-178.5-146-165.23.1109.9M193 D194 K198M193-R196 PolarHBondContact O-NE 3.01Å; D194-R196 PolarHBondContact O-N 2.82Å; R196-K198 PolarHBondContact O-N 2.85Å; R196-K198 VanDerWaalsContact O-N 3.13Å
197P36.9Very low45.9Very low115 Ų115108.7 Ų108.775%0.74757%0.569SS**  trans-61.3117.6161.7-12.526.5000107.9E199P197-E199 PolarHBondContact O-N 2.88Å
198K38.6Very low44.7Very low207 Ų207113.1 Ų113.190%0.959%0.585SS**  trans-77.379.3163.6-70178.2-177.5171.60107R196R196-K198 PolarHBondContact O-N 2.85Å; R196-K198 VanDerWaalsContact O-N 3.13Å
199E35.9Very low43.8Very low174 Ų174121 Ų12181%0.81362%0.619SS**PPolyproline II helixtrans-74.3134.3169.8-90.8-169.8152.800110.3P197P197-E199 PolarHBondContact O-N 2.88Å
200P40.4Very low42.9Very low118 Ų118126.9 Ų126.977%0.76665%0.654SS**PPolyproline II helixtrans-71.7129.7177.228.9-30.7000109.7H202P200-H202 PolarHBondContact O-N 2.9Å; P200-H202 VanDerWaalsContact O-N 3.08Å
201L31.1Very low41.8Very low145 Ų145126 Ų12676%0.75966%0.66SS**PPolyproline II helixtrans-51.5117.4169.9-84.8159.7000109.8
202H34.6Very low41Very low129 Ų129131.4 Ų131.460%0.59768%0.683SS**PPolyproline II helixtrans-62.8137178.3-161.4-95.6000110.2P200 L204 L205P200-H202 PolarHBondContact O-N 2.9Å; P200-H202 VanDerWaalsContact O-N 3.08Å; H202-L204 PolarHBondContact O-N 3.47Å; H202-L205 PolarHBondContact O-N 3.32Å
203P40.8Very low40.2Very low104 Ų104133 Ų13368%0.67571%0.705SS**THydrogen-bonded Turntrans-60.8-5-172.4-23.833000116.5
204L44Very low39.5Very low139 Ų139135.9 Ų135.973%0.72873%0.73SS**THydrogen-bonded Turntrans-96.7-7.5-176.1-69.7174.6000114.6H202H202-L204 PolarHBondContact O-N 3.47Å
205L45.4Very low38.7Very low114 Ų114139 Ų13960%0.59774%0.736SS**SBendtrans-96.4-4174.2-69.6176.6000113.9H202 N207 M208H202-L205 PolarHBondContact O-N 3.32Å; L205-N207 PolarHBondContact O-N 3.24Å; L205-M208 HydrophobicContact CD2-CE 3.76Å
206Q39.5Very low38.3Very low147 Ų147142.8 Ų142.869%0.68776%0.76SS**THydrogen-bonded Turntrans-70-13.5178.5-158.28129.100113.4
207N41.6Very low38.3Very low135 Ų135137.9 Ų137.972%0.72277%0.767SS**THydrogen-bonded Turntrans-107.114.3-168.9-69.8-7.1000115.7L205L205-N207 PolarHBondContact O-N 3.24Å
208M38Very low38.3Very low146 Ų146138.3 Ų138.372%0.71977%0.772SS**SBendtrans-99.83.3176.7-91.1-167.3-66.200115.9L205L205-M208 HydrophobicContact CD2-CE 3.76Å
209F35.7Very low38.3Very low202 Ų202134.2 Ų134.289%0.88677%0.767SS**SBendtrans-12265173.6-81.9-85.9000112.2
210V36.4Very low38.4Very low127 Ų127132 Ų13277%0.7777%0.77SS**  trans-147.7106.1158.9-174.10000107.8
211S38.7Very low38.3Very low96 Ų96129.9 Ų129.967%0.67177%0.77SS**  trans173.1122.9143.9-87.60000114
212H40.2Very low38.6Very low188 Ų188127.6 Ų127.687%0.8777%0.772SS**  trans79.9112.7152.4-54.9-57.5000120.3
213G35.1Very low38.9Very low81 Ų81126.4 Ų126.484%0.83578%0.779SS**  trans167.747161.500000115.2
214S38.1Very low38.7Very low111 Ų111129 Ų12978%0.77678%0.781SS**  trans-80.6124.4170.2-55.90000110.7
215F36.7Very low38.5Very low209 Ų209127.9 Ų127.992%0.91778%0.776SS**  trans-150.9126.4150.6-93.7-75.8000109.5
216P38.3Very low38.2Very low129 Ų129129.2 Ų129.284%0.83878%0.784SS**  trans-103.3151174.236.5-27.7000112
217G38Very low38.3Very low80 Ų80126.4 Ų126.483%0.82579%0.786SS**  trans-173.5118.817100000112.9
218S38Very low38.3Very low123 Ų123125.5 Ų125.586%0.8679%0.785SS**  trans-62.1167.2-166.5-71.80000119.2
219P38.5Very low38.1Very low122 Ų122125 Ų12579%0.79279%0.785SS**  trans-102.2161.5-178.539.4-31.6000114.5
220S38Very low38.1Very low126 Ų126122.7 Ų122.788%0.88178%0.782SS**  trans-173.4138.1157.956.50000113.9
221G38.4Very low38Very low74 Ų74125 Ų12576%0.76379%0.789SS**  trans119.489.715800000115.4
222A37.2Very low37.6Very low98 Ų98129.1 Ų129.181%0.8180%0.796SS**  79.2108.498.200000114.2
223S39.8Very low37Very low104 Ų104128.1 Ų128.173%0.72779%0.791SS**  61.7133.2106.7-130.50000113.3
