| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.3 | Very low | 66.1 | Low | 144 Ų | 144 | 53.5 Ų | 53.5 | 71% | 0.709 | 29% | 0.287 | S | S | * | . | 0 | 174.8 | 0 | -87.4 | 179.9 | -172.1 | 0 | 0 | 106.9 | A77 E127 | M1-A77 HydrophobicContact SD-CB 3.5Å; M1-A77 VanDerWaalsContact SD-CB 3.5Å; M1-E127 WeakPolarHBondContact CB-OE1 3.44Å; M1-E127 PolarHBondContact N-OE1 3.17Å; M1-E127 PolarHBondContact N-OE2 2.96Å | |||
| 2 | P | 44.5 | Very low | 67.6 | Low | 91 Ų | 91 | 54.8 Ų | 54.8 | 59% | 0.591 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 148.4 | 179.5 | 27.1 | -31.8 | 0 | 0 | 0 | 111.1 | ||
| 3 | P | 54.4 | Low | 68.8 | Low | 36 Ų | 36 | 56.7 Ų | 56.7 | 23% | 0.234 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -58.2 | 164.3 | 162.5 | 30.4 | -35.2 | 0 | 0 | 0 | 108.6 | ||
| 4 | R | 61 | Low | 69.7 | Low | 39 Ų | 39 | 54.7 Ų | 54.7 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 127.6 | -167.5 | -73.3 | -179.7 | -101.8 | 141.2 | 3.3 | 112.9 | S6 E76 R93 E710 | R4-S6 VanDerWaalsContact C-N 3.26Å; R4-S6 PolarHBondContact O-N 2.68Å; R4-E76 HydrophobicContact CG-CG 3.5Å; R4-E76 IonicContact CZ-OE1 3.9Å; R4-E76 IonicContact NE-OE1 3.82Å; R4-E76 PolarHBondContact NE-OE1 2.88Å; R4-E76 IonicContact NH2-OE1 3.64Å; R4-R93 VanDerWaalsContact CZ-NH1 3.28Å; R4-R93 VanDerWaalsContact NH1-NE 3.11Å; R4-E710 IonicContact CZ-OE1 2.83Å; R4-E710 IonicContact CZ-OE2 3.75Å; R4-E710 IonicContact NH1-OE1 3.22Å; R4-E710 PolarHBondContact NH1-OE1 3.26Å; R4-E710 IonicContact NH1-OE2 2.69Å; R4-E710 PolarHBondContact NH1-OE2 2.9Å; R4-E710 IonicContact NH2-OE1 2.76Å; R4-E710 PolarHBondContact NH2-OE1 2.89Å; R4-E710 IonicContact NH2-OE2 3.87Å |
| 5 | P | 58.7 | Low | 70.8 | Confident | 83 Ų | 83 | 53.7 Ų | 53.7 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -68.3 | -23.8 | 178.7 | 23.4 | -33.1 | 0 | 0 | 0 | 113.4 | W11 | P5-W11 HydrophobicContact CB-CH2 4.41Å; P5-W11 HydrophobicContact CB-CZ3 3.91Å; P5-W11 HydrophobicContact CG-CE3 4.03Å; P5-W11 HydrophobicContact CG-CH2 4.04Å; P5-W11 HydrophobicContact CG-CZ3 3.24Å |
| 6 | S | 62.3 | Low | 72.1 | Confident | 36 Ų | 36 | 50.4 Ų | 50.4 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | trans | -158.5 | 162.2 | 171.5 | 61.6 | 0 | 0 | 0 | 0 | 109.3 | R4 G8 | R4-S6 VanDerWaalsContact C-N 3.26Å; R4-S6 PolarHBondContact O-N 2.68Å; S6-G8 VanDerWaalsContact C-N 3.3Å; S6-G8 PolarHBondContact O-N 2.79Å | ||
| 7 | S | 66.3 | Low | 73.2 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 12% | 0.119 | 29% | 0.293 | C | S | . | . | trans | -84.4 | 5.5 | 178.9 | 39.8 | 0 | 0 | 0 | 0 | 114.7 | I713 N714 | S7-I713 WeakPolarHBondContact OG-CG2 3.46Å; S7-N714 VanDerWaalsContact CA-OD1 3.28Å; S7-N714 WeakPolarHBondContact CA-OD1 3.14Å; S7-N714 WeakPolarHBondContact CB-OD1 3.42Å; S7-N714 VanDerWaalsContact O-CG 3.24Å; S7-N714 PolarHBondContact O-ND2 3.34Å; S7-N714 PolarHBondContact O-OD1 2.97Å; S7-N714 VanDerWaalsContact OG-CG 3.27Å; S7-N714 PolarHBondContact OG-OD1 2.75Å | ||
| 8 | G | 77.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -57 | 165.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S6 H14 Q75 N714 | S6-G8 VanDerWaalsContact C-N 3.3Å; S6-G8 PolarHBondContact O-N 2.79Å; G8-H14 WeakPolarHBondContact CA-O 3.35Å; G8-Q75 PolarHBondContact O-NE2 2.96Å; G8-Q75 PolarHBondContact O-OE1 3.41Å; G8-N714 PolarHBondContact N-OD1 3.27Å | ||
| 9 | E | 87.6 | Confident | 75.2 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -76.8 | -31.9 | -177.3 | -67.6 | 171.2 | -161.7 | 0 | 0 | 113.5 | M13 H14 L15 M16 R38 Q75 C90 L94 | E9-M13 PolarHBondContact N-O 3.46Å; E9-H14 PolarHBondContact N-O 2.68Å; E9-L15 WeakPolarHBondContact OE1-CD1 3.33Å; E9-L15 WeakPolarHBondContact OE1-CG 3.48Å; E9-M16 HydrophobicContact CB-CE 4.26Å; E9-M16 HydrophobicContact CB-CG 3.86Å; E9-M16 HydrophobicContact CB-SD 4.49Å; E9-M16 VanDerWaalsContact O-CE 3.31Å; E9-M16 WeakPolarHBondContact O-CE 3.48Å; E9-M16 WeakPolarHBondContact OE2-CB 3.41Å; E9-M16 PolarHBondContact OE2-N 2.94Å; E9-R38 IonicContact OE1-CZ 3.57Å; E9-R38 IonicContact OE1-NE 2.76Å; E9-R38 PolarHBondContact OE1-NE 2.87Å; E9-R38 IonicContact OE1-NH2 3.62Å; E9-R38 PolarHBondContact OE1-NH2 3.48Å; E9-R38 IonicContact OE2-CZ 3.38Å; E9-R38 IonicContact OE2-NE 2.62Å; E9-R38 PolarHBondContact OE2-NE 2.97Å; E9-R38 IonicContact OE2-NH2 2.78Å; E9-Q75 VanDerWaalsContact C-NE2 3.28Å; E9-Q75 PolarHBondContact O-NE2 3.25Å; E9-C90 HydrophobicContact CG-CB 4.28Å; E9-L94 PolarHBondContact O-N 3.39Å |
| 10 | L | 90 | Very high | 76.3 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -135.7 | 152.8 | 177.3 | -164 | 66.6 | 0 | 0 | 0 | 109.4 | G12 M13 M16 I20 L94 | L10-G12 PolarHBondContact O-N 3.19Å; L10-M13 HydrophobicContact CB-CB 4.26Å; L10-M13 HydrophobicContact CD2-SD 4.15Å; L10-M13 PolarHBondContact N-O 3.03Å; L10-M13 CarbonylContact O-C 3.57Å; L10-M13 PolarHBondContact O-N 3.06Å; L10-M16 HydrophobicContact CB-CE 4.06Å; L10-M16 HydrophobicContact CB-CG 4.29Å; L10-M16 HydrophobicContact CD1-CE 4Å; L10-I20 HydrophobicContact CD2-CD1 4.28Å; L10-L94 WeakPolarHBondContact CA-O 3.46Å; L10-L94 HydrophobicContact CD1-CB 3.84Å; L10-L94 WeakPolarHBondContact CD1-O 3.44Å |
| 11 | W | 88.4 | Confident | 77.3 | Confident | 122 Ų | 122 | 53.5 Ų | 53.5 | 46% | 0.462 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 125.1 | 176.4 | 175.5 | -112.1 | 0 | 0 | 0 | 111.6 | P5 M13 L94 F95 | P5-W11 HydrophobicContact CB-CH2 4.41Å; P5-W11 HydrophobicContact CB-CZ3 3.91Å; P5-W11 HydrophobicContact CG-CE3 4.03Å; P5-W11 HydrophobicContact CG-CH2 4.04Å; P5-W11 HydrophobicContact CG-CZ3 3.24Å; W11-M13 PolarHBondContact O-N 3.48Å; W11-L94 PolarHBondContact N-O 3.01Å; W11-F95 HydrophobicContact CB-CD2 3.65Å; W11-F95 HydrophobicContact CB-CE2 3.89Å; W11-F95 HydrophobicContact CB-CG 4.37Å; W11-F95 WeakPolarHBondContact CB-O 3.37Å; W11-F95 AromaticContact CD1-CE2 3.53Å; W11-F95 AromaticContact CD1-CZ 3.93Å; W11-F95 HydrophobicContact CD2-CD2 4.33Å; W11-F95 AromaticContact CD2-CE2 3.89Å; W11-F95 HydrophobicContact CD2-CE2 3.89Å; W11-F95 AromaticContact CG-CD2 3.77Å; W11-F95 HydrophobicContact CG-CD2 3.77Å; W11-F95 AromaticContact CG-CE2 3.47Å; W11-F95 HydrophobicContact CG-CE2 3.47Å; W11-F95 VanDerWaalsContact CG-CE2 3.47Å; W11-F95 HydrophobicContact CG-CZ 4.29Å; W11-F95 AromaticContact NE1-CE2 3.9Å |
| 12 | G | 84.4 | Confident | 80.2 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | L10 | L10-G12 PolarHBondContact O-N 3.19Š|
| 13 | M | 83.6 | Confident | 82.7 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 39% | 0.389 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -133.6 | 114.3 | 175.5 | -60 | -179.1 | 62.6 | 0 | 0 | 110.6 | E9 L10 W11 L15 P17 | E9-M13 PolarHBondContact N-O 3.46Å; L10-M13 HydrophobicContact CB-CB 4.26Å; L10-M13 HydrophobicContact CD2-SD 4.15Å; L10-M13 PolarHBondContact N-O 3.03Å; L10-M13 CarbonylContact O-C 3.57Å; L10-M13 PolarHBondContact O-N 3.06Å; W11-M13 PolarHBondContact O-N 3.48Å; M13-L15 VanDerWaalsContact C-N 3.25Å; M13-L15 PolarHBondContact O-N 3.06Å; M13-P17 HydrophobicContact CE-CG 4.05Å |
| 14 | H | 81 | Confident | 84.8 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 13% | 0.134 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -58.7 | -38.5 | 177.7 | -76.4 | -60.7 | 0 | 0 | 0 | 112.5 | G8 E9 L718 Q721 E722 | G8-H14 WeakPolarHBondContact CA-O 3.35Å; E9-H14 PolarHBondContact N-O 2.68Å; H14-L718 HydrophobicContact CB-CD1 4.29Å; H14-L718 HydrophobicContact CB-CD2 3.44Å; H14-L718 VanDerWaalsContact CB-CD2 3.44Å; H14-L718 HydrophobicContact CB-CG 3.94Å; H14-Q721 PolarHBondContact NE2-OE1 3.19Å; H14-E722 IonicContact CD2-OE1 3.09Å |
| 15 | L | 86.3 | Confident | 86.6 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -136.6 | 131 | -179.8 | -166.6 | 126.6 | 0 | 0 | 0 | 110.6 | E9 M13 | E9-L15 WeakPolarHBondContact OE1-CD1 3.33Å; E9-L15 WeakPolarHBondContact OE1-CG 3.48Å; M13-L15 VanDerWaalsContact C-N 3.25Å; M13-L15 PolarHBondContact O-N 3.06Å |
| 16 | M | 91 | Very high | 88.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -65.8 | 150.3 | 173.8 | -68.5 | 177.8 | -175.6 | 0 | 0 | 110.2 | E9 L10 I20 R38 L89 | E9-M16 HydrophobicContact CB-CE 4.26Å; E9-M16 HydrophobicContact CB-CG 3.86Å; E9-M16 HydrophobicContact CB-SD 4.49Å; E9-M16 VanDerWaalsContact O-CE 3.31Å; E9-M16 WeakPolarHBondContact O-CE 3.48Å; E9-M16 WeakPolarHBondContact OE2-CB 3.41Å; E9-M16 PolarHBondContact OE2-N 2.94Å; L10-M16 HydrophobicContact CB-CE 4.06Å; L10-M16 HydrophobicContact CB-CG 4.29Å; L10-M16 HydrophobicContact CD1-CE 4Å; M16-I20 HydrophobicContact CB-CD1 4.42Å; M16-I20 HydrophobicContact CG-CD1 4.16Å; M16-I20 HydrophobicContact SD-CD1 4.22Å; M16-R38 HydrophobicContact CB-CG 4.05Å; M16-R38 WeakPolarHBondContact O-CD 3.43Å; M16-L89 HydrophobicContact SD-CG 4.36Å | ||
| 17 | P | 90.8 | Very high | 90.1 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | trans | -63 | 158 | 170.1 | -14.5 | 29.6 | 0 | 0 | 0 | 110.6 | M13 S19 R38 | M13-P17 HydrophobicContact CE-CG 4.05Å; P17-S19 PolarHBondContact O-N 2.81Å; P17-S19 VanDerWaalsContact O-N 3.16Å; P17-R38 WeakPolarHBondContact O-CB 3.41Å | ||
| 18 | P | 90.1 | Very high | 91.5 | Very high | 87 Ų | 87 | 42.6 Ų | 42.6 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -56.9 | -32.4 | -178.9 | -26.6 | 35.1 | 0 | 0 | 0 | 114.6 | L37 R38 | P18-L37 WeakPolarHBondContact O-CA 3.48Å; P18-R38 PolarHBondContact O-N 3.11Å |
| 19 | S | 94.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.1 | 169.7 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | P17 E35 C36 | P17-S19 PolarHBondContact O-N 2.81Å; P17-S19 VanDerWaalsContact O-N 3.16Å; S19-E35 VanDerWaalsContact OG-CD 3.32Å; S19-E35 WeakPolarHBondContact OG-CG 3.24Å; S19-E35 PolarHBondContact OG-OE1 2.82Å; S19-C36 WeakPolarHBondContact CA-O 3.42Å |
| 20 | I | 96.6 | Very high | 92.8 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 139.8 | -178.3 | -170.3 | 167.4 | 0 | 0 | 0 | 110.4 | L10 M16 V22 C36 L89 A97 | L10-I20 HydrophobicContact CD2-CD1 4.28Å; M16-I20 HydrophobicContact CB-CD1 4.42Å; M16-I20 HydrophobicContact CG-CD1 4.16Å; M16-I20 HydrophobicContact SD-CD1 4.22Å; I20-V22 HydrophobicContact CG2-CG2 4.11Å; I20-C36 PolarHBondContact N-O 2.89Å; I20-C36 PolarHBondContact O-N 3.5Å; I20-L89 HydrophobicContact CG2-CD2 3.6Å; I20-A97 HydrophobicContact CD1-CB 3.81Å; I20-A97 HydrophobicContact CG1-CB 4.23Å |
| 21 | L | 97.4 | Very high | 93.1 | Very high | 110 Ų | 110 | 51.8 Ų | 51.8 | 58% | 0.576 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126.6 | 171.5 | -63.6 | 178.3 | 0 | 0 | 0 | 109.3 | T33 L34 E35 | L21-T33 HydrophobicContact CB-CG2 3.82Å; L21-T33 HydrophobicContact CD1-CG2 4.41Å; L21-T33 HydrophobicContact CD2-CG2 4.21Å; L21-T33 HydrophobicContact CG-CG2 4.36Å; L21-L34 WeakPolarHBondContact CA-O 3.48Å; L21-E35 HydrophobicContact CD2-CB 3.84Å; L21-E35 HydrophobicContact CD2-CG 4.18Å |
| 22 | V | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.5 | 179.5 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | I20 C24 L34 C36 L89 A97 L99 | I20-V22 HydrophobicContact CG2-CG2 4.11Å; V22-C24 PolarHBondContact O-N 3.37Å; V22-L34 PolarHBondContact N-O 3.47Å; V22-L34 PolarHBondContact O-N 2.98Å; V22-C36 HydrophobicContact CG2-CB 4.07Å; V22-L89 HydrophobicContact CG2-CD1 4.45Å; V22-L89 HydrophobicContact CG2-CD2 3.66Å; V22-A97 WeakPolarHBondContact CA-O 3.07Å; V22-L99 HydrophobicContact CG1-CB 4.49Å; V22-L99 HydrophobicContact CG1-CD1 4.16Å; V22-L99 HydrophobicContact CG1-CG 4Å |
| 23 | D | 98.2 | Very high | 94.1 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 118 | 175.1 | -72.9 | -29.1 | 0 | 0 | 0 | 110.7 | I31 T33 A97 F98 L99 | D23-I31 HydrophobicContact CB-CG2 4.44Å; D23-T33 WeakPolarHBondContact OD1-CB 3.45Å; D23-T33 WeakPolarHBondContact OD1-CG2 3.48Å; D23-T33 PolarHBondContact OD1-OG1 3.37Å; D23-A97 PolarHBondContact N-O 3.44Å; D23-F98 HydrophobicContact CB-CB 4.07Å; D23-F98 CarbonylContact O-C 3.3Å; D23-F98 WeakPolarHBondContact O-CA 3.35Å; D23-F98 VanDerWaalsContact O-CB 3.28Å; D23-F98 WeakPolarHBondContact O-CB 3.28Å; D23-L99 PolarHBondContact O-N 2.82Å |
| 24 | C | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.4 | -179.7 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | V22 I31 L32 L49 L99 | V22-C24 PolarHBondContact O-N 3.37Å; C24-I31 WeakPolarHBondContact O-CA 3.46Å; C24-L32 WeakPolarHBondContact CA-O 3.39Å; C24-L32 HydrophobicContact CB-CB 4.47Å; C24-L32 WeakPolarHBondContact CB-O 3.45Å; C24-L32 PolarHBondContact N-O 3.07Å; C24-L32 PolarHBondContact O-N 2.93Å; C24-L49 HydrophobicContact CB-CD1 3.35Å; C24-L49 HydrophobicContact CB-CD2 3.69Å; C24-L49 HydrophobicContact CB-CG 4.15Å; C24-L99 CarbonylContact C-O 3.58Å; C24-L99 VanDerWaalsContact CA-O 3.24Å; C24-L99 WeakPolarHBondContact CA-O 2.95Å |
| 25 | L | 98.1 | Very high | 95.5 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 105.7 | 179.8 | -52.5 | 173.9 | 0 | 0 | 0 | 109.7 | I31 F98 L99 K100 V101 | L25-I31 HydrophobicContact CD2-CB 4.28Å; L25-I31 HydrophobicContact CD2-CD1 3.7Å; L25-I31 HydrophobicContact CD2-CG1 3.59Å; L25-I31 HydrophobicContact CD2-CG2 3.99Å; L25-F98 HydrophobicContact CD1-CD2 3.9Å; L25-F98 HydrophobicContact CD1-CE2 4.21Å; L25-L99 PolarHBondContact N-O 2.85Å; L25-K100 HydrophobicContact CB-CB 4.04Å; L25-K100 HydrophobicContact CB-CG 4.02Å; L25-K100 HydrophobicContact CD1-CB 4.2Å; L25-V101 PolarHBondContact O-N 3.35Å |
| 26 | L | 97.7 | Very high | 96 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | trans | -82.1 | 153.3 | -177.5 | -67.4 | -179.3 | 0 | 0 | 0 | 112.5 | N28 G29 M30 L32 L49 A53 L62 V101 | L26-N28 WeakPolarHBondContact CB-OD1 3.38Å; L26-N28 PolarHBondContact O-N 3.11Å; L26-G29 PolarHBondContact O-N 3.44Å; L26-M30 HydrophobicContact CB-CB 4.36Å; L26-M30 HydrophobicContact CD1-CB 4.26Å; L26-M30 PolarHBondContact N-O 3.5Å; L26-L32 HydrophobicContact CD1-CD1 3.43Å; L26-L32 VanDerWaalsContact CD1-CD1 3.43Å; L26-L32 HydrophobicContact CD1-CD2 4.26Å; L26-L32 HydrophobicContact CD1-CG 4.44Å; L26-L32 HydrophobicContact CG-CD1 4.09Å; L26-L49 HydrophobicContact CD2-CD1 4.29Å; L26-L49 HydrophobicContact CD2-CD2 4.07Å; L26-L49 HydrophobicContact CD2-CG 4.21Å; L26-A53 HydrophobicContact CD1-CB 3.85Å; L26-L62 HydrophobicContact CB-CD2 4.45Å; L26-L62 HydrophobicContact CD1-CD1 4.12Å; L26-V101 HydrophobicContact CD2-CB 4.43Å; L26-V101 HydrophobicContact CD2-CG2 3.96Å | ||
| 27 | P | 96.8 | Very high | 96.2 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18.9 | -177.4 | 28.4 | -36.5 | 0 | 0 | 0 | 113.3 | G29 L62 Y68 V101 | P27-G29 PolarHBondContact O-N 3.38Å; P27-L62 HydrophobicContact CG-CD2 3.55Å; P27-Y68 HydrophobicContact CB-CE1 4.31Å; P27-Y68 HydrophobicContact CG-CD1 4.47Å; P27-Y68 HydrophobicContact CG-CE1 3.75Å; P27-V101 HydrophobicContact CG-CG1 4.37Å |
| 28 | N | 96.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 6.1 | 173.5 | 67 | -2.9 | 0 | 0 | 0 | 113.7 | L26 M30 L58 L61 L62 | L26-N28 WeakPolarHBondContact CB-OD1 3.38Å; L26-N28 PolarHBondContact O-N 3.11Å; N28-M30 WeakPolarHBondContact OD1-CB 3.35Å; N28-M30 WeakPolarHBondContact OD1-CG 3.28Å; N28-M30 PolarHBondContact OD1-N 2.95Å; N28-L58 HydrophobicContact CB-CB 4.33Å; N28-L58 PolarHBondContact ND2-O 3.46Å; N28-L61 HydrophobicContact CB-CB 4.05Å; N28-L61 HydrophobicContact CB-CD1 4.39Å; N28-L62 HydrophobicContact CB-CD2 3.99Å |
| 29 | G | 95 | Very high | 96.5 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 68% | 0.68 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 88.7 | 0.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L26 P27 | L26-G29 PolarHBondContact O-N 3.44Å; P27-G29 PolarHBondContact O-N 3.38Å |
| 30 | M | 96.7 | Very high | 96.5 | Very high | 45 Ų | 45 | 47.2 Ų | 47.2 | 22% | 0.222 | 27% | 0.267 | C | S | . | . | trans | -81.8 | 148.1 | 178.4 | -63.6 | -62.7 | -61.3 | 0 | 0 | 112.1 | L26 N28 L32 Y56 P57 | L26-M30 HydrophobicContact CB-CB 4.36Å; L26-M30 HydrophobicContact CD1-CB 4.26Å; L26-M30 PolarHBondContact N-O 3.5Å; N28-M30 WeakPolarHBondContact OD1-CB 3.35Å; N28-M30 WeakPolarHBondContact OD1-CG 3.28Å; N28-M30 PolarHBondContact OD1-N 2.95Å; M30-L32 HydrophobicContact CB-CD1 3.89Å; M30-Y56 HydrophobicContact CE-CD1 3.81Å; M30-P57 HydrophobicContact CE-CG 4.29Å; M30-P57 HydrophobicContact SD-CB 4.47Å | ||
| 31 | I | 97.3 | Very high | 96.5 | Very high | 102 Ų | 102 | 48 Ų | 48 | 52% | 0.523 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.3 | 170.4 | -51.5 | -173.6 | 0 | 0 | 0 | 108.2 | D23 C24 L25 | D23-I31 HydrophobicContact CB-CG2 4.44Å; C24-I31 WeakPolarHBondContact O-CA 3.46Å; L25-I31 HydrophobicContact CD2-CB 4.28Å; L25-I31 HydrophobicContact CD2-CD1 3.7Å; L25-I31 HydrophobicContact CD2-CG1 3.59Å; L25-I31 HydrophobicContact CD2-CG2 3.99Å |
| 32 | L | 96.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.9 | 176.7 | -81 | 72.6 | 0 | 0 | 0 | 109.3 | C24 L26 M30 L49 E52 A53 Y56 | C24-L32 WeakPolarHBondContact CA-O 3.39Å; C24-L32 HydrophobicContact CB-CB 4.47Å; C24-L32 WeakPolarHBondContact CB-O 3.45Å; C24-L32 PolarHBondContact N-O 3.07Å; C24-L32 PolarHBondContact O-N 2.93Å; L26-L32 HydrophobicContact CD1-CD1 3.43Å; L26-L32 VanDerWaalsContact CD1-CD1 3.43Å; L26-L32 HydrophobicContact CD1-CD2 4.26Å; L26-L32 HydrophobicContact CD1-CG 4.44Å; L26-L32 HydrophobicContact CG-CD1 4.09Å; M30-L32 HydrophobicContact CB-CD1 3.89Å; L32-L49 HydrophobicContact CB-CD1 4.17Å; L32-L49 HydrophobicContact CD2-CD1 4.13Å; L32-E52 HydrophobicContact CD2-CB 4.49Å; L32-E52 HydrophobicContact CD2-CG 4.46Å; L32-A53 HydrophobicContact CD2-CB 4.14Å; L32-Y56 HydrophobicContact CD1-CD1 3.8Å; L32-Y56 HydrophobicContact CD1-CD2 4.27Å; L32-Y56 HydrophobicContact CD1-CE1 4.12Å; L32-Y56 HydrophobicContact CD1-CG 3.88Å; L32-Y56 HydrophobicContact CD2-CD1 4.47Å; L32-Y56 HydrophobicContact CD2-CD2 3.5Å; L32-Y56 HydrophobicContact CD2-CE2 3.59Å; L32-Y56 HydrophobicContact CD2-CG 3.98Å; L32-Y56 HydrophobicContact CG-CD1 3.88Å; L32-Y56 HydrophobicContact CG-CD2 3.8Å; L32-Y56 HydrophobicContact CG-CE1 3.77Å; L32-Y56 HydrophobicContact CG-CE2 3.7Å; L32-Y56 HydrophobicContact CG-CG 3.9Å |
| 33 | T | 96.7 | Very high | 96.5 | Very high | 75 Ų | 75 | 47 Ų | 47 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.2 | 173 | -51.8 | 0 | 0 | 0 | 0 | 109.1 | L21 D23 | L21-T33 HydrophobicContact CB-CG2 3.82Å; L21-T33 HydrophobicContact CD1-CG2 4.41Å; L21-T33 HydrophobicContact CD2-CG2 4.21Å; L21-T33 HydrophobicContact CG-CG2 4.36Å; D23-T33 WeakPolarHBondContact OD1-CB 3.45Å; D23-T33 WeakPolarHBondContact OD1-CG2 3.48Å; D23-T33 PolarHBondContact OD1-OG1 3.37Å |
| 34 | L | 96.9 | Very high | 96.4 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.8 | -179.8 | -169.5 | 67.2 | 0 | 0 | 0 | 109.9 | L21 V22 C36 V45 E48 L49 | L21-L34 WeakPolarHBondContact CA-O 3.48Å; V22-L34 PolarHBondContact N-O 3.47Å; V22-L34 PolarHBondContact O-N 2.98Å; L34-C36 PolarHBondContact O-N 2.67Å; L34-V45 HydrophobicContact CD2-CG1 4.28Å; L34-E48 HydrophobicContact CD2-CB 4.25Å; L34-L49 HydrophobicContact CD2-CB 4.32Å |
| 35 | E | 97.1 | Very high | 96.4 | Very high | 143 Ų | 143 | 47.4 Ų | 47.4 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 116.5 | 169.1 | -172.3 | 176.4 | -173.6 | 0 | 0 | 109.4 | S19 L21 | S19-E35 VanDerWaalsContact OG-CD 3.32Å; S19-E35 WeakPolarHBondContact OG-CG 3.24Å; S19-E35 PolarHBondContact OG-OE1 2.82Å; L21-E35 HydrophobicContact CD2-CB 3.84Å; L21-E35 HydrophobicContact CD2-CG 4.18Å |
| 36 | C | 96.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.054 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.8 | -174.7 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | S19 I20 V22 L34 L89 | S19-C36 WeakPolarHBondContact CA-O 3.42Å; I20-C36 PolarHBondContact N-O 2.89Å; I20-C36 PolarHBondContact O-N 3.5Å; V22-C36 HydrophobicContact CG2-CB 4.07Å; L34-C36 PolarHBondContact O-N 2.67Å; C36-L89 HydrophobicContact CB-CD2 4.13Å |
| 37 | L | 95.7 | Very high | 96.4 | Very high | 112 Ų | 112 | 49.8 Ų | 49.8 | 59% | 0.586 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 141.2 | 163.6 | -63.1 | 176.1 | 0 | 0 | 0 | 109.5 | P18 E39 A40 | P18-L37 WeakPolarHBondContact O-CA 3.48Å; L37-E39 PolarHBondContact O-N 3.39Å; L37-A40 HydrophobicContact CB-CB 4.3Å; L37-A40 VanDerWaalsContact O-CB 3.24Å; L37-A40 WeakPolarHBondContact O-CB 3.34Å; L37-A40 PolarHBondContact O-N 3.13Å |
| 38 | R | 93.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -39.7 | 175 | 169.9 | -176.1 | 168.9 | -89.1 | -5 | 112.4 | E9 M16 P17 P18 A40 C90 D743 | E9-R38 IonicContact OE1-CZ 3.57Å; E9-R38 IonicContact OE1-NE 2.76Å; E9-R38 PolarHBondContact OE1-NE 2.87Å; E9-R38 IonicContact OE1-NH2 3.62Å; E9-R38 PolarHBondContact OE1-NH2 3.48Å; E9-R38 IonicContact OE2-CZ 3.38Å; E9-R38 IonicContact OE2-NE 2.62Å; E9-R38 PolarHBondContact OE2-NE 2.97Å; E9-R38 IonicContact OE2-NH2 2.78Å; M16-R38 HydrophobicContact CB-CG 4.05Å; M16-R38 WeakPolarHBondContact O-CD 3.43Å; P17-R38 WeakPolarHBondContact O-CB 3.41Å; P18-R38 PolarHBondContact O-N 3.11Å; R38-A40 VanDerWaalsContact C-N 3.35Å; R38-C90 HydrophobicContact CG-CB 3.62Å; R38-C90 PolarHBondContact O-N 2.86Å; R38-C90 VanDerWaalsContact O-N 3.17Å; R38-D743 IonicContact CZ-OD1 2.66Å; R38-D743 IonicContact CZ-OD2 3.12Å; R38-D743 IonicContact NH1-OD1 3.65Å; R38-D743 PolarHBondContact NH1-OD1 3.16Å; R38-D743 IonicContact NH1-OD2 3.62Å; R38-D743 VanDerWaalsContact NH2-CG 3.33Å; R38-D743 IonicContact NH2-OD1 3.66Å; R38-D743 PolarHBondContact NH2-OD1 3.23Å; R38-D743 IonicContact NH2-OD2 3.34Å; R38-D743 PolarHBondContact NH2-OD2 2.96Å |
| 39 | E | 93 | Very high | 96.4 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.2 | -176.3 | -56.1 | 75.2 | -162.4 | 0 | 0 | 113.5 | L37 R88 | L37-E39 PolarHBondContact O-N 3.39Å; E39-R88 WeakPolarHBondContact O-CD 3.49Å; E39-R88 WeakPolarHBondContact O-CG 3.41Å |
| 40 | A | 95.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 13% | 0.132 | 24% | 0.242 | C | C | . | . | trans | -64.5 | 136.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L37 R38 V45 R88 L89 | L37-A40 HydrophobicContact CB-CB 4.3Å; L37-A40 VanDerWaalsContact O-CB 3.24Å; L37-A40 WeakPolarHBondContact O-CB 3.34Å; L37-A40 PolarHBondContact O-N 3.13Å; R38-A40 VanDerWaalsContact C-N 3.35Å; A40-V45 HydrophobicContact CB-CG2 3.9Å; A40-R88 CarbonylContact O-C 3.52Å; A40-R88 VanDerWaalsContact O-CA 3.31Å; A40-R88 WeakPolarHBondContact O-CA 3.45Å; A40-L89 PolarHBondContact O-N 3.14Å | ||
| 41 | T | 96.6 | Very high | 96.5 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 154.8 | 173.3 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | I43 T44 V45 T86 R87 R88 | T41-I43 PolarHBondContact O-N 2.87Å; T41-T44 WeakPolarHBondContact O-CB 3.43Å; T41-T44 PolarHBondContact O-N 2.94Å; T41-T44 PolarHBondContact OG1-N 2.95Å; T41-T44 PolarHBondContact OG1-OG1 3.09Å; T41-T44 VanDerWaalsContact OG1-OG1 3.11Å; T41-V45 WeakPolarHBondContact O-CG2 3.41Å; T41-V45 PolarHBondContact O-N 3.39Å; T41-T86 VanDerWaalsContact CG2-O 3.3Å; T41-T86 WeakPolarHBondContact CG2-O 3.45Å; T41-R87 CarbonylContact C-O 3.58Å; T41-R87 VanDerWaalsContact CA-O 3.28Å; T41-R87 WeakPolarHBondContact CA-O 3.25Å; T41-R88 HydrophobicContact CG2-CG 4.37Å |