224E37.3Very low36.9Very low157 Ų157132.7 Ų132.773%0.73479%0.791SS**  cis-179.8168.717.2-142.2168.815900106.9
225N39.6Very low36.7Very low117 Ų117136.3 Ų136.363%0.62679%0.792SS**  trans95.1107154.3-53.7-22.8000120.7
226D39.5Very low36.2Very low141 Ų141131.1 Ų131.175%0.75479%0.789SS**  64.2110.6120.4-54.7-27.3000119.5
227A40.8Very low36Very low88 Ų88131.6 Ų131.673%0.72779%0.789SS**  71.6132.29900000112.1
228V41.3Very low35.6Very low117 Ų117135.9 Ų135.971%0.70979%0.785SS**  cis-173.4161.545.3-149.40000108
229N34.7Very low35.5Very low135 Ų135137.5 Ų137.572%0.72278%0.784SS**  trans85.799.7146.8-65-29.4000121.9
230N35.3Very low35.1Very low153 Ų153139.3 Ų139.382%0.81878%0.782SS**  6.7137.2121.8-61.1-36.1000118
231L34.5Very low35Very low175 Ų175139.9 Ų139.992%0.91678%0.781SS**  -178.9141.2107.7-168.858.4000112.3
232F29.9Very low34.7Very low184 Ų184145.9 Ų145.981%0.80779%0.786SS**  trans-88.1161.5-177.9-130.1-97000111.9
233Q28.5Very low34.6Very low166 Ų166148.4 Ų148.478%0.77679%0.791SS**  trans78.6125.5161.9-58.8-173.73.300119.2
234E33.2Very low34.4Very low178 Ų178147.3 Ų147.383%0.83279%0.788SS**  -173.5106.1113.2-158.6160.8-170.200109.4
235K33.3Very low34.1Very low186 Ų186146.5 Ų146.581%0.80979%0.794SS**  58.2130103.9-78.2-177.3176.1175.50117.6
236A26.7Very low33.8Very low101 Ų101145.6 Ų145.684%0.83580%0.802SS**  trans-74.5148.8172.700000113.1
237T33.5Very low33.3Very low139 Ų139147 Ų14785%0.85381%0.81SS**  trans-143.6120.6159.5-120000109.6
238F29.5Very low33.1Very low169 Ų169149.5 Ų149.574%0.74182%0.816SS**  trans-92.6137.8173.5-171.2-95.7000108.3E240F238-E240 HydrophobicContact CE1-CG 3.77Å; F238-E240 HydrophobicContact CZ-CG 4.2Å
239N36.1Very low32.5Very low157 Ų157154.6 Ų154.684%0.8482%0.822SS**  trans-148.5117.4162.3-93.9-23.1000110
240E29.7Very low32.5Very low160 Ų160152.5 Ų152.575%0.74882%0.824SS**  trans-69.7137.1165.7-85.8172.9140.200111.1F238F238-E240 HydrophobicContact CE1-CG 3.77Å; F238-E240 HydrophobicContact CZ-CG 4.2Å
241T35.3Very low32.5Very low138 Ų138153.4 Ų153.485%0.84782%0.821SS**  trans-157.9124.5144-10.20000113
242K34Very low32.4Very low201 Ų201152.8 Ų152.887%0.87482%0.818SS**  trans-20.9132.5167.7-67.8169.2172.9176.10118.4
243V34.5Very low32.5Very low151 Ų151155.1 Ų155.192%0.91582%0.822SS**  trans-143.5143.4143-179.60000110.7
244A36Very low32.7Very low81 Ų81156.9 Ų156.967%0.66983%0.827SS**  trans-76.9159-169.800000116.1
245T29.8Very low32.8Very low140 Ų140153.2 Ų153.286%0.85982%0.819SS**  trans3.6116.4153.451.30000119.3
246A34.6Very low32.6Very low97 Ų97153.6 Ų153.680%0.80282%0.821SS**  trans-155.6125.6143.600000110.9V248A246-V248 PolarHBondContact O-N 3.06Å
247N29.3Very low32.8Very low171 Ų171155.4 Ų155.491%0.91482%0.816SS**  trans-54.5120.6170.6-87.8-40.6000111.8
248V36.3Very low32.7Very low141 Ų141156.2 Ų156.286%0.85581%0.811SS**  trans-141120.6149.9-176.40000110.6A246A246-V248 PolarHBondContact O-N 3.06Å
249R27.9Very low32.9Very low223 Ų223156 Ų15684%0.84282%0.817SS**  trans-79.6115.1176.7176.5-177.2-169.8172.53.8109.8
250A34.1Very low32.4Very low91 Ų91157.4 Ų157.475%0.75281%0.811SS**  trans-130101.1164.300000107.2
251K36.5Very low32.6Very low173 Ų173157.3 Ų157.375%0.75281%0.814SS**  45.882.174.9-68.7-171.2-178.7177.70113
252N32.5Very low32.2Very low161 Ų161154.6 Ų154.686%0.86180%0.801SS**  trans-131.2101.2142.5-87.2-23000107.7
253R31.9Very low32.2Very low233 Ų233152.5 Ų152.588%0.87980%0.799SS**  trans-125.1110.2178.5-162.7-176.3-162.2178.84.8104.4
254F33.2Very low32.2Very low203 Ų203149.7 Ų149.789%0.8979%0.786SS**  trans-95124.6166.1-75.1-77.2000108.6
255P33.6Very low32.2Very low102 Ų102156 Ų15666%0.66279%0.794SS**  trans-127.2136.6161.336-22.2000111.8
256F28.9Very low32.5Very low193 Ų193153.9 Ų153.985%0.84679%0.785SS**  trans164.6128.2150.4-116.6-125.5000106.1