| 42 | L | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -31.1 | 176.2 | -72.8 | 179.3 | 0 | 0 | 0 | 112.6 | V45 K46 F70 F82 E85 R87 L92 L99 | L42-V45 PolarHBondContact O-N 3.49Å; L42-K46 VanDerWaalsContact O-CB 3.27Å; L42-K46 WeakPolarHBondContact O-CB 3.18Å; L42-K46 PolarHBondContact O-N 3.21Å; L42-F70 HydrophobicContact CB-CD2 4.22Å; L42-F70 HydrophobicContact CD2-CD2 3.75Å; L42-F70 HydrophobicContact CD2-CE2 4.16Å; L42-F70 HydrophobicContact CG-CD2 4.41Å; L42-F82 HydrophobicContact CD1-CB 3.48Å; L42-F82 VanDerWaalsContact CD1-CB 3.48Å; L42-F82 HydrophobicContact CD1-CD1 4.5Å; L42-F82 HydrophobicContact CD1-CD2 4.32Å; L42-F82 HydrophobicContact CD1-CG 3.88Å; L42-E85 HydrophobicContact CB-CB 3.95Å; L42-E85 HydrophobicContact CB-CG 4.44Å; L42-E85 WeakPolarHBondContact CB-O 3.03Å; L42-E85 PolarHBondContact N-O 3.24Å; L42-R87 PolarHBondContact N-O 3.44Å; L42-L92 HydrophobicContact CD1-CD1 4.02Å; L42-L92 HydrophobicContact CD1-CD2 4Å; L42-L92 HydrophobicContact CD2-CD1 3.62Å; L42-L92 HydrophobicContact CG-CD1 4.01Å; L42-L92 HydrophobicContact CG-CD2 4.46Å; L42-L99 HydrophobicContact CD2-CD1 3.89Å; L42-L99 HydrophobicContact CD2-CD2 4.44Å |
| 43 | I | 97.3 | Very high | 96.5 | Very high | 87 Ų | 87 | 47.1 Ų | 47.1 | 45% | 0.446 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.4 | -51.1 | 170.9 | -67.9 | 163.9 | 0 | 0 | 0 | 110.4 | T41 K46 H47 E85 T86 | T41-I43 PolarHBondContact O-N 2.87Å; I43-K46 PolarHBondContact O-N 3Å; I43-H47 WeakPolarHBondContact O-CB 3.21Å; I43-H47 PolarHBondContact O-N 2.95Å; I43-E85 HydrophobicContact CD1-CB 4.4Å; I43-E85 HydrophobicContact CG1-CB 3.59Å; I43-E85 WeakPolarHBondContact CG1-O 3.43Å; I43-E85 PolarHBondContact N-O 3.09Å; I43-T86 HydrophobicContact CD1-CG2 4.18Å |
| 44 | T | 96.8 | Very high | 96.4 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 45% | 0.454 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -44.9 | -180 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | T41 K46 H47 E48 | T41-T44 WeakPolarHBondContact O-CB 3.43Å; T41-T44 PolarHBondContact O-N 2.94Å; T41-T44 PolarHBondContact OG1-N 2.95Å; T41-T44 PolarHBondContact OG1-OG1 3.09Å; T41-T44 VanDerWaalsContact OG1-OG1 3.11Å; T44-K46 PolarHBondContact O-N 3.26Å; T44-H47 PolarHBondContact O-N 2.71Å; T44-E48 PolarHBondContact O-N 3.36Å |
| 45 | V | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 178 | 175.3 | 0 | 0 | 0 | 0 | 111 | L34 A40 T41 L42 L49 F70 L99 | L34-V45 HydrophobicContact CD2-CG1 4.28Å; A40-V45 HydrophobicContact CB-CG2 3.9Å; T41-V45 WeakPolarHBondContact O-CG2 3.41Å; T41-V45 PolarHBondContact O-N 3.39Å; L42-V45 PolarHBondContact O-N 3.49Å; V45-L49 WeakPolarHBondContact O-CB 3.36Å; V45-L49 PolarHBondContact O-N 2.83Å; V45-F70 HydrophobicContact CB-CE2 4.49Å; V45-F70 HydrophobicContact CG1-CE2 4.27Å; V45-F70 HydrophobicContact CG1-CZ 4.13Å; V45-L99 HydrophobicContact CG1-CD1 3.9Å |
| 46 | K | 97.7 | Very high | 96.2 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 178.1 | -165 | 166.8 | 63.1 | 174.5 | 0 | 111.5 | L42 I43 T44 L49 F50 E65 Y68 F70 E85 | L42-K46 VanDerWaalsContact O-CB 3.27Å; L42-K46 WeakPolarHBondContact O-CB 3.18Å; L42-K46 PolarHBondContact O-N 3.21Å; I43-K46 PolarHBondContact O-N 3Å; T44-K46 PolarHBondContact O-N 3.26Å; K46-L49 WeakPolarHBondContact O-CB 3.47Å; K46-L49 PolarHBondContact O-N 2.88Å; K46-F50 HydrophobicContact CD-CE2 4.41Å; K46-F50 HydrophobicContact CG-CD2 3.83Å; K46-F50 HydrophobicContact CG-CE2 3.86Å; K46-F50 WeakPolarHBondContact O-CD2 3.48Å; K46-F50 PolarHBondContact O-N 3.44Å; K46-E65 WeakPolarHBondContact CE-O 3.46Å; K46-E65 PolarHBondContact NZ-O 2.95Å; K46-Y68 PolarHBondContact NZ-O 2.95Å; K46-F70 HydrophobicContact CB-CE2 3.57Å; K46-F70 HydrophobicContact CB-CZ 3.83Å; K46-F70 HydrophobicContact CD-CE2 4.42Å; K46-F70 HydrophobicContact CG-CE2 4.1Å; K46-F70 HydrophobicContact CG-CZ 4.08Å; K46-E85 WeakPolarHBondContact CE-OE1 3.38Å; K46-E85 VanDerWaalsContact CE-OE2 3.24Å; K46-E85 WeakPolarHBondContact CE-OE2 3.5Å; K46-E85 IonicContact NZ-OE1 3.44Å; K46-E85 PolarHBondContact NZ-OE1 3.03Å; K46-E85 IonicContact NZ-OE2 2.77Å; K46-E85 PolarHBondContact NZ-OE2 3.27Å |
| 47 | H | 97.3 | Very high | 96.2 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 44% | 0.44 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | -179.5 | -172 | 66.8 | 0 | 0 | 0 | 112.3 | I43 T44 L49 F50 K51 E65 | I43-H47 WeakPolarHBondContact O-CB 3.21Å; I43-H47 PolarHBondContact O-N 2.95Å; T44-H47 PolarHBondContact O-N 2.71Å; H47-L49 PolarHBondContact O-N 3.47Å; H47-F50 PolarHBondContact O-N 2.95Å; H47-K51 WeakPolarHBondContact O-CB 3.38Å; H47-K51 PolarHBondContact O-N 3.38Å; H47-K51 VanDerWaalsContact O-N 3.11Å; H47-E65 IonicContact ND1-OE1 3.82Å; H47-E65 IonicContact ND1-OE2 3.55Å; H47-E65 PolarHBondContact ND1-OE2 3.44Å |
| 48 | E | 96.9 | Very high | 96.2 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 176.6 | -70.5 | -59.8 | 142.1 | 0 | 0 | 111.8 | L34 T44 K51 E52 | L34-E48 HydrophobicContact CD2-CB 4.25Å; T44-E48 PolarHBondContact O-N 3.36Å; E48-K51 PolarHBondContact O-N 3.05Å; E48-K51 IonicContact OE1-NZ 3.46Å; E48-K51 PolarHBondContact OE1-NZ 3.28Å; E48-K51 IonicContact OE2-NZ 3.27Å; E48-K51 PolarHBondContact OE2-NZ 3.02Å; E48-E52 WeakPolarHBondContact O-CB 3.24Å; E48-E52 PolarHBondContact O-N 2.95Å |
| 49 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 174.4 | 174.5 | 62 | 0 | 0 | 0 | 112.3 | C24 L26 L32 L34 V45 K46 H47 K51 E52 A53 F70 V101 | C24-L49 HydrophobicContact CB-CD1 3.35Å; C24-L49 HydrophobicContact CB-CD2 3.69Å; C24-L49 HydrophobicContact CB-CG 4.15Å; L26-L49 HydrophobicContact CD2-CD1 4.29Å; L26-L49 HydrophobicContact CD2-CD2 4.07Å; L26-L49 HydrophobicContact CD2-CG 4.21Å; L32-L49 HydrophobicContact CB-CD1 4.17Å; L32-L49 HydrophobicContact CD2-CD1 4.13Å; L34-L49 HydrophobicContact CD2-CB 4.32Å; V45-L49 WeakPolarHBondContact O-CB 3.36Å; V45-L49 PolarHBondContact O-N 2.83Å; K46-L49 WeakPolarHBondContact O-CB 3.47Å; K46-L49 PolarHBondContact O-N 2.88Å; H47-L49 PolarHBondContact O-N 3.47Å; L49-K51 VanDerWaalsContact C-N 3.29Å; L49-K51 PolarHBondContact O-N 3Å; L49-E52 PolarHBondContact O-N 2.96Å; L49-A53 VanDerWaalsContact O-CB 3.28Å; L49-A53 WeakPolarHBondContact O-CB 3.42Å; L49-A53 PolarHBondContact O-N 3.05Å; L49-F70 HydrophobicContact CD2-CE1 3.67Å; L49-F70 HydrophobicContact CD2-CZ 3.89Å; L49-V101 HydrophobicContact CD2-CG2 3.69Å |
| 50 | F | 97.1 | Very high | 96.3 | Very high | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.3 | -27.7 | -178.4 | -88.4 | -99.7 | 0 | 0 | 0 | 112.8 | K46 H47 L62 E65 Y68 V101 | K46-F50 HydrophobicContact CD-CE2 4.41Å; K46-F50 HydrophobicContact CG-CD2 3.83Å; K46-F50 HydrophobicContact CG-CE2 3.86Å; K46-F50 WeakPolarHBondContact O-CD2 3.48Å; K46-F50 PolarHBondContact O-N 3.44Å; H47-F50 PolarHBondContact O-N 2.95Å; F50-L62 HydrophobicContact CE1-CB 4.5Å; F50-E65 HydrophobicContact CB-CB 4.22Å; F50-E65 HydrophobicContact CD1-CB 3.87Å; F50-E65 HydrophobicContact CD2-CB 3.85Å; F50-E65 HydrophobicContact CE1-CB 4.19Å; F50-E65 HydrophobicContact CE2-CB 4.17Å; F50-E65 HydrophobicContact CG-CB 3.69Å; F50-E65 HydrophobicContact CZ-CB 4.35Å; F50-Y68 AromaticContact CE1-CD2 3.79Å; F50-Y68 HydrophobicContact CE1-CD2 3.79Å; F50-Y68 AromaticContact CE1-CE2 3.9Å; F50-Y68 HydrophobicContact CE1-CE2 3.9Å; F50-Y68 HydrophobicContact CE2-CD2 4.41Å; F50-Y68 AromaticContact CZ-CD2 3.34Å; F50-Y68 HydrophobicContact CZ-CD2 3.34Å; F50-Y68 AromaticContact CZ-CE2 3.84Å; F50-Y68 HydrophobicContact CZ-CE2 3.84Å; F50-Y68 HydrophobicContact CZ-CG 4.06Å; F50-V101 HydrophobicContact CE2-CG1 4.25Å; F50-V101 HydrophobicContact CZ-CG1 4.05Å |
| 51 | K | 96.6 | Very high | 96.4 | Very high | 105 Ų | 105 | 69 Ų | 69 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.4 | -43.6 | 170.4 | -177.2 | -176.8 | 171.1 | -163.8 | 0 | 111.5 | H47 E48 L49 R54 | H47-K51 WeakPolarHBondContact O-CB 3.38Å; H47-K51 PolarHBondContact O-N 3.38Å; H47-K51 VanDerWaalsContact O-N 3.11Å; E48-K51 PolarHBondContact O-N 3.05Å; E48-K51 IonicContact OE1-NZ 3.46Å; E48-K51 PolarHBondContact OE1-NZ 3.28Å; E48-K51 IonicContact OE2-NZ 3.27Å; E48-K51 PolarHBondContact OE2-NZ 3.02Å; L49-K51 VanDerWaalsContact C-N 3.29Å; L49-K51 PolarHBondContact O-N 3Å; K51-R54 WeakPolarHBondContact O-CB 3.47Å; K51-R54 PolarHBondContact O-N 2.66Å |
| 52 | E | 96.4 | Very high | 96.4 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 177.8 | -163.3 | 60.1 | -155.2 | 0 | 0 | 111.8 | L32 E48 L49 R54 K55 Y56 | L32-E52 HydrophobicContact CD2-CB 4.49Å; L32-E52 HydrophobicContact CD2-CG 4.46Å; E48-E52 WeakPolarHBondContact O-CB 3.24Å; E48-E52 PolarHBondContact O-N 2.95Å; L49-E52 PolarHBondContact O-N 2.96Å; E52-R54 PolarHBondContact O-N 2.78Å; E52-K55 WeakPolarHBondContact O-CB 3.2Å; E52-K55 PolarHBondContact O-N 3.25Å; E52-K55 WeakPolarHBondContact OE1-CD 3.27Å; E52-K55 WeakPolarHBondContact OE1-CE 3.41Å; E52-K55 IonicContact OE1-NZ 2.79Å; E52-K55 PolarHBondContact OE1-NZ 2.95Å; E52-K55 WeakPolarHBondContact OE2-CE 3.35Å; E52-K55 IonicContact OE2-NZ 2.68Å; E52-K55 PolarHBondContact OE2-NZ 3.3Å; E52-Y56 HydrophobicContact CG-CE2 4.3Å; E52-Y56 WeakPolarHBondContact O-CD2 3.48Å |
| 53 | A | 96.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.8 | -25.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L26 L32 L49 K55 Y56 Y59 L62 | L26-A53 HydrophobicContact CD1-CB 3.85Å; L32-A53 HydrophobicContact CD2-CB 4.14Å; L49-A53 VanDerWaalsContact O-CB 3.28Å; L49-A53 WeakPolarHBondContact O-CB 3.42Å; L49-A53 PolarHBondContact O-N 3.05Å; A53-K55 PolarHBondContact O-N 3.21Å; A53-Y56 PolarHBondContact O-N 3.17Å; A53-Y59 VanDerWaalsContact C-CD2 3.45Å; A53-Y59 HydrophobicContact CB-CD2 4.04Å; A53-Y59 HydrophobicContact CB-CE2 4.16Å; A53-Y59 WeakPolarHBondContact O-CD2 3.31Å; A53-L62 HydrophobicContact CB-CD1 3.95Å |
| 54 | R | 96.1 | Very high | 96.2 | Very high | 170 Ų | 170 | 75.4 Ų | 75.4 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.7 | 174.7 | -70.1 | 175.1 | 179.7 | 178.6 | 5.2 | 113.4 | K51 E52 Y56 Y59 | K51-R54 WeakPolarHBondContact O-CB 3.47Å; K51-R54 PolarHBondContact O-N 2.66Å; E52-R54 PolarHBondContact O-N 2.78Å; R54-Y56 VanDerWaalsContact C-N 3.31Å; R54-Y59 HydrophobicContact CB-CD2 4.47Å; R54-Y59 HydrophobicContact CB-CE2 4.34Å; R54-Y59 HydrophobicContact CG-CD1 4.28Å; R54-Y59 HydrophobicContact CG-CD2 4.09Å; R54-Y59 HydrophobicContact CG-CE1 3.73Å; R54-Y59 HydrophobicContact CG-CE2 3.51Å; R54-Y59 HydrophobicContact CG-CG 4.44Å; R54-Y59 WeakPolarHBondContact CG-OH 3.24Å; R54-Y59 PolarHBondContact NE-OH 3.25Å |
| 55 | K | 95.8 | Very high | 96 | Very high | 150 Ų | 150 | 75.3 Ų | 75.3 | 65% | 0.652 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -8.2 | 179.4 | -55.6 | -178.1 | -164.2 | 158.1 | 0 | 112.9 | E52 A53 | E52-K55 WeakPolarHBondContact O-CB 3.2Å; E52-K55 PolarHBondContact O-N 3.25Å; E52-K55 WeakPolarHBondContact OE1-CD 3.27Å; E52-K55 WeakPolarHBondContact OE1-CE 3.41Å; E52-K55 IonicContact OE1-NZ 2.79Å; E52-K55 PolarHBondContact OE1-NZ 2.95Å; E52-K55 WeakPolarHBondContact OE2-CE 3.35Å; E52-K55 IonicContact OE2-NZ 2.68Å; E52-K55 PolarHBondContact OE2-NZ 3.3Å; A53-K55 PolarHBondContact O-N 3.21Å |