257N32.7Very low32.2Very low139 Ų139156.9 Ų156.974%0.74379%0.786SS**  -155.5142.850.9-120.7-28.7000111.7
258Q30.3Very low32.4Very low156 Ų156153.6 Ų153.673%0.72978%0.777SS**  trans-115.2125.5179.8-176.4176.821.800107.4
259L33.1Very low32.4Very low166 Ų166156.3 Ų156.387%0.86978%0.78SS**  trans-14199.6158.5-75.9172000104.9
260Y27.5Very low32.8Very low186 Ų186154.1 Ų154.173%0.72978%0.779SS**  48.5124.995-88.4-84.9000111.2
261I32.6Very low33.1Very low158 Ų158157.5 Ų157.581%0.8178%0.78SS**  -156.6136.256.3-71.8172.9000109.4
262S28.2Very low33.1Very low81 Ų81159.5 Ų159.557%0.56678%0.783SS**  trans-77.4141.7161.3490000110.3
263D33.9Very low33.5Very low156 Ų156158.9 Ų158.983%0.83478%0.778SS**  177.1149.7119.5-83.1-11.1000112.1
264S33.9Very low34.1Very low92 Ų92157.5 Ų157.564%0.64378%0.779SS**  trans-74.2150.8-172.736.50000114.1
265Y35.2Very low34.2Very low213 Ų213158 Ų15884%0.83578%0.78SS**  159.2134.1116.9-106-93.8000113.7
266S36Very low34.4Very low96 Ų96158 Ų15867%0.67178%0.783SS**  trans58.5107.9146.150.70000123
267I29.4Very low34.9Very low160 Ų160154.8 Ų154.882%0.82178%0.781SS**  36.8133.9118.6-61.3176.3000120.5
268S32.2Very low35.3Very low103 Ų103154.6 Ų154.672%0.7279%0.786SS**  trans78.4105.1156.858.90000118.2
269Q36.2Very low35.6Very low198 Ų198156.2 Ų156.293%0.92579%0.785SS**  -165.6136.7108.5-102.8176.7-0.100111.8
270E37.5Very low36.1Very low177 Ų177152.8 Ų152.883%0.82778%0.775SS**  trans-56.6159.4171.7-114.5163.4155.200113.5
271E39.9Very low37.3Very low162 Ų162150.3 Ų150.376%0.75777%0.769SS**  trans69.698.3154.5-69.8-170.6141.100118.8
272R36.7Very low38.2Very low215 Ų215150 Ų15081%0.81177%0.77SS**  164.3127.7105.5-93.4168.6-179.4-167.4-0.3114.1
273L41.1Very low40.2Very low147 Ų147151.6 Ų151.677%0.7777%0.77SS**  trans70.895.3136.9-61162.2000118.8
274K43.1Very low42.4Very low205 Ų205150.6 Ų150.689%0.89176%0.761SS**  176.1100.7107-92.5167.3-177-179.60110.3S276K274-S276 PolarHBondContact O-N 3.1Å
275K36.8Very low44.6Very low213 Ų213151.4 Ų151.493%0.92676%0.761SS**  trans-65.9115.7165-85.9175.7172.2175.70108.9
276S36.7Very low46.5Very low101 Ų101144.2 Ų144.271%0.70674%0.735SS**  trans-78.8141.5151.337.60000108.4K274 T278K274-S276 PolarHBondContact O-N 3.1Å; S276-T278 PolarHBondContact O-N 2.91Å; S276-T278 VanDerWaalsContact O-N 3.11Å
277P40.4Very low48.1Very low127 Ų127142.4 Ų142.483%0.82572%0.722SS**  trans-71.3111-178.528.5-31000109R279P277-R279 PolarHBondContact O-N 3.17Å; P277-R279 VanDerWaalsContact O-N 3.12Å
278T40.1Very low50.6Low135 Ų135140.4 Ų140.483%0.82871%0.708SS**  trans-58.7113.5162.59.30000107.5S276 S280S276-T278 PolarHBondContact O-N 2.91Å; S276-T278 VanDerWaalsContact O-N 3.11Å; T278-S280 PolarHBondContact O-N 2.96Å
279R37.6Very low53Low190 Ų190142 Ų14272%0.71770%0.698SS**  trans-60.889.5172-162.1177.7-172.6-170.62.7107.2P277 H281P277-R279 PolarHBondContact O-N 3.17Å; P277-R279 VanDerWaalsContact O-N 3.12Å; R279-H281 PolarHBondContact O-N 2.87Å; R279-H281 PolarHBondContact O-ND1 3Å
280S43Very low54.9Low93 Ų93140.1 Ų140.165%0.6568%0.682SS**  trans-70.296.2175.549.10000107.3T278 N282T278-S280 PolarHBondContact O-N 2.96Å; S280-N282 VanDerWaalsContact C-N 3.27Å; S280-N282 PolarHBondContact O-N 2.92Å
281H51.8Low56.8Low134 Ų134134.3 Ų134.362%0.6267%0.665SS**  trans-69.491.3172.2-65.375.8000107.1R279 I283R279-H281 PolarHBondContact O-N 2.87Å; R279-H281 PolarHBondContact O-ND1 3Å; H281-I283 HydrophobicContact CB-CG1 4.44Å; H281-I283 PolarHBondContact O-N 3.32Å
282N52.9Low59.1Low153 Ų153129.2 Ų129.282%0.81864%0.642SS**  trans-71.482169.8-79.5-23.5000107.9S280 E284S280-N282 VanDerWaalsContact C-N 3.27Å; S280-N282 PolarHBondContact O-N 2.92Å; N282-E284 PolarHBondContact O-N 3.03Å