| 56 | Y | 94.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 79.2 Ų | 79.2 | 31% | 0.314 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -104 | 153.4 | -173.2 | -75.8 | -105.4 | 0 | 0 | 0 | 112 | M30 L32 E52 A53 R54 | M30-Y56 HydrophobicContact CE-CD1 3.81Å; L32-Y56 HydrophobicContact CD1-CD1 3.8Å; L32-Y56 HydrophobicContact CD1-CD2 4.27Å; L32-Y56 HydrophobicContact CD1-CE1 4.12Å; L32-Y56 HydrophobicContact CD1-CG 3.88Å; L32-Y56 HydrophobicContact CD2-CD1 4.47Å; L32-Y56 HydrophobicContact CD2-CD2 3.5Å; L32-Y56 HydrophobicContact CD2-CE2 3.59Å; L32-Y56 HydrophobicContact CD2-CG 3.98Å; L32-Y56 HydrophobicContact CG-CD1 3.88Å; L32-Y56 HydrophobicContact CG-CD2 3.8Å; L32-Y56 HydrophobicContact CG-CE1 3.77Å; L32-Y56 HydrophobicContact CG-CE2 3.7Å; L32-Y56 HydrophobicContact CG-CG 3.9Å; E52-Y56 HydrophobicContact CG-CE2 4.3Å; E52-Y56 WeakPolarHBondContact O-CD2 3.48Å; A53-Y56 PolarHBondContact O-N 3.17Å; R54-Y56 VanDerWaalsContact C-N 3.31Å |
| 57 | P | 95.4 | Very high | 95.7 | Very high | 85 Ų | 85 | 80.3 Ų | 80.3 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 155.4 | 173.2 | -26.7 | 34.1 | 0 | 0 | 0 | 113.2 | M30 Y59 | M30-P57 HydrophobicContact CE-CG 4.29Å; M30-P57 HydrophobicContact SD-CB 4.47Å; P57-Y59 PolarHBondContact O-N 2.64Å |
| 58 | L | 95.9 | Very high | 95.7 | Very high | 80 Ų | 80 | 76 Ų | 76 | 42% | 0.419 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 20.3 | 174.9 | -50.1 | 176.5 | 0 | 0 | 0 | 115 | N28 H60 L61 | N28-L58 HydrophobicContact CB-CB 4.33Å; N28-L58 PolarHBondContact ND2-O 3.46Å; L58-H60 PolarHBondContact O-N 2.76Å; L58-L61 HydrophobicContact CB-CD1 4.06Å; L58-L61 HydrophobicContact CB-CG 4.44Å; L58-L61 HydrophobicContact CD2-CD1 4.33Å; L58-L61 WeakPolarHBondContact O-CB 3.3Å; L58-L61 PolarHBondContact O-N 3.41Å; L58-L61 VanDerWaalsContact O-N 3.09Å |
| 59 | Y | 94.9 | Very high | 95.6 | Very high | 75 Ų | 75 | 73.2 Ų | 73.2 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -56 | -36.5 | 176.8 | 179.3 | -104.1 | 0 | 0 | 0 | 113.2 | A53 R54 P57 L61 L62 | A53-Y59 VanDerWaalsContact C-CD2 3.45Å; A53-Y59 HydrophobicContact CB-CD2 4.04Å; A53-Y59 HydrophobicContact CB-CE2 4.16Å; A53-Y59 WeakPolarHBondContact O-CD2 3.31Å; R54-Y59 HydrophobicContact CB-CD2 4.47Å; R54-Y59 HydrophobicContact CB-CE2 4.34Å; R54-Y59 HydrophobicContact CG-CD1 4.28Å; R54-Y59 HydrophobicContact CG-CD2 4.09Å; R54-Y59 HydrophobicContact CG-CE1 3.73Å; R54-Y59 HydrophobicContact CG-CE2 3.51Å; R54-Y59 HydrophobicContact CG-CG 4.44Å; R54-Y59 WeakPolarHBondContact CG-OH 3.24Å; R54-Y59 PolarHBondContact NE-OH 3.25Å; P57-Y59 PolarHBondContact O-N 2.64Å; Y59-L61 PolarHBondContact O-N 3.43Å; Y59-L62 HydrophobicContact CD2-CD1 3.75Å; Y59-L62 HydrophobicContact CE2-CD1 4.04Å; Y59-L62 WeakPolarHBondContact O-CB 3.4Å; Y59-L62 PolarHBondContact O-N 2.62Å |
| 60 | H | 94.1 | Very high | 95.7 | Very high | 150 Ų | 150 | 73.2 Ų | 73.2 | 69% | 0.694 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -62.1 | -12 | 178.8 | 67.6 | -86.5 | 0 | 0 | 0 | 114.5 | L58 | L58-H60 PolarHBondContact O-N 2.76Š|
| 61 | L | 96.7 | Very high | 95.7 | Very high | 99 Ų | 99 | 72.9 Ų | 72.9 | 52% | 0.518 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -86.5 | -9.7 | 173.8 | -60 | -177.9 | 0 | 0 | 0 | 113.2 | N28 L58 Y59 | N28-L61 HydrophobicContact CB-CB 4.05Å; N28-L61 HydrophobicContact CB-CD1 4.39Å; L58-L61 HydrophobicContact CB-CD1 4.06Å; L58-L61 HydrophobicContact CB-CG 4.44Å; L58-L61 HydrophobicContact CD2-CD1 4.33Å; L58-L61 WeakPolarHBondContact O-CB 3.3Å; L58-L61 PolarHBondContact O-N 3.41Å; L58-L61 VanDerWaalsContact O-N 3.09Å; Y59-L61 PolarHBondContact O-N 3.43Å |
| 62 | L | 96 | Very high | 95.7 | Very high | 21 Ų | 21 | 68 Ų | 68 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | trans | -83.6 | 135.2 | 176.3 | -55.8 | -179.4 | 0 | 0 | 0 | 110 | L26 P27 N28 F50 A53 Y59 | L26-L62 HydrophobicContact CB-CD2 4.45Å; L26-L62 HydrophobicContact CD1-CD1 4.12Å; P27-L62 HydrophobicContact CG-CD2 3.55Å; N28-L62 HydrophobicContact CB-CD2 3.99Å; F50-L62 HydrophobicContact CE1-CB 4.5Å; A53-L62 HydrophobicContact CB-CD1 3.95Å; Y59-L62 HydrophobicContact CD2-CD1 3.75Å; Y59-L62 HydrophobicContact CE2-CD1 4.04Å; Y59-L62 WeakPolarHBondContact O-CB 3.4Å; Y59-L62 PolarHBondContact O-N 2.62Å | ||
| 63 | Q | 95.8 | Very high | 95.7 | Very high | 92 Ų | 92 | 67.5 Ų | 67.5 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | trans | -75.7 | -173.5 | 167.1 | -56.6 | 179.9 | 30.1 | 0 | 0 | 110.6 | S67 Y68 E103 | Q63-S67 PolarHBondContact OE1-OG 3.26Å; Q63-Y68 HydrophobicContact CB-CE2 3.72Å; Q63-Y68 WeakPolarHBondContact CB-OH 3.28Å; Q63-Y68 WeakPolarHBondContact CG-OH 3.4Å; Q63-Y68 PolarHBondContact N-OH 2.86Å; Q63-E103 PolarHBondContact NE2-OE1 2.77Å; Q63-E103 VanDerWaalsContact NE2-OE1 3.13Å | ||
| 64 | E | 94.4 | Very high | 95.5 | Very high | 145 Ų | 145 | 67.7 Ų | 67.7 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | trans | -62.4 | 148.9 | 171.8 | -62.5 | -169.7 | 170.8 | 0 | 0 | 111.9 | S66 S67 Y68 | E64-S66 PolarHBondContact O-N 3.02Å; E64-S66 VanDerWaalsContact O-N 3.09Å; E64-S67 WeakPolarHBondContact O-CB 3.35Å; E64-S67 PolarHBondContact O-N 3.21Å; E64-Y68 WeakPolarHBondContact O-CD2 3.47Å; E64-Y68 WeakPolarHBondContact O-CE2 3.27Å | ||
| 65 | E | 94.1 | Very high | 95.1 | Very high | 72 Ų | 72 | 60.2 Ų | 60.2 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -58.4 | -25.4 | 179.7 | 67.8 | -179.5 | -175.3 | 0 | 0 | 113.4 | K46 H47 F50 S67 Y68 | K46-E65 WeakPolarHBondContact CE-O 3.46Å; K46-E65 PolarHBondContact NZ-O 2.95Å; H47-E65 IonicContact ND1-OE1 3.82Å; H47-E65 IonicContact ND1-OE2 3.55Å; H47-E65 PolarHBondContact ND1-OE2 3.44Å; F50-E65 HydrophobicContact CB-CB 4.22Å; F50-E65 HydrophobicContact CD1-CB 3.87Å; F50-E65 HydrophobicContact CD2-CB 3.85Å; F50-E65 HydrophobicContact CE1-CB 4.19Å; F50-E65 HydrophobicContact CE2-CB 4.17Å; F50-E65 HydrophobicContact CG-CB 3.69Å; F50-E65 HydrophobicContact CZ-CB 4.35Å; E65-S67 VanDerWaalsContact C-N 3.3Å; E65-S67 PolarHBondContact O-N 3.47Å; E65-Y68 PolarHBondContact O-N 3.35Å |
| 66 | S | 93.4 | Very high | 94.6 | Very high | 86 Ų | 86 | 54.1 Ų | 54.1 | 60% | 0.601 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -69.9 | -23.7 | 177.8 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | E64 Y68 | E64-S66 PolarHBondContact O-N 3.02Å; E64-S66 VanDerWaalsContact O-N 3.09Å; S66-Y68 PolarHBondContact O-N 3.19Å |
| 67 | S | 94.9 | Very high | 94.4 | Very high | 40 Ų | 40 | 53 Ų | 53 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -75.2 | -10.6 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 113.2 | Q63 E64 E65 P104 | Q63-S67 PolarHBondContact OE1-OG 3.26Å; E64-S67 WeakPolarHBondContact O-CB 3.35Å; E64-S67 PolarHBondContact O-N 3.21Å; E65-S67 VanDerWaalsContact C-N 3.3Å; E65-S67 PolarHBondContact O-N 3.47Å; S67-P104 VanDerWaalsContact O-CD 3.27Å; S67-P104 WeakPolarHBondContact O-CD 3.44Å |
| 68 | Y | 96.4 | Very high | 94 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | trans | -119.7 | 153.6 | -170.4 | -59.7 | -73.2 | 0 | 0 | 0 | 113.4 | P27 K46 F50 Q63 E64 E65 S66 V101 I102 E103 | P27-Y68 HydrophobicContact CB-CE1 4.31Å; P27-Y68 HydrophobicContact CG-CD1 4.47Å; P27-Y68 HydrophobicContact CG-CE1 3.75Å; K46-Y68 PolarHBondContact NZ-O 2.95Å; F50-Y68 AromaticContact CE1-CD2 3.79Å; F50-Y68 HydrophobicContact CE1-CD2 3.79Å; F50-Y68 AromaticContact CE1-CE2 3.9Å; F50-Y68 HydrophobicContact CE1-CE2 3.9Å; F50-Y68 HydrophobicContact CE2-CD2 4.41Å; F50-Y68 AromaticContact CZ-CD2 3.34Å; F50-Y68 HydrophobicContact CZ-CD2 3.34Å; F50-Y68 AromaticContact CZ-CE2 3.84Å; F50-Y68 HydrophobicContact CZ-CE2 3.84Å; F50-Y68 HydrophobicContact CZ-CG 4.06Å; Q63-Y68 HydrophobicContact CB-CE2 3.72Å; Q63-Y68 WeakPolarHBondContact CB-OH 3.28Å; Q63-Y68 WeakPolarHBondContact CG-OH 3.4Å; Q63-Y68 PolarHBondContact N-OH 2.86Å; E64-Y68 WeakPolarHBondContact O-CD2 3.47Å; E64-Y68 WeakPolarHBondContact O-CE2 3.27Å; E65-Y68 PolarHBondContact O-N 3.35Å; S66-Y68 PolarHBondContact O-N 3.19Å; Y68-V101 HydrophobicContact CD1-CG1 3.73Å; Y68-V101 HydrophobicContact CD2-CG1 4.27Å; Y68-V101 HydrophobicContact CE1-CG1 4.47Å; Y68-V101 HydrophobicContact CG-CG1 3.6Å; Y68-I102 WeakPolarHBondContact CA-O 3.45Å; Y68-E103 HydrophobicContact CD1-CG 3.9Å; Y68-E103 HydrophobicContact CE1-CG 3.68Å | ||
| 69 | I | 96.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 166.2 | 167 | 61.9 | 168.8 | 0 | 0 | 0 | 109.9 | E81 Y83 I102 P104 | I69-E81 HydrophobicContact CD1-CB 4.03Å; I69-Y83 HydrophobicContact CD1-CD1 4.07Å; I69-Y83 HydrophobicContact CD1-CE1 3.73Å; I69-Y83 HydrophobicContact CD1-CE2 4.31Å; I69-Y83 HydrophobicContact CG2-CD1 4.45Å; I69-I102 HydrophobicContact CD1-CD1 4.45Å; I69-I102 HydrophobicContact CD1-CG1 4.46Å; I69-I102 HydrophobicContact CG1-CD1 4.4Å; I69-I102 HydrophobicContact CG1-CG1 3.88Å; I69-I102 PolarHBondContact N-O 3.13Å; I69-I102 PolarHBondContact O-N 3.39Å; I69-P104 HydrophobicContact CD1-CB 4.01Å; I69-P104 HydrophobicContact CG1-CB 4.31Å; I69-P104 HydrophobicContact CG2-CB 4.49Å |
| 70 | F | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 149.5 | 170.3 | -71.3 | -59.8 | 0 | 0 | 0 | 112.6 | L42 V45 K46 L49 F82 L99 K100 V101 | L42-F70 HydrophobicContact CB-CD2 4.22Å; L42-F70 HydrophobicContact CD2-CD2 3.75Å; L42-F70 HydrophobicContact CD2-CE2 4.16Å; L42-F70 HydrophobicContact CG-CD2 4.41Å; V45-F70 HydrophobicContact CB-CE2 4.49Å; V45-F70 HydrophobicContact CG1-CE2 4.27Å; V45-F70 HydrophobicContact CG1-CZ 4.13Å; K46-F70 HydrophobicContact CB-CE2 3.57Å; K46-F70 HydrophobicContact CB-CZ 3.83Å; K46-F70 HydrophobicContact CD-CE2 4.42Å; K46-F70 HydrophobicContact CG-CE2 4.1Å; K46-F70 HydrophobicContact CG-CZ 4.08Å; L49-F70 HydrophobicContact CD2-CE1 3.67Å; L49-F70 HydrophobicContact CD2-CZ 3.89Å; F70-F82 HydrophobicContact CB-CB 4.46Å; F70-F82 HydrophobicContact CB-CD2 3.91Å; F70-F82 PolarHBondContact O-N 3.06Å; F70-L99 HydrophobicContact CB-CD2 4.35Å; F70-L99 HydrophobicContact CD1-CB 3.69Å; F70-L99 HydrophobicContact CD1-CD1 4.21Å; F70-L99 HydrophobicContact CD1-CG 4.44Å; F70-L99 HydrophobicContact CD2-CD1 4.26Å; F70-L99 HydrophobicContact CE1-CB 3.97Å; F70-L99 HydrophobicContact CE1-CD1 4.2Å; F70-L99 HydrophobicContact CE2-CD1 4.22Å; F70-L99 HydrophobicContact CG-CB 4.26Å; F70-L99 HydrophobicContact CG-CD1 4.23Å; F70-L99 HydrophobicContact CZ-CD1 4.19Å; F70-K100 CarbonylContact C-O 3.56Å; F70-K100 WeakPolarHBondContact CA-O 3.42Å; F70-V101 HydrophobicContact CD1-CG2 3.94Å; F70-V101 HydrophobicContact CE1-CG2 3.61Å |
| 71 | V | 96.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.8 | 168.2 | 68.7 | 0 | 0 | 0 | 0 | 109.2 | R79 E80 E81 K100 I102 | V71-R79 HydrophobicContact CG2-CG 3.5Å; V71-R79 VanDerWaalsContact CG2-CG 3.5Å; V71-E80 VanDerWaalsContact CA-O 3.24Å; V71-E80 WeakPolarHBondContact CA-O 3.34Å; V71-E80 WeakPolarHBondContact CG2-O 3.32Å; V71-E81 HydrophobicContact CB-CG 4.32Å; V71-E81 HydrophobicContact CG2-CG 3.83Å; V71-K100 HydrophobicContact CG1-CB 3.68Å; V71-K100 HydrophobicContact CG1-CD 4.18Å; V71-K100 HydrophobicContact CG1-CG 3.99Å; V71-K100 PolarHBondContact N-O 3.17Å; V71-K100 WeakPolarHBondContact O-CB 3.37Å; V71-K100 PolarHBondContact O-N 2.81Å; V71-I102 HydrophobicContact CB-CD1 3.85Å; V71-I102 HydrophobicContact CB-CG1 4.17Å; V71-I102 HydrophobicContact CG1-CB 4.47Å; V71-I102 HydrophobicContact CG1-CD1 3.87Å; V71-I102 HydrophobicContact CG1-CG1 3.96Å; V71-I102 HydrophobicContact CG1-CG2 3.7Å; V71-I102 HydrophobicContact CG2-CD1 4.37Å |
| 72 | S | 97.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | -179.8 | 174.1 | -165.4 | 0 | 0 | 0 | 0 | 111.3 | R79 E80 F98 | S72-R79 CarbonylContact O-C 3.59Å; S72-R79 WeakPolarHBondContact O-CA 3.4Å; S72-E80 PolarHBondContact N-O 3.37Å; S72-E80 VanDerWaalsContact N-O 3.07Å; S72-E80 PolarHBondContact O-N 2.94Å; S72-F98 WeakPolarHBondContact CB-O 3.12Å; S72-F98 PolarHBondContact OG-O 2.74Å |