283I69.6Low61.4Low113 Ų113123.7 Ų123.758%0.57963%0.629SS**  trans-73.6120.6168.5-58172.3000106.5H281 V285 C287 F288H281-I283 HydrophobicContact CB-CG1 4.44Å; H281-I283 PolarHBondContact O-N 3.32Å; I283-V285 PolarHBondContact O-N 2.96Å; I283-C287 HydrophobicContact CG2-CB 4.17Å; I283-F288 HydrophobicContact CG2-CB 3.92Å
284E81.1Confident63Low136 Ų136118 Ų11864%0.63661%0.606SS**  trans-57.3136.2174.8-168.1179.3-177.100110N282 E286 C287 F288N282-E284 PolarHBondContact O-N 3.03Å; E284-E286 PolarHBondContact O-N 3.23Å; E284-E286 VanDerWaalsContact O-N 3.09Å; E284-C287 HydrophobicContact CB-CB 4.22Å; E284-C287 WeakPolarHBondContact O-CA 3.19Å; E284-C287 WeakPolarHBondContact O-CB 3.11Å; E284-C287 PolarHBondContact O-N 3.3Å; E284-F288 PolarHBondContact O-N 3.11Å
285V79.7Confident64.8Low108 Ų108111.8 Ų111.866%0.65558%0.582SS**Hα-helixtrans-53.4-37.6-174.6175.50000111.7I283 F288 R289I283-V285 PolarHBondContact O-N 2.96Å; V285-F288 PolarHBondContact O-N 3.3Å; V285-R289 WeakPolarHBondContact O-CB 3.48Å; V285-R289 PolarHBondContact O-N 3.45Å
286E74.7Confident67.1Low62 Ų62104 Ų10429%0.2955%0.552SS.*Hα-helixtrans-73.5-35.9-179.8-17158.3-16000112.5E284 R289 R290E284-E286 PolarHBondContact O-N 3.23Å; E284-E286 VanDerWaalsContact O-N 3.09Å; E286-R289 PolarHBondContact O-N 3.47Å; E286-R289 IonicContact OE2-CZ 3.99Å; E286-R289 IonicContact OE2-NH1 3Å; E286-R289 PolarHBondContact OE2-NH1 3.01Å; E286-R290 VanDerWaalsContact CG-NH2 3.35Å; E286-R290 WeakPolarHBondContact O-CG 3.4Å; E286-R290 PolarHBondContact O-N 3.09Å; E286-R290 IonicContact OE1-CZ 3.66Å; E286-R290 IonicContact OE1-NE 3.53Å; E286-R290 IonicContact OE1-NH2 3.32Å; E286-R290 PolarHBondContact OE1-NH2 2.9Å
287C69.4Low69.2Low59 Ų59107.3 Ų107.340%0.39955%0.554SS.*Hα-helixtrans-62.6-44.5170.9-71.30000111.1I283 E284 R290 A291I283-C287 HydrophobicContact CG2-CB 4.17Å; E284-C287 HydrophobicContact CB-CB 4.22Å; E284-C287 WeakPolarHBondContact O-CA 3.19Å; E284-C287 WeakPolarHBondContact O-CB 3.11Å; E284-C287 PolarHBondContact O-N 3.3Å; C287-R290 PolarHBondContact O-N 3.27Å; C287-A291 WeakPolarHBondContact O-CB 3.31Å; C287-A291 PolarHBondContact O-N 3.03Å
288F81.6Confident71Confident117 Ų117107.4 Ų107.451%0.51354%0.543SS..Hα-helixtrans-62.2-44.3174.4179-105.6000111.9I283 E284 V285 R290 A291 L292I283-F288 HydrophobicContact CG2-CB 3.92Å; E284-F288 PolarHBondContact O-N 3.11Å; V285-F288 PolarHBondContact O-N 3.3Å; F288-R290 PolarHBondContact O-N 2.93Å; F288-A291 PolarHBondContact O-N 3.15Å; F288-L292 HydrophobicContact CE1-CD2 4.3Å; F288-L292 WeakPolarHBondContact O-CB 3.46Å; F288-L292 PolarHBondContact O-N 3.02Å
289R83.4Confident73Confident138 Ų138102.4 Ų102.452%0.52151%0.511SS..Hα-helixtrans-59.6-44.4177.6-178.8-176.6-84.6147.1-10.4111.6V285 E286 L292 L293V285-R289 WeakPolarHBondContact O-CB 3.48Å; V285-R289 PolarHBondContact O-N 3.45Å; E286-R289 PolarHBondContact O-N 3.47Å; E286-R289 IonicContact OE2-CZ 3.99Å; E286-R289 IonicContact OE2-NH1 3Å; E286-R289 PolarHBondContact OE2-NH1 3.01Å; R289-L292 PolarHBondContact O-N 3.46Å; R289-L293 HydrophobicContact CG-CD1 4.17Å; R289-L293 WeakPolarHBondContact O-CB 3.31Å; R289-L293 WeakPolarHBondContact O-CG 3.41Å; R289-L293 PolarHBondContact O-N 2.95Å
290R75.9Confident75.2Confident157 Ų15798.4 Ų98.459%0.59250%0.504SS*.Hα-helixtrans-64.6-44.3177.4-72.4-179.4-169.4131.56.6112.1E286 C287 F288 L292 L293 G294E286-R290 VanDerWaalsContact CG-NH2 3.35Å; E286-R290 WeakPolarHBondContact O-CG 3.4Å; E286-R290 PolarHBondContact O-N 3.09Å; E286-R290 IonicContact OE1-CZ 3.66Å; E286-R290 IonicContact OE1-NE 3.53Å; E286-R290 IonicContact OE1-NH2 3.32Å; E286-R290 PolarHBondContact OE1-NH2 2.9Å; C287-R290 PolarHBondContact O-N 3.27Å; F288-R290 PolarHBondContact O-N 2.93Å; R290-L292 VanDerWaalsContact C-N 3.32Å; R290-L292 PolarHBondContact O-N 3.29Å; R290-L293 PolarHBondContact O-N 3.21Å; R290-G294 PolarHBondContact O-N 2.92Å