| 73 | V | 95.8 | Very high | 93.3 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 28% | 0.279 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.7 | 173 | 178.3 | 0 | 0 | 0 | 0 | 109 | E78 F95 F98 | V73-E78 VanDerWaalsContact CA-O 3.31Å; V73-E78 WeakPolarHBondContact CA-O 3.44Å; V73-F95 HydrophobicContact CB-CB 4.45Å; V73-F95 HydrophobicContact CG1-CB 4.04Å; V73-F95 WeakPolarHBondContact O-CB 3.27Å; V73-F95 PolarHBondContact O-N 2.92Å; V73-F98 HydrophobicContact CB-CE1 4.34Å; V73-F98 HydrophobicContact CB-CZ 4.2Å; V73-F98 HydrophobicContact CG2-CZ 3.98Å |
| 74 | T | 92.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -89.8 | 169.3 | 178.7 | 69.5 | 0 | 0 | 0 | 0 | 111.4 | E76 A77 E78 E80 R93 | T74-E76 PolarHBondContact O-N 2.91Å; T74-E76 VanDerWaalsContact O-N 3.15Å; T74-E76 PolarHBondContact OG1-N 3.24Å; T74-A77 WeakPolarHBondContact O-CA 3.4Å; T74-A77 PolarHBondContact O-N 2.92Å; T74-E78 PolarHBondContact N-O 3.41Å; T74-E80 HydrophobicContact CG2-CB 3.57Å; T74-E80 HydrophobicContact CG2-CG 4.48Å; T74-E80 VanDerWaalsContact CG2-OE2 3.25Å; T74-E80 WeakPolarHBondContact CG2-OE2 3.42Å; T74-R93 CarbonylContact C-O 3.46Å; T74-R93 VanDerWaalsContact CA-O 3.3Å; T74-R93 WeakPolarHBondContact CA-O 3.33Å |
| 75 | Q | 88.9 | Confident | 92.9 | Very high | 14 Ų | 14 | 35.2 Ų | 35.2 | 7% | 0.065 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14 | 173.2 | -68.1 | 171.7 | 36.9 | 0 | 0 | 114 | G8 E9 A77 R93 L94 | G8-Q75 PolarHBondContact O-NE2 2.96Å; G8-Q75 PolarHBondContact O-OE1 3.41Å; E9-Q75 VanDerWaalsContact C-NE2 3.28Å; E9-Q75 PolarHBondContact O-NE2 3.25Å; Q75-A77 PolarHBondContact O-N 2.82Å; Q75-R93 WeakPolarHBondContact CG-O 3.33Å; Q75-R93 PolarHBondContact N-O 3.21Å; Q75-L94 WeakPolarHBondContact CG-O 3.37Å; Q75-L94 PolarHBondContact NE2-O 2.68Å |
| 76 | E | 85 | Confident | 92.8 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 5.3 | 170.4 | -64.4 | 178.8 | 167.9 | 0 | 0 | 111.8 | R4 T74 E78 P124 | R4-E76 HydrophobicContact CG-CG 3.5Å; R4-E76 IonicContact CZ-OE1 3.9Å; R4-E76 IonicContact NE-OE1 3.82Å; R4-E76 PolarHBondContact NE-OE1 2.88Å; R4-E76 IonicContact NH2-OE1 3.64Å; T74-E76 PolarHBondContact O-N 2.91Å; T74-E76 VanDerWaalsContact O-N 3.15Å; T74-E76 PolarHBondContact OG1-N 3.24Å; E76-E78 PolarHBondContact O-N 2.86Å; E76-P124 HydrophobicContact CB-CG 4.02Å; E76-P124 WeakPolarHBondContact OE2-CD 3.49Å; E76-P124 VanDerWaalsContact OE2-CG 3.3Å; E76-P124 WeakPolarHBondContact OE2-CG 3.4Å |
| 77 | A | 89.1 | Confident | 92.7 | Very high | 58 Ų | 58 | 33.4 Ų | 33.4 | 48% | 0.479 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 56.6 | 26.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 T74 Q75 | M1-A77 HydrophobicContact SD-CB 3.5Å; M1-A77 VanDerWaalsContact SD-CB 3.5Å; T74-A77 WeakPolarHBondContact O-CA 3.4Å; T74-A77 PolarHBondContact O-N 2.92Å; Q75-A77 PolarHBondContact O-N 2.82Å |
| 78 | E | 88.3 | Confident | 92.7 | Very high | 57 Ų | 57 | 33.9 Ų | 33.9 | 27% | 0.266 | 17% | 0.17 | S | C | . | . | trans | -95.7 | 143.8 | 172.6 | -171.5 | -175.1 | -170.8 | 0 | 0 | 110.2 | V73 T74 E76 E80 P124 C126 | V73-E78 VanDerWaalsContact CA-O 3.31Å; V73-E78 WeakPolarHBondContact CA-O 3.44Å; T74-E78 PolarHBondContact N-O 3.41Å; E76-E78 PolarHBondContact O-N 2.86Å; E78-E80 PolarHBondContact O-N 3.08Å; E78-P124 HydrophobicContact CB-CG 4.19Å; E78-P124 VanDerWaalsContact OE2-CB 3.24Å; E78-P124 WeakPolarHBondContact OE2-CB 3.18Å; E78-P124 VanDerWaalsContact OE2-CG 3.28Å; E78-P124 WeakPolarHBondContact OE2-CG 3.47Å; E78-C126 PolarHBondContact OE1-SG 3.34Å | ||
| 79 | R | 91.9 | Very high | 92.6 | Very high | 142 Ų | 142 | 33.7 Ų | 33.7 | 54% | 0.536 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 93.3 | 166.4 | -176.8 | 178.7 | 175.9 | -127.1 | -6.2 | 109.5 | V71 S72 | V71-R79 HydrophobicContact CG2-CG 3.5Å; V71-R79 VanDerWaalsContact CG2-CG 3.5Å; S72-R79 CarbonylContact O-C 3.59Å; S72-R79 WeakPolarHBondContact O-CA 3.4Å |
| 80 | E | 91.6 | Very high | 92.4 | Very high | 22 Ų | 22 | 33.1 Ų | 33.1 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131.9 | -178.8 | -173.9 | -178.7 | 162.7 | 0 | 0 | 111.6 | V71 S72 T74 E78 F82 R87 R115 | V71-E80 VanDerWaalsContact CA-O 3.24Å; V71-E80 WeakPolarHBondContact CA-O 3.34Å; V71-E80 WeakPolarHBondContact CG2-O 3.32Å; S72-E80 PolarHBondContact N-O 3.37Å; S72-E80 VanDerWaalsContact N-O 3.07Å; S72-E80 PolarHBondContact O-N 2.94Å; T74-E80 HydrophobicContact CG2-CB 3.57Å; T74-E80 HydrophobicContact CG2-CG 4.48Å; T74-E80 VanDerWaalsContact CG2-OE2 3.25Å; T74-E80 WeakPolarHBondContact CG2-OE2 3.42Å; E78-E80 PolarHBondContact O-N 3.08Å; E80-F82 HydrophobicContact CB-CE1 4.08Å; E80-F82 HydrophobicContact CB-CZ 4.26Å; E80-F82 HydrophobicContact CG-CD1 4.01Å; E80-F82 HydrophobicContact CG-CE1 3.79Å; E80-F82 HydrophobicContact CG-CZ 4.45Å; E80-F82 WeakPolarHBondContact OE1-CD1 3.35Å; E80-R87 IonicContact OE1-CZ 2.82Å; E80-R87 IonicContact OE1-NH1 3.94Å; E80-R87 PolarHBondContact OE1-NH1 2.85Å; E80-R115 WeakPolarHBondContact OE1-CG 3.45Å; E80-R115 IonicContact OE1-NE 2.82Å |
| 81 | E | 93.9 | Very high | 92 | Very high | 39 Ų | 39 | 34.4 Ų | 34.4 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.1 | 170.5 | -65.4 | 177.3 | -154.4 | 0 | 0 | 110.2 | I69 V71 Y83 I102 K111 | I69-E81 HydrophobicContact CD1-CB 4.03Å; V71-E81 HydrophobicContact CB-CG 4.32Å; V71-E81 HydrophobicContact CG2-CG 3.83Å; E81-Y83 HydrophobicContact CB-CD2 4.26Å; E81-Y83 HydrophobicContact CB-CE2 3.77Å; E81-Y83 WeakPolarHBondContact O-CD2 3.38Å; E81-Y83 PolarHBondContact O-N 3.16Å; E81-Y83 PolarHBondContact OE2-OH 3.41Å; E81-I102 HydrophobicContact CG-CD1 4.1Å; E81-K111 IonicContact OE1-NZ 3.61Å; E81-K111 PolarHBondContact OE1-NZ 3.33Å; E81-K111 IonicContact OE2-NZ 3.55Å; E81-K111 PolarHBondContact OE2-NZ 3.29Å |
| 82 | F | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 84.1 | -173.2 | -54.8 | -68.1 | 0 | 0 | 0 | 111.8 | L42 F70 E80 L92 L94 L99 | L42-F82 HydrophobicContact CD1-CB 3.48Å; L42-F82 VanDerWaalsContact CD1-CB 3.48Å; L42-F82 HydrophobicContact CD1-CD1 4.5Å; L42-F82 HydrophobicContact CD1-CD2 4.32Å; L42-F82 HydrophobicContact CD1-CG 3.88Å; F70-F82 HydrophobicContact CB-CB 4.46Å; F70-F82 HydrophobicContact CB-CD2 3.91Å; F70-F82 PolarHBondContact O-N 3.06Å; E80-F82 HydrophobicContact CB-CE1 4.08Å; E80-F82 HydrophobicContact CB-CZ 4.26Å; E80-F82 HydrophobicContact CG-CD1 4.01Å; E80-F82 HydrophobicContact CG-CE1 3.79Å; E80-F82 HydrophobicContact CG-CZ 4.45Å; E80-F82 WeakPolarHBondContact OE1-CD1 3.35Å; F82-L92 HydrophobicContact CD1-CD2 3.97Å; F82-L92 HydrophobicContact CE1-CB 4.12Å; F82-L92 HydrophobicContact CE1-CD1 4.43Å; F82-L92 HydrophobicContact CE1-CD2 3.97Å; F82-L92 HydrophobicContact CE1-CG 4.38Å; F82-L92 HydrophobicContact CE2-CD1 4.39Å; F82-L92 HydrophobicContact CZ-CB 4.2Å; F82-L92 HydrophobicContact CZ-CD1 4.28Å; F82-L94 HydrophobicContact CE2-CD2 4.26Å; F82-L94 HydrophobicContact CZ-CD2 3.82Å; F82-L99 HydrophobicContact CD2-CD2 4.42Å; F82-L99 HydrophobicContact CE2-CD2 4.04Å |
| 83 | Y | 90.7 | Very high | 91.4 | Very high | 23 Ų | 23 | 35.7 Ų | 35.7 | 9% | 0.09 | 18% | 0.178 | C | C | . | . | trans | -74.5 | -25.6 | 176.1 | -70.3 | -81.3 | 0 | 0 | 0 | 114.4 | I69 E81 E85 P104 V105 R108 K111 I112 | I69-Y83 HydrophobicContact CD1-CD1 4.07Å; I69-Y83 HydrophobicContact CD1-CE1 3.73Å; I69-Y83 HydrophobicContact CD1-CE2 4.31Å; I69-Y83 HydrophobicContact CG2-CD1 4.45Å; E81-Y83 HydrophobicContact CB-CD2 4.26Å; E81-Y83 HydrophobicContact CB-CE2 3.77Å; E81-Y83 WeakPolarHBondContact O-CD2 3.38Å; E81-Y83 PolarHBondContact O-N 3.16Å; E81-Y83 PolarHBondContact OE2-OH 3.41Å; Y83-E85 PolarHBondContact O-N 2.9Å; Y83-P104 HydrophobicContact CE1-CB 3.91Å; Y83-V105 PolarHBondContact OH-O 3.19Å; Y83-R108 HydrophobicContact CD1-CG 3.83Å; Y83-R108 HydrophobicContact CE1-CB 4.35Å; Y83-R108 HydrophobicContact CE1-CG 3.91Å; Y83-R108 HydrophobicContact CG-CG 4.46Å; Y83-K111 HydrophobicContact CD2-CB 4.44Å; Y83-K111 HydrophobicContact CE2-CB 3.8Å; Y83-K111 HydrophobicContact CE2-CD 3.8Å; Y83-K111 HydrophobicContact CE2-CG 4.48Å; Y83-K111 WeakPolarHBondContact OH-CD 3.28Å; Y83-I112 HydrophobicContact CD2-CG1 4.23Å; Y83-I112 HydrophobicContact CG-CD1 4.44Å; Y83-I112 HydrophobicContact CG-CG1 4.08Å | ||
| 84 | D | 88.7 | Confident | 91.3 | Very high | 58 Ų | 58 | 33.5 Ų | 33.5 | 31% | 0.31 | 17% | 0.165 | S | C | . | . | trans | -94.8 | 92.1 | 175.8 | 176.5 | 10.6 | 0 | 0 | 0 | 108.9 | T86 R115 | D84-T86 PolarHBondContact O-N 3.16Å; D84-T86 WeakPolarHBondContact OD1-CB 3.47Å; D84-T86 PolarHBondContact OD1-N 3.38Å; D84-T86 PolarHBondContact OD1-OG1 3.04Å; D84-R115 IonicContact OD2-NH2 3.37Å; D84-R115 PolarHBondContact OD2-NH2 3.33Å | ||
| 85 | E | 93.1 | Very high | 91.3 | Very high | 32 Ų | 32 | 37 Ų | 37 | 15% | 0.15 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0.4 | -176.4 | -57.8 | -173.3 | 151.6 | 0 | 0 | 112.9 | L42 I43 K46 Y83 R87 | L42-E85 HydrophobicContact CB-CB 3.95Å; L42-E85 HydrophobicContact CB-CG 4.44Å; L42-E85 WeakPolarHBondContact CB-O 3.03Å; L42-E85 PolarHBondContact N-O 3.24Å; I43-E85 HydrophobicContact CD1-CB 4.4Å; I43-E85 HydrophobicContact CG1-CB 3.59Å; I43-E85 WeakPolarHBondContact CG1-O 3.43Å; I43-E85 PolarHBondContact N-O 3.09Å; K46-E85 WeakPolarHBondContact CE-OE1 3.38Å; K46-E85 VanDerWaalsContact CE-OE2 3.24Å; K46-E85 WeakPolarHBondContact CE-OE2 3.5Å; K46-E85 IonicContact NZ-OE1 3.44Å; K46-E85 PolarHBondContact NZ-OE1 3.03Å; K46-E85 IonicContact NZ-OE2 2.77Å; K46-E85 PolarHBondContact NZ-OE2 3.27Å; Y83-E85 PolarHBondContact O-N 2.9Å; E85-R87 PolarHBondContact O-N 3.47Å |
| 86 | T | 91.9 | Very high | 91.6 | Very high | 92 Ų | 92 | 41.1 Ų | 41.1 | 56% | 0.564 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -18.1 | 173.4 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | T41 I43 D84 | T41-T86 VanDerWaalsContact CG2-O 3.3Å; T41-T86 WeakPolarHBondContact CG2-O 3.45Å; I43-T86 HydrophobicContact CD1-CG2 4.18Å; D84-T86 PolarHBondContact O-N 3.16Å; D84-T86 WeakPolarHBondContact OD1-CB 3.47Å; D84-T86 PolarHBondContact OD1-N 3.38Å; D84-T86 PolarHBondContact OD1-OG1 3.04Å |
| 87 | R | 92.3 | Very high | 92.1 | Very high | 27 Ų | 27 | 41 Ų | 41 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -62.2 | 145.9 | 176.8 | -71.7 | 176.5 | 65.3 | -167.2 | 7.1 | 112 | T41 L42 E80 E85 D91 L92 R115 | T41-R87 CarbonylContact C-O 3.58Å; T41-R87 VanDerWaalsContact CA-O 3.28Å; T41-R87 WeakPolarHBondContact CA-O 3.25Å; L42-R87 PolarHBondContact N-O 3.44Å; E80-R87 IonicContact OE1-CZ 2.82Å; E80-R87 IonicContact OE1-NH1 3.94Å; E80-R87 PolarHBondContact OE1-NH1 2.85Å; E85-R87 PolarHBondContact O-N 3.47Å; R87-D91 PolarHBondContact NH2-O 3.04Å; R87-L92 HydrophobicContact CB-CD2 3.77Å; R87-R115 VanDerWaalsContact CD-NH2 3.25Å |
| 88 | R | 93.8 | Very high | 92.5 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 19% | 0.192 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -86.5 | 152.8 | 175.6 | -57.1 | 179.5 | 169.5 | 141.5 | 5.5 | 111.2 | E39 A40 T41 C90 D91 L92 P742 D743 D746 | E39-R88 WeakPolarHBondContact O-CD 3.49Å; E39-R88 WeakPolarHBondContact O-CG 3.41Å; A40-R88 CarbonylContact O-C 3.52Å; A40-R88 VanDerWaalsContact O-CA 3.31Å; A40-R88 WeakPolarHBondContact O-CA 3.45Å; T41-R88 HydrophobicContact CG2-CG 4.37Å; R88-C90 VanDerWaalsContact C-N 3.31Å; R88-C90 PolarHBondContact O-N 3.18Å; R88-D91 WeakPolarHBondContact CB-OD2 3.43Å; R88-D91 PolarHBondContact O-N 3.13Å; R88-L92 WeakPolarHBondContact O-CG 3.39Å; R88-P742 PolarHBondContact NH1-O 3.43Å; R88-D743 VanDerWaalsContact NH1-N 3.13Å; R88-D746 IonicContact CZ-OD2 3.19Å; R88-D746 IonicContact NH1-OD2 2.74Å; R88-D746 PolarHBondContact NH1-OD2 3.48Å; R88-D746 IonicContact NH2-OD2 2.77Å; R88-D746 PolarHBondContact NH2-OD2 2.72Å |
| 89 | L | 95 | Very high | 93 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -54.8 | -43.5 | 179.6 | -175.8 | 65.6 | 0 | 0 | 0 | 112.8 | M16 I20 V22 C36 A40 D91 L92 L94 | M16-L89 HydrophobicContact SD-CG 4.36Å; I20-L89 HydrophobicContact CG2-CD2 3.6Å; V22-L89 HydrophobicContact CG2-CD1 4.45Å; V22-L89 HydrophobicContact CG2-CD2 3.66Å; C36-L89 HydrophobicContact CB-CD2 4.13Å; A40-L89 PolarHBondContact O-N 3.14Å; L89-D91 PolarHBondContact O-N 3.39Å; L89-L92 HydrophobicContact CD1-CD1 4.13Å; L89-L92 WeakPolarHBondContact O-CB 3.26Å; L89-L92 PolarHBondContact O-N 3.24Å; L89-L94 HydrophobicContact CD1-CD1 3.74Å |
| 90 | C | 91.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.02 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -63.4 | -23.1 | 177.3 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | E9 R38 R88 | E9-C90 HydrophobicContact CG-CB 4.28Å; R38-C90 HydrophobicContact CG-CB 3.62Å; R38-C90 PolarHBondContact O-N 2.86Å; R38-C90 VanDerWaalsContact O-N 3.17Å; R88-C90 VanDerWaalsContact C-N 3.31Å; R88-C90 PolarHBondContact O-N 3.18Å |
| 91 | D | 90.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -95.8 | 3 | -176.1 | -53.6 | -37.7 | 0 | 0 | 0 | 112.1 | R87 R88 L89 K711 | R87-D91 PolarHBondContact NH2-O 3.04Å; R88-D91 WeakPolarHBondContact CB-OD2 3.43Å; R88-D91 PolarHBondContact O-N 3.13Å; L89-D91 PolarHBondContact O-N 3.39Å; D91-K711 IonicContact OD1-NZ 3.26Å; D91-K711 PolarHBondContact OD1-NZ 3.01Å |
| 92 | L | 91.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -83.9 | -14.2 | 179.1 | -56 | -175.3 | 0 | 0 | 0 | 113.7 | L42 F82 R87 R88 L89 L94 L99 | L42-L92 HydrophobicContact CD1-CD1 4.02Å; L42-L92 HydrophobicContact CD1-CD2 4Å; L42-L92 HydrophobicContact CD2-CD1 3.62Å; L42-L92 HydrophobicContact CG-CD1 4.01Å; L42-L92 HydrophobicContact CG-CD2 4.46Å; F82-L92 HydrophobicContact CD1-CD2 3.97Å; F82-L92 HydrophobicContact CE1-CB 4.12Å; F82-L92 HydrophobicContact CE1-CD1 4.43Å; F82-L92 HydrophobicContact CE1-CD2 3.97Å; F82-L92 HydrophobicContact CE1-CG 4.38Å; F82-L92 HydrophobicContact CE2-CD1 4.39Å; F82-L92 HydrophobicContact CZ-CB 4.2Å; F82-L92 HydrophobicContact CZ-CD1 4.28Å; R87-L92 HydrophobicContact CB-CD2 3.77Å; R88-L92 WeakPolarHBondContact O-CG 3.39Å; L89-L92 HydrophobicContact CD1-CD1 4.13Å; L89-L92 WeakPolarHBondContact O-CB 3.26Å; L89-L92 PolarHBondContact O-N 3.24Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 HydrophobicContact CB-CD2 3.76Å; L92-L94 HydrophobicContact CB-CG 3.89Å; L92-L94 HydrophobicContact CD1-CD2 4.31Å; L92-L94 PolarHBondContact O-N 2.87Å; L92-L99 HydrophobicContact CD1-CD2 4.38Å |
| 93 | R | 89.3 | Confident | 93.8 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 11% | 0.113 | 19% | 0.186 | C | C | . | . | trans | 53.2 | 47.8 | -178.8 | -54.2 | 172.1 | 179 | 152.2 | -3.2 | 111.9 | R4 T74 Q75 F119 E710 | R4-R93 VanDerWaalsContact CZ-NH1 3.28Å; R4-R93 VanDerWaalsContact NH1-NE 3.11Å; T74-R93 CarbonylContact C-O 3.46Å; T74-R93 VanDerWaalsContact CA-O 3.3Å; T74-R93 WeakPolarHBondContact CA-O 3.33Å; Q75-R93 WeakPolarHBondContact CG-O 3.33Å; Q75-R93 PolarHBondContact N-O 3.21Å; R93-F119 VanDerWaalsContact NH2-CZ 3.32Å; R93-E710 IonicContact CZ-OE2 2.83Å; R93-E710 IonicContact NE-OE2 3.55Å; R93-E710 PolarHBondContact NE-OE2 2.7Å; R93-E710 IonicContact NH2-OE1 2.65Å; R93-E710 PolarHBondContact NH2-OE1 3.23Å; R93-E710 IonicContact NH2-OE2 2.98Å; R93-E710 PolarHBondContact NH2-OE2 3.1Å | ||
| 94 | L | 94.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -64.2 | 146.6 | -177.8 | -60.2 | -177.3 | 0 | 0 | 0 | 110.3 | E9 L10 W11 Q75 F82 L89 L92 Q96 L99 | E9-L94 PolarHBondContact O-N 3.39Å; L10-L94 WeakPolarHBondContact CA-O 3.46Å; L10-L94 HydrophobicContact CD1-CB 3.84Å; L10-L94 WeakPolarHBondContact CD1-O 3.44Å; W11-L94 PolarHBondContact N-O 3.01Å; Q75-L94 WeakPolarHBondContact CG-O 3.37Å; Q75-L94 PolarHBondContact NE2-O 2.68Å; F82-L94 HydrophobicContact CE2-CD2 4.26Å; F82-L94 HydrophobicContact CZ-CD2 3.82Å; L89-L94 HydrophobicContact CD1-CD1 3.74Å; L92-L94 VanDerWaalsContact C-N 3.3Å; L92-L94 HydrophobicContact CB-CD2 3.76Å; L92-L94 HydrophobicContact CB-CG 3.89Å; L92-L94 HydrophobicContact CD1-CD2 4.31Å; L92-L94 PolarHBondContact O-N 2.87Å; L94-Q96 WeakPolarHBondContact CB-O 3.41Å; L94-L99 HydrophobicContact CD1-CD2 4.44Å |
| 95 | F | 93.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 43 Ų | 43 | 34% | 0.338 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -75.5 | -41.9 | 168.6 | 179.9 | -106.7 | 0 | 0 | 0 | 110.8 | W11 V73 | W11-F95 HydrophobicContact CB-CD2 3.65Å; W11-F95 HydrophobicContact CB-CE2 3.89Å; W11-F95 HydrophobicContact CB-CG 4.37Å; W11-F95 WeakPolarHBondContact CB-O 3.37Å; W11-F95 AromaticContact CD1-CE2 3.53Å; W11-F95 AromaticContact CD1-CZ 3.93Å; W11-F95 HydrophobicContact CD2-CD2 4.33Å; W11-F95 AromaticContact CD2-CE2 3.89Å; W11-F95 HydrophobicContact CD2-CE2 3.89Å; W11-F95 AromaticContact CG-CD2 3.77Å; W11-F95 HydrophobicContact CG-CD2 3.77Å; W11-F95 AromaticContact CG-CE2 3.47Å; W11-F95 HydrophobicContact CG-CE2 3.47Å; W11-F95 VanDerWaalsContact CG-CE2 3.47Å; W11-F95 HydrophobicContact CG-CZ 4.29Å; W11-F95 AromaticContact NE1-CE2 3.9Å; V73-F95 HydrophobicContact CB-CB 4.45Å; V73-F95 HydrophobicContact CG1-CB 4.04Å; V73-F95 WeakPolarHBondContact O-CB 3.27Å; V73-F95 PolarHBondContact O-N 2.92Å |
| 96 | Q | 94.7 | Very high | 93.1 | Very high | 101 Ų | 101 | 44.5 Ų | 44.5 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -137.5 | 153.2 | 175.8 | -75.2 | -68.3 | -24.9 | 0 | 0 | 108.6 | L94 F98 | L94-Q96 WeakPolarHBondContact CB-O 3.41Å; Q96-F98 HydrophobicContact CB-CD1 3.79Å; Q96-F98 HydrophobicContact CB-CE1 4.17Å; Q96-F98 PolarHBondContact O-N 2.92Å |
| 97 | A | 96.2 | Very high | 92.8 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -76.5 | 69.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I20 V22 D23 | I20-A97 HydrophobicContact CD1-CB 3.81Å; I20-A97 HydrophobicContact CG1-CB 4.23Å; V22-A97 WeakPolarHBondContact CA-O 3.07Å; D23-A97 PolarHBondContact N-O 3.44Å |
| 98 | F | 97.8 | Very high | 92.6 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 23% | 0.228 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.2 | 174.1 | 82.3 | -82.9 | 0 | 0 | 0 | 111.3 | D23 L25 S72 V73 Q96 | D23-F98 HydrophobicContact CB-CB 4.07Å; D23-F98 CarbonylContact O-C 3.3Å; D23-F98 WeakPolarHBondContact O-CA 3.35Å; D23-F98 VanDerWaalsContact O-CB 3.28Å; D23-F98 WeakPolarHBondContact O-CB 3.28Å; L25-F98 HydrophobicContact CD1-CD2 3.9Å; L25-F98 HydrophobicContact CD1-CE2 4.21Å; S72-F98 WeakPolarHBondContact CB-O 3.12Å; S72-F98 PolarHBondContact OG-O 2.74Å; V73-F98 HydrophobicContact CB-CE1 4.34Å; V73-F98 HydrophobicContact CB-CZ 4.2Å; V73-F98 HydrophobicContact CG2-CZ 3.98Å; Q96-F98 HydrophobicContact CB-CD1 3.79Å; Q96-F98 HydrophobicContact CB-CE1 4.17Å; Q96-F98 PolarHBondContact O-N 2.92Å |
| 99 | L | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132.3 | 175.4 | -65.5 | 173.6 | 0 | 0 | 0 | 109.2 | V22 D23 C24 L25 L42 V45 F70 F82 L92 L94 | V22-L99 HydrophobicContact CG1-CB 4.49Å; V22-L99 HydrophobicContact CG1-CD1 4.16Å; V22-L99 HydrophobicContact CG1-CG 4Å; D23-L99 PolarHBondContact O-N 2.82Å; C24-L99 CarbonylContact C-O 3.58Å; C24-L99 VanDerWaalsContact CA-O 3.24Å; C24-L99 WeakPolarHBondContact CA-O 2.95Å; L25-L99 PolarHBondContact N-O 2.85Å; L42-L99 HydrophobicContact CD2-CD1 3.89Å; L42-L99 HydrophobicContact CD2-CD2 4.44Å; V45-L99 HydrophobicContact CG1-CD1 3.9Å; F70-L99 HydrophobicContact CB-CD2 4.35Å; F70-L99 HydrophobicContact CD1-CB 3.69Å; F70-L99 HydrophobicContact CD1-CD1 4.21Å; F70-L99 HydrophobicContact CD1-CG 4.44Å; F70-L99 HydrophobicContact CD2-CD1 4.26Å; F70-L99 HydrophobicContact CE1-CB 3.97Å; F70-L99 HydrophobicContact CE1-CD1 4.2Å; F70-L99 HydrophobicContact CE2-CD1 4.22Å; F70-L99 HydrophobicContact CG-CB 4.26Å; F70-L99 HydrophobicContact CG-CD1 4.23Å; F70-L99 HydrophobicContact CZ-CD1 4.19Å; F82-L99 HydrophobicContact CD2-CD2 4.42Å; F82-L99 HydrophobicContact CE2-CD2 4.04Å; L92-L99 HydrophobicContact CD1-CD2 4.38Å; L94-L99 HydrophobicContact CD1-CD2 4.44Å |
| 100 | K | 98.4 | Very high | 92.1 | Very high | 89 Ų | 89 | 56.9 Ų | 56.9 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 135.6 | 173.5 | 179.1 | 176.5 | -179.1 | 172.5 | 0 | 110.2 | L25 F70 V71 I102 | L25-K100 HydrophobicContact CB-CB 4.04Å; L25-K100 HydrophobicContact CB-CG 4.02Å; L25-K100 HydrophobicContact CD1-CB 4.2Å; F70-K100 CarbonylContact C-O 3.56Å; F70-K100 WeakPolarHBondContact CA-O 3.42Å; V71-K100 HydrophobicContact CG1-CB 3.68Å; V71-K100 HydrophobicContact CG1-CD 4.18Å; V71-K100 HydrophobicContact CG1-CG 3.99Å; V71-K100 PolarHBondContact N-O 3.17Å; V71-K100 WeakPolarHBondContact O-CB 3.37Å; V71-K100 PolarHBondContact O-N 2.81Å; K100-I102 HydrophobicContact CD-CG2 4.24Å; K100-I102 HydrophobicContact CG-CG2 4.04Å |
| 101 | V | 97.8 | Very high | 92 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.7 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 109 | L25 L26 P27 L49 F50 Y68 F70 | L25-V101 PolarHBondContact O-N 3.35Å; L26-V101 HydrophobicContact CD2-CB 4.43Å; L26-V101 HydrophobicContact CD2-CG2 3.96Å; P27-V101 HydrophobicContact CG-CG1 4.37Å; L49-V101 HydrophobicContact CD2-CG2 3.69Å; F50-V101 HydrophobicContact CE2-CG1 4.25Å; F50-V101 HydrophobicContact CZ-CG1 4.05Å; Y68-V101 HydrophobicContact CD1-CG1 3.73Å; Y68-V101 HydrophobicContact CD2-CG1 4.27Å; Y68-V101 HydrophobicContact CE1-CG1 4.47Å; Y68-V101 HydrophobicContact CG-CG1 3.6Å; F70-V101 HydrophobicContact CD1-CG2 3.94Å; F70-V101 HydrophobicContact CE1-CG2 3.61Å |
| 102 | I | 96.6 | Very high | 92 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156.4 | 179.3 | 63.1 | 164.3 | 0 | 0 | 0 | 111.4 | Y68 I69 V71 E81 K100 | Y68-I102 WeakPolarHBondContact CA-O 3.45Å; I69-I102 HydrophobicContact CD1-CD1 4.45Å; I69-I102 HydrophobicContact CD1-CG1 4.46Å; I69-I102 HydrophobicContact CG1-CD1 4.4Å; I69-I102 HydrophobicContact CG1-CG1 3.88Å; I69-I102 PolarHBondContact N-O 3.13Å; I69-I102 PolarHBondContact O-N 3.39Å; V71-I102 HydrophobicContact CB-CD1 3.85Å; V71-I102 HydrophobicContact CB-CG1 4.17Å; V71-I102 HydrophobicContact CG1-CB 4.47Å; V71-I102 HydrophobicContact CG1-CD1 3.87Å; V71-I102 HydrophobicContact CG1-CG1 3.96Å; V71-I102 HydrophobicContact CG1-CG2 3.7Å; V71-I102 HydrophobicContact CG2-CD1 4.37Å; E81-I102 HydrophobicContact CG-CD1 4.1Å; K100-I102 HydrophobicContact CD-CG2 4.24Å; K100-I102 HydrophobicContact CG-CG2 4.04Å |
| 103 | E | 94.3 | Very high | 92 | Very high | 104 Ų | 104 | 63.3 Ų | 63.3 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | trans | -74.6 | 139.3 | 164.5 | -66.1 | 177.1 | -132.8 | 0 | 0 | 109.2 | Q63 Y68 V105 | Q63-E103 PolarHBondContact NE2-OE1 2.77Å; Q63-E103 VanDerWaalsContact NE2-OE1 3.13Å; Y68-E103 HydrophobicContact CD1-CG 3.9Å; Y68-E103 HydrophobicContact CE1-CG 3.68Å; E103-V105 PolarHBondContact O-N 3.5Å | ||