291A78.1Confident76.9Confident55 Ų5595.1 Ų95.146%0.45548%0.479SS..Hα-helixtrans-60-43.9175.600000111.5C287 F288 G294 L295C287-A291 WeakPolarHBondContact O-CB 3.31Å; C287-A291 PolarHBondContact O-N 3.03Å; F288-A291 PolarHBondContact O-N 3.15Å; A291-G294 PolarHBondContact O-N 2.96Å; A291-L295 PolarHBondContact O-N 3.43Å
292L87.8Confident78.5Confident55 Ų5591.4 Ų91.429%0.28846%0.461SS..Hα-helixtrans-64.1-42.5177.5-173.365.8000112F288 R289 R290 G294 L295 V296 F302F288-L292 HydrophobicContact CE1-CD2 4.3Å; F288-L292 WeakPolarHBondContact O-CB 3.46Å; F288-L292 PolarHBondContact O-N 3.02Å; R289-L292 PolarHBondContact O-N 3.46Å; R290-L292 VanDerWaalsContact C-N 3.32Å; R290-L292 PolarHBondContact O-N 3.29Å; L292-G294 VanDerWaalsContact C-N 3.31Å; L292-G294 PolarHBondContact O-N 3.29Å; L292-L295 PolarHBondContact O-N 2.96Å; L292-V296 HydrophobicContact CD1-CG2 4.48Å; L292-V296 HydrophobicContact CG-CG2 4.49Å; L292-V296 WeakPolarHBondContact O-CB 3.21Å; L292-V296 VanDerWaalsContact O-CG2 3.28Å; L292-V296 WeakPolarHBondContact O-CG2 3.49Å; L292-V296 PolarHBondContact O-N 2.97Å; L292-F302 HydrophobicContact CD1-CE1 3.84Å; L292-F302 HydrophobicContact CD1-CZ 3.77Å
293L84.1Confident80.1Confident100 Ų10086.4 Ų86.452%0.52444%0.438SS..Hα-helixtrans-63-36.8175.7-76.3170.1000112.4R289 R290 K297R289-L293 HydrophobicContact CG-CD1 4.17Å; R289-L293 WeakPolarHBondContact O-CB 3.31Å; R289-L293 WeakPolarHBondContact O-CG 3.41Å; R289-L293 PolarHBondContact O-N 2.95Å; R290-L293 PolarHBondContact O-N 3.21Å; L293-K297 WeakPolarHBondContact O-CB 3.15Å; L293-K297 VanDerWaalsContact O-CG 3.31Å; L293-K297 WeakPolarHBondContact O-CG 3.5Å; L293-K297 PolarHBondContact O-N 2.91Å
294G76.1Confident81Confident28 Ų2886.8 Ų86.829%0.28944%0.437SS..Hα-helixtrans-63.4-5217300000111.6R290 A291 L292 V296 K297 E298R290-G294 PolarHBondContact O-N 2.92Å; A291-G294 PolarHBondContact O-N 2.96Å; L292-G294 VanDerWaalsContact C-N 3.31Å; L292-G294 PolarHBondContact O-N 3.29Å; G294-V296 VanDerWaalsContact C-N 3.34Å; G294-V296 PolarHBondContact O-N 3.19Å; G294-K297 PolarHBondContact O-N 2.89Å; G294-K297 VanDerWaalsContact O-N 3.09Å; G294-E298 WeakPolarHBondContact O-CG 3.37Å; G294-E298 PolarHBondContact O-N 3.21Å
295L80.3Confident81.4Confident73 Ų7384.2 Ų84.238%0.38242%0.424SS..Hα-helixtrans-55.3-46.6177.5-81.4156000112.4A291 L292 K297 E298 D299 F302A291-L295 PolarHBondContact O-N 3.43Å; L292-L295 PolarHBondContact O-N 2.96Å; L295-K297 VanDerWaalsContact C-N 3.28Å; L295-K297 PolarHBondContact O-N 3.35Å; L295-E298 PolarHBondContact O-N 3.47Å; L295-D299 WeakPolarHBondContact O-CB 3.5Å; L295-D299 PolarHBondContact O-N 3.19Å; L295-F302 HydrophobicContact CB-CD1 3.96Å; L295-F302 HydrophobicContact CB-CE1 3.95Å
296V85.1Confident82Confident51 Ų5182.6 Ų82.631%0.30941%0.411SS..Hα-helixtrans-65.6-30.3179.5171.30000112.4L292 G294 F302 L306L292-V296 HydrophobicContact CD1-CG2 4.48Å; L292-V296 HydrophobicContact CG-CG2 4.49Å; L292-V296 WeakPolarHBondContact O-CB 3.21Å; L292-V296 VanDerWaalsContact O-CG2 3.28Å; L292-V296 WeakPolarHBondContact O-CG2 3.49Å; L292-V296 PolarHBondContact O-N 2.97Å; G294-V296 VanDerWaalsContact C-N 3.34Å; G294-V296 PolarHBondContact O-N 3.19Å; V296-F302 HydrophobicContact CG2-CD1 4.3Å; V296-F302 HydrophobicContact CG2-CE1 3.93Å; V296-L306 HydrophobicContact CG2-CD2 3.93Å
297K79.8Confident82.8Confident170 Ų17086.2 Ų86.274%0.73942%0.423SS*.Hα-helixtrans-81.5-30.4178.8-77.8-179177.9-174.80113.6L293 G294 L295L293-K297 WeakPolarHBondContact O-CB 3.15Å; L293-K297 VanDerWaalsContact O-CG 3.31Å; L293-K297 WeakPolarHBondContact O-CG 3.5Å; L293-K297 PolarHBondContact O-N 2.91Å; G294-K297 PolarHBondContact O-N 2.89Å; G294-K297 VanDerWaalsContact O-N 3.09Å; L295-K297 VanDerWaalsContact C-N 3.28Å; L295-K297 PolarHBondContact O-N 3.35Å