| 104 | P | 89.6 | Confident | 92.2 | Very high | 69 Ų | 69 | 63.5 Ų | 63.5 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | trans | -67.8 | 131.2 | -178.6 | 27 | -33.7 | 0 | 0 | 0 | 111.4 | S67 I69 Y83 | S67-P104 VanDerWaalsContact O-CD 3.27Å; S67-P104 WeakPolarHBondContact O-CD 3.44Å; I69-P104 HydrophobicContact CD1-CB 4.01Å; I69-P104 HydrophobicContact CG1-CB 4.31Å; I69-P104 HydrophobicContact CG2-CB 4.49Å; Y83-P104 HydrophobicContact CE1-CB 3.91Å | ||
| 105 | V | 86.4 | Confident | 92.1 | Very high | 100 Ų | 100 | 66.4 Ų | 66.4 | 61% | 0.606 | 34% | 0.337 | S | S | * | . | trans | -121.3 | 144.1 | -178.9 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | Y83 E103 K111 | Y83-V105 PolarHBondContact OH-O 3.19Å; E103-V105 PolarHBondContact O-N 3.5Å; V105-K111 WeakPolarHBondContact O-CE 3.31Å; V105-K111 PolarHBondContact O-NZ 3.5Å | ||
| 106 | G | 82.3 | Confident | 92.1 | Very high | 64 Ų | 64 | 64.8 Ų | 64.8 | 66% | 0.66 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 84.9 | -169.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R108 | G106-R108 PolarHBondContact O-N 2.84Š|
| 107 | N | 86.2 | Confident | 92.2 | Very high | 91 Ų | 91 | 60 Ų | 60 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | trans | -76.5 | 107.8 | -179.4 | -174.3 | -26.1 | 0 | 0 | 0 | 110.7 | E109 E110 K111 | N107-E109 PolarHBondContact OD1-N 3.25Å; N107-E110 HydrophobicContact CB-CB 4.1Å; N107-E110 PolarHBondContact OD1-N 3.28Å; N107-K111 WeakPolarHBondContact O-CB 3.43Å; N107-K111 WeakPolarHBondContact O-CG 3.45Å; N107-K111 PolarHBondContact O-N 3.25Å; N107-K111 VanDerWaalsContact O-N 3.09Å | ||
| 108 | R | 87.8 | Confident | 92.1 | Very high | 156 Ų | 156 | 59.3 Ų | 59.3 | 59% | 0.589 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.8 | -46.2 | -179.7 | 179.5 | 178 | 179.1 | -176.6 | 2.2 | 112.9 | Y83 G106 K111 I112 | Y83-R108 HydrophobicContact CD1-CG 3.83Å; Y83-R108 HydrophobicContact CE1-CB 4.35Å; Y83-R108 HydrophobicContact CE1-CG 3.91Å; Y83-R108 HydrophobicContact CG-CG 4.46Å; G106-R108 PolarHBondContact O-N 2.84Å; R108-K111 PolarHBondContact O-N 2.65Å; R108-I112 HydrophobicContact CG-CD1 3.79Å; R108-I112 VanDerWaalsContact O-CG1 3.28Å; R108-I112 WeakPolarHBondContact O-CG1 3.5Å; R108-I112 PolarHBondContact O-N 2.81Å |
| 109 | E | 87.7 | Confident | 91.9 | Very high | 147 Ų | 147 | 58.1 Ų | 58.1 | 69% | 0.687 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.1 | -43.8 | -175.6 | -66.3 | 179.6 | 175.4 | 0 | 0 | 111.4 | N107 I112 L113 | N107-E109 PolarHBondContact OD1-N 3.25Å; E109-I112 PolarHBondContact O-N 3.01Å; E109-L113 WeakPolarHBondContact O-CB 3.45Å; E109-L113 PolarHBondContact O-N 3.32Å |
| 110 | E | 89.3 | Confident | 91.8 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 177.8 | -174.6 | 175.1 | -172.6 | 0 | 0 | 111.8 | N107 L113 N114 S306 | N107-E110 HydrophobicContact CB-CB 4.1Å; N107-E110 PolarHBondContact OD1-N 3.28Å; E110-L113 PolarHBondContact O-N 2.76Å; E110-N114 VanDerWaalsContact O-CB 3.29Å; E110-N114 WeakPolarHBondContact O-CB 3.33Å; E110-N114 PolarHBondContact O-N 3.37Å; E110-N114 PolarHBondContact O-ND2 3.5Å; E110-S306 WeakPolarHBondContact OE1-CB 3.28Å; E110-S306 PolarHBondContact OE1-N 2.91Å; E110-S306 PolarHBondContact OE1-OG 2.72Å; E110-S306 WeakPolarHBondContact OE2-CB 3.26Å |
| 111 | K | 89.6 | Confident | 91.7 | Very high | 66 Ų | 66 | 53.9 Ų | 53.9 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 176.5 | -78.1 | -178.7 | 162.8 | -169.6 | 0 | 112.5 | E81 Y83 V105 N107 R108 N114 R115 | E81-K111 IonicContact OE1-NZ 3.61Å; E81-K111 PolarHBondContact OE1-NZ 3.33Å; E81-K111 IonicContact OE2-NZ 3.55Å; E81-K111 PolarHBondContact OE2-NZ 3.29Å; Y83-K111 HydrophobicContact CD2-CB 4.44Å; Y83-K111 HydrophobicContact CE2-CB 3.8Å; Y83-K111 HydrophobicContact CE2-CD 3.8Å; Y83-K111 HydrophobicContact CE2-CG 4.48Å; Y83-K111 WeakPolarHBondContact OH-CD 3.28Å; V105-K111 WeakPolarHBondContact O-CE 3.31Å; V105-K111 PolarHBondContact O-NZ 3.5Å; N107-K111 WeakPolarHBondContact O-CB 3.43Å; N107-K111 WeakPolarHBondContact O-CG 3.45Å; N107-K111 PolarHBondContact O-N 3.25Å; N107-K111 VanDerWaalsContact O-N 3.09Å; R108-K111 PolarHBondContact O-N 2.65Å; K111-N114 PolarHBondContact O-N 3.48Å; K111-R115 PolarHBondContact O-N 3.29Å |
| 112 | I | 90.8 | Very high | 91.3 | Very high | 49 Ų | 49 | 54.1 Ų | 54.1 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 175.1 | -69.4 | 167.4 | 0 | 0 | 0 | 110 | Y83 R108 E109 N114 R115 E116 | Y83-I112 HydrophobicContact CD2-CG1 4.23Å; Y83-I112 HydrophobicContact CG-CD1 4.44Å; Y83-I112 HydrophobicContact CG-CG1 4.08Å; R108-I112 HydrophobicContact CG-CD1 3.79Å; R108-I112 VanDerWaalsContact O-CG1 3.28Å; R108-I112 WeakPolarHBondContact O-CG1 3.5Å; R108-I112 PolarHBondContact O-N 2.81Å; E109-I112 PolarHBondContact O-N 3.01Å; I112-N114 PolarHBondContact O-N 3.11Å; I112-R115 WeakPolarHBondContact O-CB 3.23Å; I112-R115 PolarHBondContact O-N 2.82Å; I112-E116 PolarHBondContact O-N 2.83Å |
| 113 | L | 92.4 | Very high | 91 | Very high | 51 Ų | 51 | 53.7 Ų | 53.7 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 179.8 | -179.8 | 60 | 0 | 0 | 0 | 111.9 | E109 E110 R115 E116 I117 L699 | E109-L113 WeakPolarHBondContact O-CB 3.45Å; E109-L113 PolarHBondContact O-N 3.32Å; E110-L113 PolarHBondContact O-N 2.76Å; L113-R115 VanDerWaalsContact C-N 3.27Å; L113-R115 PolarHBondContact O-N 2.76Å; L113-E116 PolarHBondContact O-N 2.83Å; L113-I117 HydrophobicContact CD1-CD1 4.03Å; L113-I117 HydrophobicContact CD1-CG1 4.15Å; L113-I117 HydrophobicContact CD2-CD1 4.44Å; L113-I117 HydrophobicContact CG-CD1 3.75Å; L113-I117 HydrophobicContact CG-CG1 4.35Å; L113-I117 WeakPolarHBondContact O-CD1 3.39Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 3.3Å; L113-L699 HydrophobicContact CD1-CD2 3.78Å |
| 114 | N | 93.6 | Very high | 90.8 | Very high | 34 Ų | 34 | 49 Ų | 49 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -35.5 | 176.7 | -75.2 | -14.6 | 0 | 0 | 0 | 112 | E110 K111 I112 G118 I125 R693 | E110-N114 VanDerWaalsContact O-CB 3.29Å; E110-N114 WeakPolarHBondContact O-CB 3.33Å; E110-N114 PolarHBondContact O-N 3.37Å; E110-N114 PolarHBondContact O-ND2 3.5Å; K111-N114 PolarHBondContact O-N 3.48Å; I112-N114 PolarHBondContact O-N 3.11Å; N114-G118 PolarHBondContact O-N 2.88Å; N114-I125 HydrophobicContact CB-CB 4.3Å; N114-I125 HydrophobicContact CB-CG1 4.33Å; N114-R693 PolarHBondContact OD1-NH1 2.97Å; N114-R693 PolarHBondContact OD1-NH2 3.02Å |
| 115 | R | 90.5 | Very high | 91 | Very high | 62 Ų | 62 | 46 Ų | 46 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.9 | -45.8 | 173.2 | -170.8 | -86.1 | -92.4 | 162.2 | 1.4 | 111.6 | E80 D84 R87 K111 I112 L113 I117 G118 F119 | E80-R115 WeakPolarHBondContact OE1-CG 3.45Å; E80-R115 IonicContact OE1-NE 2.82Å; D84-R115 IonicContact OD2-NH2 3.37Å; D84-R115 PolarHBondContact OD2-NH2 3.33Å; R87-R115 VanDerWaalsContact CD-NH2 3.25Å; K111-R115 PolarHBondContact O-N 3.29Å; I112-R115 WeakPolarHBondContact O-CB 3.23Å; I112-R115 PolarHBondContact O-N 2.82Å; L113-R115 VanDerWaalsContact C-N 3.27Å; L113-R115 PolarHBondContact O-N 2.76Å; R115-I117 VanDerWaalsContact C-N 3.33Å; R115-I117 PolarHBondContact O-N 3.47Å; R115-G118 PolarHBondContact O-N 3.09Å; R115-F119 VanDerWaalsContact O-CB 3.27Å; R115-F119 WeakPolarHBondContact O-CB 3.2Å; R115-F119 PolarHBondContact O-N 3.41Å |
| 116 | E | 93.9 | Very high | 91.1 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 20% | 0.201 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 177.2 | -71.1 | -177.7 | -174.6 | 0 | 0 | 111.4 | I112 L113 F119 A120 L699 | I112-E116 PolarHBondContact O-N 2.83Å; L113-E116 PolarHBondContact O-N 2.83Å; E116-F119 PolarHBondContact O-N 3.14Å; E116-A120 PolarHBondContact O-N 2.84Å; E116-L699 HydrophobicContact CB-CD2 3.95Å; E116-L699 HydrophobicContact CB-CG 4.46Å |
| 117 | I | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -50.4 | 175.2 | -63.3 | 161.5 | 0 | 0 | 0 | 110.4 | L113 R115 F119 A120 I121 I125 C692 R693 L699 | L113-I117 HydrophobicContact CD1-CD1 4.03Å; L113-I117 HydrophobicContact CD1-CG1 4.15Å; L113-I117 HydrophobicContact CD2-CD1 4.44Å; L113-I117 HydrophobicContact CG-CD1 3.75Å; L113-I117 HydrophobicContact CG-CG1 4.35Å; L113-I117 WeakPolarHBondContact O-CD1 3.39Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 3.3Å; R115-I117 VanDerWaalsContact C-N 3.33Å; R115-I117 PolarHBondContact O-N 3.47Å; I117-F119 VanDerWaalsContact C-N 3.26Å; I117-F119 PolarHBondContact O-N 2.88Å; I117-A120 PolarHBondContact O-N 2.87Å; I117-A120 VanDerWaalsContact O-N 3.13Å; I117-I121 HydrophobicContact CG2-CD1 3.5Å; I117-I121 HydrophobicContact CG2-CG1 4.15Å; I117-I121 VanDerWaalsContact O-CG1 3.28Å; I117-I121 WeakPolarHBondContact O-CG1 3.34Å; I117-I121 PolarHBondContact O-N 2.89Å; I117-I125 HydrophobicContact CB-CD1 4.39Å; I117-I125 HydrophobicContact CB-CG1 4.29Å; I117-I125 HydrophobicContact CG2-CD1 3.66Å; I117-I125 HydrophobicContact CG2-CG1 4.1Å; I117-C692 HydrophobicContact CB-CB 4.23Å; I117-C692 HydrophobicContact CG1-CB 3.83Å; I117-C692 HydrophobicContact CG2-CB 3.74Å; I117-R693 HydrophobicContact CD1-CB 4.45Å; I117-R693 HydrophobicContact CD1-CG 3.42Å; I117-R693 VanDerWaalsContact CD1-CG 3.42Å; I117-L699 HydrophobicContact CG1-CD2 3.88Å |
| 118 | G | 94.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -38.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N114 R115 I121 G122 M123 | N114-G118 PolarHBondContact O-N 2.88Å; R115-G118 PolarHBondContact O-N 3.09Å; G118-I121 PolarHBondContact O-N 3.38Å; G118-G122 WeakPolarHBondContact O-CA 3.39Å; G118-G122 PolarHBondContact O-N 3.3Å; G118-M123 WeakPolarHBondContact CA-O 3.36Å; G118-M123 PolarHBondContact O-N 3.01Å; G118-M123 VanDerWaalsContact O-N 3.13Å |
| 119 | F | 92.9 | Very high | 91.8 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -48.7 | 173.3 | -179.5 | -84.2 | 0 | 0 | 0 | 112.1 | R93 R115 E116 I117 I121 G122 S703 V706 E707 | R93-F119 VanDerWaalsContact NH2-CZ 3.32Å; R115-F119 VanDerWaalsContact O-CB 3.27Å; R115-F119 WeakPolarHBondContact O-CB 3.2Å; R115-F119 PolarHBondContact O-N 3.41Å; E116-F119 PolarHBondContact O-N 3.14Å; I117-F119 VanDerWaalsContact C-N 3.26Å; I117-F119 PolarHBondContact O-N 2.88Å; F119-I121 PolarHBondContact O-N 3.44Å; F119-G122 PolarHBondContact O-N 2.74Å; F119-S703 WeakPolarHBondContact CE1-O 3.3Å; F119-V706 HydrophobicContact CD1-CG1 4.35Å; F119-V706 HydrophobicContact CE1-CB 4.12Å; F119-V706 HydrophobicContact CE1-CG1 3.88Å; F119-E707 HydrophobicContact CE1-CB 4.29Å; F119-E707 HydrophobicContact CZ-CB 3.91Å; F119-E707 HydrophobicContact CZ-CG 4.42Å |
| 120 | A | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E116 I117 F668 K672 L699 | E116-A120 PolarHBondContact O-N 2.84Å; I117-A120 PolarHBondContact O-N 2.87Å; I117-A120 VanDerWaalsContact O-N 3.13Å; A120-F668 HydrophobicContact CB-CE2 4.01Å; A120-F668 HydrophobicContact CB-CZ 4.1Å; A120-F668 WeakPolarHBondContact O-CZ 3.39Å; A120-K672 WeakPolarHBondContact O-CD 3.49Å; A120-K672 VanDerWaalsContact O-CE 3.31Å; A120-K672 WeakPolarHBondContact O-CE 3.33Å; A120-L699 HydrophobicContact CB-CD1 3.8Å |
| 121 | I | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.5 | -33.8 | 177.2 | -63.2 | 177.4 | 0 | 0 | 0 | 111.4 | I117 G118 F119 M123 I125 K672 M675 L688 E689 | I117-I121 HydrophobicContact CG2-CD1 3.5Å; I117-I121 HydrophobicContact CG2-CG1 4.15Å; I117-I121 VanDerWaalsContact O-CG1 3.28Å; I117-I121 WeakPolarHBondContact O-CG1 3.34Å; I117-I121 PolarHBondContact O-N 2.89Å; G118-I121 PolarHBondContact O-N 3.38Å; F119-I121 PolarHBondContact O-N 3.44Å; I121-M123 HydrophobicContact CG2-CB 3.96Å; I121-I125 HydrophobicContact CD1-CD1 4.03Å; I121-K672 WeakPolarHBondContact O-CD 3.17Å; I121-K672 WeakPolarHBondContact O-CE 3.45Å; I121-K672 PolarHBondContact O-NZ 3.42Å; I121-M675 HydrophobicContact CG2-CE 3.77Å; I121-L688 HydrophobicContact CD1-CB 3.97Å; I121-L688 HydrophobicContact CG1-CB 3.76Å; I121-L688 HydrophobicContact CG2-CD1 4.4Å; I121-E689 HydrophobicContact CD1-CB 4.08Å |