298E78.7Confident83.9Confident129 Ų12987.6 Ų87.660%0.60343%0.426SS*.Hα-helixtrans-103.3-33.2-170.4-64.5-173.9166.900113.6G294 L295G294-E298 WeakPolarHBondContact O-CG 3.37Å; G294-E298 PolarHBondContact O-N 3.21Å; L295-E298 PolarHBondContact O-N 3.47Å
299D81.3Confident84.4Confident29 Ų2990.1 Ų90.116%0.15543%0.432CS..  trans-108.995.2-175.1-172.6-15.3000111.1L295 D301 F302 C303L295-D299 WeakPolarHBondContact O-CB 3.5Å; L295-D299 PolarHBondContact O-N 3.19Å; D299-D301 VanDerWaalsContact C-N 3.29Å; D299-D301 PolarHBondContact O-N 3.17Å; D299-D301 PolarHBondContact OD1-N 3.09Å; D299-F302 HydrophobicContact CB-CB 3.81Å; D299-F302 VanDerWaalsContact CG-CB 3.41Å; D299-F302 PolarHBondContact O-N 3.38Å; D299-F302 PolarHBondContact OD1-N 2.86Å; D299-C303 PolarHBondContact O-N 3.37Å
300D84Confident84.8Confident107 Ų10790.3 Ų90.357%0.57243%0.434SS*.Hα-helixtrans-61.6-34.5-179.1-62.2-49.2000112.2K111 C303 E304K111-D300 IonicContact NZ-OD2 2.68Å; K111-D300 PolarHBondContact NZ-OD2 3.46Å; D300-C303 PolarHBondContact O-N 2.95Å; D300-E304 PolarHBondContact O-N 2.9Å
301D79.9Confident85.6Confident23 Ų2387.7 Ų87.712%0.12343%0.427CS..Hα-helixtrans-73.3-40179.2-179.994.5000111.2M4 D299 C303 E304 K305M4-D301 HydrophobicContact CE-CB 3.31Å; M4-D301 HydrophobicContact SD-CB 3.96Å; D299-D301 VanDerWaalsContact C-N 3.29Å; D299-D301 PolarHBondContact O-N 3.17Å; D299-D301 PolarHBondContact OD1-N 3.09Å; D301-C303 VanDerWaalsContact C-N 3.33Å; D301-E304 PolarHBondContact O-N 3.07Å; D301-K305 WeakPolarHBondContact O-CB 3.33Å; D301-K305 WeakPolarHBondContact O-CG 3.47Å; D301-K305 PolarHBondContact O-N 2.92Å; D301-K305 IonicContact OD1-NZ 2.78Å; D301-K305 WeakPolarHBondContact OD2-CD 3.49Å; D301-K305 WeakPolarHBondContact OD2-CE 3.32Å; D301-K305 IonicContact OD2-NZ 2.8Å; D301-K305 PolarHBondContact OD2-NZ 3.3Å
302F85.7Confident86.2Confident57 Ų5789.9 Ų89.925%0.2543%0.428CS..Hα-helixtrans-60-45.5170.8175.6-96.7000111.2L292 L295 V296 D299 E304 K305 L306L292-F302 HydrophobicContact CD1-CE1 3.84Å; L292-F302 HydrophobicContact CD1-CZ 3.77Å; L295-F302 HydrophobicContact CB-CD1 3.96Å; L295-F302 HydrophobicContact CB-CE1 3.95Å; V296-F302 HydrophobicContact CG2-CD1 4.3Å; V296-F302 HydrophobicContact CG2-CE1 3.93Å; D299-F302 HydrophobicContact CB-CB 3.81Å; D299-F302 VanDerWaalsContact CG-CB 3.41Å; D299-F302 PolarHBondContact O-N 3.38Å; D299-F302 PolarHBondContact OD1-N 2.86Å; F302-E304 VanDerWaalsContact C-N 3.35Å; F302-E304 PolarHBondContact O-N 3.43Å; F302-K305 PolarHBondContact O-N 3.02Å; F302-L306 HydrophobicContact CE1-CD2 4Å; F302-L306 HydrophobicContact CZ-CD2 4.37Å; F302-L306 VanDerWaalsContact O-CB 3.3Å; F302-L306 WeakPolarHBondContact O-CB 3.2Å; F302-L306 PolarHBondContact O-N 2.78Å
303C86.2Confident86.2Confident48 Ų4889.6 Ų89.632%0.32443%0.433SS..Hα-helixtrans-59.4-44.8177.6-170.60000111.6D299 D300 D301 L306 Y307D299-C303 PolarHBondContact O-N 3.37Å; D300-C303 PolarHBondContact O-N 2.95Å; D301-C303 VanDerWaalsContact C-N 3.33Å; C303-L306 PolarHBondContact O-N 3.16Å; C303-Y307 WeakPolarHBondContact O-CB 3.47Å; C303-Y307 PolarHBondContact O-N 3.37Å
304E88.8Confident86.4Confident120 Ų12088.9 Ų88.956%0.56143%0.428SS*.Hα-helixtrans-62.1-46.7176.4-171.3178.5-173.800112D300 D301 F302 L306 Y307 L308D300-E304 PolarHBondContact O-N 2.9Å; D301-E304 PolarHBondContact O-N 3.07Å; F302-E304 VanDerWaalsContact C-N 3.35Å; F302-E304 PolarHBondContact O-N 3.43Å; E304-L306 PolarHBondContact O-N 3.27Å; E304-Y307 PolarHBondContact O-N 2.98Å; E304-L308 HydrophobicContact CG-CD1 4.44Å; E304-L308 WeakPolarHBondContact O-CG 3.35Å; E304-L308 PolarHBondContact O-N 2.73Å
305K88.6Confident87Confident82 Ų8291.9 Ų91.936%0.35744%0.438SS..Hα-helixtrans-61.8-42.3176.4-77.3172.1177.1158.50112.2S2 D301 F302 L308 R309S2-K305 PolarHBondContact OG-NZ 3.04Å; D301-K305 WeakPolarHBondContact O-CB 3.33Å; D301-K305 WeakPolarHBondContact O-CG 3.47Å; D301-K305 PolarHBondContact O-N 2.92Å; D301-K305 IonicContact OD1-NZ 2.78Å; D301-K305 WeakPolarHBondContact OD2-CD 3.49Å; D301-K305 WeakPolarHBondContact OD2-CE 3.32Å; D301-K305 IonicContact OD2-NZ 2.8Å; D301-K305 PolarHBondContact OD2-NZ 3.3Å; F302-K305 PolarHBondContact O-N 3.02Å; K305-L308 PolarHBondContact O-N 3.07Å; K305-R309 WeakPolarHBondContact O-CB 3.14Å; K305-R309 PolarHBondContact O-N 2.81Å
306L92.1Very high87.2Confident74 Ų7492.2 Ų92.239%0.38745%0.446SS..Hα-helixtrans-62.9-44.3177.4-177.162.4000110.9V296 F302 C303 E304 R309 Y310V296-L306 HydrophobicContact CG2-CD2 3.93Å; F302-L306 HydrophobicContact CE1-CD2 4Å; F302-L306 HydrophobicContact CZ-CD2 4.37Å; F302-L306 VanDerWaalsContact O-CB 3.3Å; F302-L306 WeakPolarHBondContact O-CB 3.2Å; F302-L306 PolarHBondContact O-N 2.78Å; C303-L306 PolarHBondContact O-N 3.16Å; E304-L306 PolarHBondContact O-N 3.27Å; L306-R309 PolarHBondContact O-N 3.47Å; L306-Y310 WeakPolarHBondContact O-CB 3.38Å; L306-Y310 PolarHBondContact O-N 3.01Å
307Y92.3Very high87.2Confident139 Ų13997.6 Ų97.655%0.54547%0.465SS..Hα-helixtrans-60.7-47.7175.4170.1-107.5000112.2C303 E304 R309 Y310 K311C303-Y307 WeakPolarHBondContact O-CB 3.47Å; C303-Y307 PolarHBondContact O-N 3.37Å; E304-Y307 PolarHBondContact O-N 2.98Å; Y307-R309 VanDerWaalsContact C-N 3.3Å; Y307-R309 PolarHBondContact O-N 3.1Å; Y307-Y310 PolarHBondContact O-N 3.25Å; Y307-K311 WeakPolarHBondContact O-CB 3.41Å; Y307-K311 PolarHBondContact O-N 3.26Å
308L92.8Very high87.1Confident88 Ų8893.7 Ų93.746%0.46147%0.465SS..Hα-helixtrans-60-41.5177.8-72.1173.4000111.6E304 K305 K311 Q312E304-L308 HydrophobicContact CG-CD1 4.44Å; E304-L308 WeakPolarHBondContact O-CG 3.35Å; E304-L308 PolarHBondContact O-N 2.73Å; K305-L308 PolarHBondContact O-N 3.07Å; L308-K311 PolarHBondContact O-N 2.91Å; L308-Q312 WeakPolarHBondContact O-CG 3.48Å; L308-Q312 PolarHBondContact O-N 2.96Å; L308-Q312 VanDerWaalsContact O-N 3.08Å
309R91.5Very high86.8Confident170 Ų17092 Ų9264%0.64247%0.467SS*.Hα-helixtrans-69.1-40.9177.9-169.359.6176.3165.50.4112.3K305 L306 Y307 Q312 A313K305-R309 WeakPolarHBondContact O-CB 3.14Å; K305-R309 PolarHBondContact O-N 2.81Å; L306-R309 PolarHBondContact O-N 3.47Å; Y307-R309 VanDerWaalsContact C-N 3.3Å; Y307-R309 PolarHBondContact O-N 3.1Å; R309-Q312 PolarHBondContact O-N 3.28Å; R309-A313 PolarHBondContact O-N 2.77Å
310Y92.6Very high85.7Confident142 Ų14293.2 Ų93.256%0.55749%0.486SS*.Hα-helixtrans-59.7-46.6174.1173.3-100.5000111.3L306 Y307 Q312 A313 M314L306-Y310 WeakPolarHBondContact O-CB 3.38Å; L306-Y310 PolarHBondContact O-N 3.01Å; Y307-Y310 PolarHBondContact O-N 3.25Å; Y310-Q312 PolarHBondContact O-N 3.03Å; Y310-A313 PolarHBondContact O-N 3.35Å; Y310-A313 VanDerWaalsContact O-N 3.17Å; Y310-M314 HydrophobicContact CD1-CG 4.28Å; Y310-M314 HydrophobicContact CD2-CG 4.33Å; Y310-M314 HydrophobicContact CE1-CG 3.84Å; Y310-M314 HydrophobicContact CE2-CG 3.89Å; Y310-M314 HydrophobicContact CE2-SD 4.11Å; Y310-M314 WeakPolarHBondContact O-CG 3.26Å; Y310-M314 PolarHBondContact O-N 3.1Å
311K91.8Very high84.1Confident101 Ų10197.5 Ų97.544%0.43950%0.5SS..Hα-helixtrans-57.7-48.8176.7-174.9177.5177.3-1790111.8Y307 L308 A313 M314 D315Y307-K311 WeakPolarHBondContact O-CB 3.41Å; Y307-K311 PolarHBondContact O-N 3.26Å; L308-K311 PolarHBondContact O-N 2.91Å; K311-A313 VanDerWaalsContact C-N 3.3Å; K311-A313 PolarHBondContact O-N 3.45Å; K311-M314 PolarHBondContact O-N 3.38Å; K311-M314 VanDerWaalsContact O-N 3.16Å; K311-D315 VanDerWaalsContact O-CG 3.25Å; K311-D315 PolarHBondContact O-N 3.38Å
312Q89.6Confident82.2Confident101 Ų101105.7 Ų105.747%0.47254%0.538SS..Hα-helixtrans-57.5-40.8175.7-73.3174.1-3.800112.9L308 R309 Y310 S316L308-Q312 WeakPolarHBondContact O-CG 3.48Å; L308-Q312 PolarHBondContact O-N 2.96Å; L308-Q312 VanDerWaalsContact O-N 3.08Å; R309-Q312 PolarHBondContact O-N 3.28Å; Y310-Q312 PolarHBondContact O-N 3.03Å; Q312-S316 WeakPolarHBondContact O-CB 3.43Å; Q312-S316 PolarHBondContact O-N 2.83Å; Q312-S316 PolarHBondContact O-OG 3.33Å
313A89.3Confident80Confident50 Ų50112.4 Ų112.441%0.41359%0.592SS.*Hα-helixtrans-67.8-37.7178.700000112R309 Y310 K311 K317R309-A313 PolarHBondContact O-N 2.77Å; Y310-A313 PolarHBondContact O-N 3.35Å; Y310-A313 VanDerWaalsContact O-N 3.17Å; K311-A313 VanDerWaalsContact C-N 3.3Å; K311-A313 PolarHBondContact O-N 3.45Å; A313-K317 WeakPolarHBondContact O-CG 3.35Å; A313-K317 PolarHBondContact O-N 3.33Å; A313-K317 VanDerWaalsContact O-N 3.11Å
314M87.5Confident79.7Confident85 Ų85115.7 Ų115.742%0.41961%0.605SS.*Hα-helixtrans-70.5-41.6175.9-67.5-59.9-7600111.9Y310 K311 S316 K317 A318Y310-M314 HydrophobicContact CD1-CG 4.28Å; Y310-M314 HydrophobicContact CD2-CG 4.33Å; Y310-M314 HydrophobicContact CE1-CG 3.84Å; Y310-M314 HydrophobicContact CE2-CG 3.89Å; Y310-M314 HydrophobicContact CE2-SD 4.11Å; Y310-M314 WeakPolarHBondContact O-CG 3.26Å; Y310-M314 PolarHBondContact O-N 3.1Å; K311-M314 PolarHBondContact O-N 3.38Å; K311-M314 VanDerWaalsContact O-N 3.16Å; M314-S316 VanDerWaalsContact C-N 3.31Å; M314-S316 PolarHBondContact O-N 3.05Å; M314-K317 PolarHBondContact O-N 2.93Å; M314-A318 PolarHBondContact O-N 3.31Å
315D88.7Confident79.2Confident91 Ų91115.4 Ų115.449%0.48761%0.607SS.*Hα-helixtrans-64.2-36.9175.9-66.6-21.1000111.4K311 A318 S319K311-D315 VanDerWaalsContact O-CG 3.25Å; K311-D315 PolarHBondContact O-N 3.38Å; D315-A318 PolarHBondContact O-N 3.37Å; D315-S319 WeakPolarHBondContact O-CB 3.46Å; D315-S319 PolarHBondContact O-N 3.31Å; D315-S319 PolarHBondContact O-OG 3.13Å
316S85.6Confident78.7Confident79 Ų79117.3 Ų117.355%0.55262%0.621SS**Hα-helixtrans-67-37.1174.7-57.80000112.1Q312 M314 S319 G320Q312-S316 WeakPolarHBondContact O-CB 3.43Å; Q312-S316 PolarHBondContact O-N 2.83Å; Q312-S316 PolarHBondContact O-OG 3.33Å; M314-S316 VanDerWaalsContact C-N 3.31Å; M314-S316 PolarHBondContact O-N 3.05Å; S316-S319 PolarHBondContact O-OG 3.32Å; S316-G320 PolarHBondContact O-N 2.92Å
317K83.9Confident77.9Confident165 Ų165119.8 Ų119.872%0.71764%0.635SS**Hα-helixtrans-70-35174-78-177.3177.6-177.20112.6A313 M314A313-K317 WeakPolarHBondContact O-CG 3.35Å; A313-K317 PolarHBondContact O-N 3.33Å; A313-K317 VanDerWaalsContact O-N 3.11Å; M314-K317 PolarHBondContact O-N 2.93Å
318A78.7Confident77Confident88 Ų88118.6 Ų118.673%0.72764%0.641SS**Hα-helixtrans-75.2-31.3178.700000113.2M314 D315M314-A318 PolarHBondContact O-N 3.31Å; D315-A318 PolarHBondContact O-N 3.37Å
319S72.9Confident75.9Confident92 Ų92120.7 Ų120.764%0.64365%0.653SS**Hα-helixtrans-84.1-13.3176.853.50000113.8D315 S316 K321D315-S319 WeakPolarHBondContact O-CB 3.46Å; D315-S319 PolarHBondContact O-N 3.31Å; D315-S319 PolarHBondContact O-OG 3.13Å; S316-S319 PolarHBondContact O-OG 3.32Å; S319-K321 VanDerWaalsContact C-N 3.3Å; S319-K321 PolarHBondContact O-N 3.34Å
320G57.8Low74.8Confident55 Ų55117.1 Ų117.157%0.56765%0.654SS**  trans-71.678.3173.200000112.7S316 Q322S316-G320 PolarHBondContact O-N 2.92Å; G320-Q322 PolarHBondContact O-N 2.76Å
321K50.4Low73.4Confident198 Ų198115.2 Ų115.286%0.86166%0.661SS**  trans-46.6134.2160-79.2177.7174.51770110.2S319 S323S319-K321 VanDerWaalsContact C-N 3.3Å; S319-K321 PolarHBondContact O-N 3.34Å; K321-S323 PolarHBondContact O-N 3.4Å
322Q38.5Very low71.9Confident195 Ų195116.4 Ų116.491%0.91168%0.68SS**  trans-42.2123.2167.9-66.9172.8-17.300111.5G320G320-Q322 PolarHBondContact O-N 2.76Å
323S40.1Very low70.3Confident198 Ų198117.8 Ų117.8100%1.38570%0.698SS**  trans-1460147.9-80.60000107.8K321K321-S323 PolarHBondContact O-N 3.4Å

Retrieved 323 of 323 residues in 74.3 ms (Link to these results)

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