| 122 | G | 90.8 | Very high | 92 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 29.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G118 F119 | G118-G122 WeakPolarHBondContact O-CA 3.39Å; G118-G122 PolarHBondContact O-N 3.3Å; F119-G122 PolarHBondContact O-N 2.74Å |
| 123 | M | 89.8 | Confident | 92 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.069 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -153.2 | 134.2 | 174.5 | -177.9 | -178.7 | -67.2 | 0 | 0 | 109.2 | G118 I121 E127 F128 M675 | G118-M123 WeakPolarHBondContact CA-O 3.36Å; G118-M123 PolarHBondContact O-N 3.01Å; G118-M123 VanDerWaalsContact O-N 3.13Å; I121-M123 HydrophobicContact CG2-CB 3.96Å; M123-E127 HydrophobicContact CG-CG 4.39Å; M123-F128 HydrophobicContact SD-CE1 4.11Å; M123-F128 HydrophobicContact SD-CZ 3.82Å; M123-M675 HydrophobicContact CE-CE 4.03Å |
| 124 | P | 90.4 | Very high | 92 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | trans | -62.2 | 138.9 | 177.1 | -27 | 36.4 | 0 | 0 | 0 | 113.9 | E76 E78 C126 E127 | E76-P124 HydrophobicContact CB-CG 4.02Å; E76-P124 WeakPolarHBondContact OE2-CD 3.49Å; E76-P124 VanDerWaalsContact OE2-CG 3.3Å; E76-P124 WeakPolarHBondContact OE2-CG 3.4Å; E78-P124 HydrophobicContact CB-CG 4.19Å; E78-P124 VanDerWaalsContact OE2-CB 3.24Å; E78-P124 WeakPolarHBondContact OE2-CB 3.18Å; E78-P124 VanDerWaalsContact OE2-CG 3.28Å; E78-P124 WeakPolarHBondContact OE2-CG 3.47Å; P124-C126 VanDerWaalsContact C-N 3.25Å; P124-C126 PolarHBondContact O-N 3.29Å; P124-E127 HydrophobicContact CB-CG 4.23Å; P124-E127 WeakPolarHBondContact O-CB 3.33Å; P124-E127 PolarHBondContact O-N 2.91Å | ||
| 125 | I | 92.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -31.5 | 176.4 | -66.9 | -50.9 | 0 | 0 | 0 | 112.4 | N114 I117 I121 E127 F128 E689 | N114-I125 HydrophobicContact CB-CB 4.3Å; N114-I125 HydrophobicContact CB-CG1 4.33Å; I117-I125 HydrophobicContact CB-CD1 4.39Å; I117-I125 HydrophobicContact CB-CG1 4.29Å; I117-I125 HydrophobicContact CG2-CD1 3.66Å; I117-I125 HydrophobicContact CG2-CG1 4.1Å; I121-I125 HydrophobicContact CD1-CD1 4.03Å; I125-E127 PolarHBondContact O-N 2.98Å; I125-E127 VanDerWaalsContact O-N 3.15Å; I125-F128 HydrophobicContact CD1-CD2 4.18Å; I125-F128 HydrophobicContact CD1-CE2 4.23Å; I125-F128 PolarHBondContact O-N 3.02Å; I125-E689 HydrophobicContact CD1-CB 4.17Å; I125-E689 HydrophobicContact CD1-CG 3.82Å |
| 126 | C | 89.4 | Confident | 92.4 | Very high | 47 Ų | 47 | 37.9 Ų | 37.9 | 32% | 0.318 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.2 | -22.1 | 178.5 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | E78 P124 F128 D129 L130 | E78-C126 PolarHBondContact OE1-SG 3.34Å; P124-C126 VanDerWaalsContact C-N 3.25Å; P124-C126 PolarHBondContact O-N 3.29Å; C126-F128 VanDerWaalsContact C-N 3.29Å; C126-F128 PolarHBondContact O-N 3.22Å; C126-D129 PolarHBondContact O-N 2.63Å; C126-L130 WeakPolarHBondContact O-CG 3.44Å; C126-L130 PolarHBondContact O-N 2.68Å |
| 127 | E | 89.7 | Confident | 92.4 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 173.9 | -65.6 | -145.9 | 170.3 | 0 | 0 | 111.3 | M1 M123 P124 I125 D129 L130 V131 | M1-E127 WeakPolarHBondContact CB-OE1 3.44Å; M1-E127 PolarHBondContact N-OE1 3.17Å; M1-E127 PolarHBondContact N-OE2 2.96Å; M123-E127 HydrophobicContact CG-CG 4.39Å; P124-E127 HydrophobicContact CB-CG 4.23Å; P124-E127 WeakPolarHBondContact O-CB 3.33Å; P124-E127 PolarHBondContact O-N 2.91Å; I125-E127 PolarHBondContact O-N 2.98Å; I125-E127 VanDerWaalsContact O-N 3.15Å; E127-D129 VanDerWaalsContact C-N 3.32Å; E127-D129 PolarHBondContact O-N 3.08Å; E127-L130 PolarHBondContact O-N 3.1Å; E127-V131 WeakPolarHBondContact O-CG2 3.44Å |
| 128 | F | 92.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.022 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.2 | -30.4 | 176.7 | -59.7 | -53.1 | 0 | 0 | 0 | 112.6 | M123 I125 C126 L130 V131 Q137 L686 | M123-F128 HydrophobicContact SD-CE1 4.11Å; M123-F128 HydrophobicContact SD-CZ 3.82Å; I125-F128 HydrophobicContact CD1-CD2 4.18Å; I125-F128 HydrophobicContact CD1-CE2 4.23Å; I125-F128 PolarHBondContact O-N 3.02Å; C126-F128 VanDerWaalsContact C-N 3.29Å; C126-F128 PolarHBondContact O-N 3.22Å; F128-L130 PolarHBondContact O-N 3.38Å; F128-V131 PolarHBondContact O-N 3.43Å; F128-Q137 PolarHBondContact O-NE2 2.81Å; F128-L686 HydrophobicContact CB-CD2 4.19Å; F128-L686 HydrophobicContact CD1-CD2 3.49Å; F128-L686 VanDerWaalsContact CD1-CD2 3.49Å; F128-L686 HydrophobicContact CD1-CG 4.01Å; F128-L686 HydrophobicContact CD2-CD2 4.24Å; F128-L686 HydrophobicContact CE1-CD2 3.88Å; F128-L686 HydrophobicContact CE1-CG 3.92Å; F128-L686 HydrophobicContact CG-CD2 3.72Å; F128-L686 HydrophobicContact CZ-CD2 4.42Å; F128-L686 HydrophobicContact CZ-CG 4.44Å |
| 129 | D | 89.1 | Confident | 92.5 | Very high | 54 Ų | 54 | 38.6 Ų | 38.6 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.1 | -26 | 176 | -65.8 | -28.8 | 0 | 0 | 0 | 112.6 | C126 E127 R140 | C126-D129 PolarHBondContact O-N 2.63Å; E127-D129 VanDerWaalsContact C-N 3.32Å; E127-D129 PolarHBondContact O-N 3.08Å; D129-R140 IonicContact OD1-CZ 2.97Å; D129-R140 IonicContact OD1-NH1 3.99Å; D129-R140 PolarHBondContact OD1-NH1 3.47Å; D129-R140 IonicContact OD1-NH2 3.79Å; D129-R140 PolarHBondContact OD1-NH2 3.06Å; D129-R140 VanDerWaalsContact OD1-NH2 3.09Å |
| 130 | L | 89.4 | Confident | 92.6 | Very high | 140 Ų | 140 | 37.4 Ų | 37.4 | 73% | 0.733 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -11.9 | -179.8 | -64.9 | 172.7 | 0 | 0 | 0 | 113.4 | C126 E127 F128 K132 | C126-L130 WeakPolarHBondContact O-CG 3.44Å; C126-L130 PolarHBondContact O-N 2.68Å; E127-L130 PolarHBondContact O-N 3.1Å; F128-L130 PolarHBondContact O-N 3.38Å; L130-K132 PolarHBondContact O-N 3.31Å |
| 131 | V | 90.6 | Very high | 92.6 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 21% | 0.212 | 20% | 0.202 | C | C | . | . | trans | -69.8 | 121 | 179.4 | 179 | 0 | 0 | 0 | 0 | 109.9 | E127 F128 D133 V136 Q137 | E127-V131 WeakPolarHBondContact O-CG2 3.44Å; F128-V131 PolarHBondContact O-N 3.43Å; V131-D133 VanDerWaalsContact C-N 3.34Å; V131-D133 HydrophobicContact CG1-CB 3.73Å; V131-V136 HydrophobicContact CB-CG1 4.11Å; V131-V136 HydrophobicContact CG1-CB 3.94Å; V131-V136 HydrophobicContact CG1-CG1 3.92Å; V131-V136 HydrophobicContact CG1-CG2 3.96Å; V131-Q137 PolarHBondContact O-NE2 2.85Å | ||
| 132 | K | 89.8 | Confident | 92.6 | Very high | 209 Ų | 209 | 42.5 Ų | 42.5 | 91% | 0.909 | 22% | 0.219 | S | C | * | . | trans | -81 | -12.8 | -179.4 | -64.8 | -174.1 | 178.4 | -177.1 | 0 | 114.3 | L130 S134 | L130-K132 PolarHBondContact O-N 3.31Å; K132-S134 PolarHBondContact O-N 3.39Å | ||
| 133 | D | 91.4 | Very high | 93 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 41% | 0.412 | 22% | 0.216 | S | C | . | . | trans | -62.8 | 124.7 | 178.7 | -166.6 | -31.5 | 0 | 0 | 0 | 110.5 | V131 E135 V136 Q137 | V131-D133 VanDerWaalsContact C-N 3.34Å; V131-D133 HydrophobicContact CG1-CB 3.73Å; D133-E135 VanDerWaalsContact C-N 3.35Å; D133-E135 WeakPolarHBondContact OD1-CB 3.29Å; D133-E135 PolarHBondContact OD1-N 3.03Å; D133-V136 HydrophobicContact CB-CB 4.23Å; D133-V136 HydrophobicContact CB-CG2 3.98Å; D133-V136 PolarHBondContact O-N 2.97Å; D133-Q137 PolarHBondContact O-N 2.77Å | ||
| 134 | S | 92.4 | Very high | 93.3 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.6 | -32.7 | -178.9 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | K132 V136 Q137 D138 Y432 | K132-S134 PolarHBondContact O-N 3.39Å; S134-V136 VanDerWaalsContact C-N 3.28Å; S134-V136 PolarHBondContact O-N 3.26Å; S134-Q137 PolarHBondContact O-N 3.39Å; S134-D138 WeakPolarHBondContact O-CB 3.4Å; S134-D138 PolarHBondContact O-N 3.1Å; S134-Y432 WeakPolarHBondContact CB-OH 3.28Å; S134-Y432 PolarHBondContact OG-OH 3.13Å |
| 135 | E | 95.9 | Very high | 93.7 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.4 | -170.8 | -176.7 | 164.5 | 0 | 0 | 110.3 | D133 D138 F139 Y432 Y644 L645 | D133-E135 VanDerWaalsContact C-N 3.35Å; D133-E135 WeakPolarHBondContact OD1-CB 3.29Å; D133-E135 PolarHBondContact OD1-N 3.03Å; E135-D138 PolarHBondContact O-N 2.68Å; E135-F139 VanDerWaalsContact O-CB 3.29Å; E135-F139 WeakPolarHBondContact O-CB 3.28Å; E135-F139 PolarHBondContact O-N 3.31Å; E135-Y432 HydrophobicContact CB-CD1 3.65Å; E135-Y432 HydrophobicContact CB-CE1 3.78Å; E135-Y432 HydrophobicContact CB-CG 4.12Å; E135-Y432 HydrophobicContact CG-CD1 3.82Å; E135-Y432 HydrophobicContact CG-CD2 4.3Å; E135-Y432 HydrophobicContact CG-CE1 4.36Å; E135-Y432 HydrophobicContact CG-CG 3.78Å; E135-Y644 WeakPolarHBondContact OE1-CA 3.32Å; E135-Y644 WeakPolarHBondContact OE1-CB 3.33Å; E135-L645 HydrophobicContact CG-CB 4.45Å; E135-L645 HydrophobicContact CG-CD1 4.17Å; E135-L645 HydrophobicContact CG-CG 4.38Å; E135-L645 PolarHBondContact OE1-N 3.38Å |
| 136 | V | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -47.3 | 177.2 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | V131 D133 S134 F139 R140 L645 Q682 L686 | V131-V136 HydrophobicContact CB-CG1 4.11Å; V131-V136 HydrophobicContact CG1-CB 3.94Å; V131-V136 HydrophobicContact CG1-CG1 3.92Å; V131-V136 HydrophobicContact CG1-CG2 3.96Å; D133-V136 HydrophobicContact CB-CB 4.23Å; D133-V136 HydrophobicContact CB-CG2 3.98Å; D133-V136 PolarHBondContact O-N 2.97Å; S134-V136 VanDerWaalsContact C-N 3.28Å; S134-V136 PolarHBondContact O-N 3.26Å; V136-F139 PolarHBondContact O-N 2.73Å; V136-R140 WeakPolarHBondContact O-CG 3.24Å; V136-R140 PolarHBondContact O-N 2.78Å; V136-R140 VanDerWaalsContact O-N 3.08Å; V136-L645 HydrophobicContact CB-CD1 4.38Å; V136-L645 HydrophobicContact CG2-CD1 3.7Å; V136-Q682 HydrophobicContact CG2-CG 4.46Å; V136-L686 HydrophobicContact CB-CD1 4.42Å; V136-L686 HydrophobicContact CG1-CD1 3.86Å; V136-L686 HydrophobicContact CG1-CD2 3.97Å; V136-L686 HydrophobicContact CG2-CD1 4.17Å |
| 137 | Q | 94.4 | Very high | 94.4 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71 | -36.2 | -178.5 | -59.9 | -55.3 | -30.1 | 0 | 0 | 112.4 | F128 V131 D133 S134 R141 | F128-Q137 PolarHBondContact O-NE2 2.81Å; V131-Q137 PolarHBondContact O-NE2 2.85Å; D133-Q137 PolarHBondContact O-N 2.77Å; S134-Q137 PolarHBondContact O-N 3.39Å; Q137-R141 VanDerWaalsContact O-CZ 3.25Å; Q137-R141 PolarHBondContact O-N 3.45Å; Q137-R141 PolarHBondContact O-NH1 3.3Å |
| 138 | D | 95 | Very high | 94.7 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -45.4 | 174.1 | -77.9 | -23.5 | 0 | 0 | 0 | 110.8 | S134 E135 R140 R141 N142 Y432 | S134-D138 WeakPolarHBondContact O-CB 3.4Å; S134-D138 PolarHBondContact O-N 3.1Å; E135-D138 PolarHBondContact O-N 2.68Å; D138-R140 PolarHBondContact O-N 3.46Å; D138-R141 PolarHBondContact O-N 3.3Å; D138-R141 IonicContact OD1-CZ 2.68Å; D138-R141 IonicContact OD1-NE 2.68Å; D138-R141 IonicContact OD1-NH2 3.1Å; D138-R141 PolarHBondContact OD1-NH2 3.08Å; D138-N142 VanDerWaalsContact O-CB 3.31Å; D138-N142 WeakPolarHBondContact O-CB 3.44Å; D138-N142 PolarHBondContact O-N 2.82Å; D138-N142 PolarHBondContact O-ND2 3.49Å; D138-Y432 HydrophobicContact CB-CE2 4.27Å; D138-Y432 WeakPolarHBondContact OD2-CE2 3.45Å; D138-Y432 PolarHBondContact OD2-OH 3.43Å |
| 139 | F | 97.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.5 | -51.5 | 174.4 | 174.3 | -94.4 | 0 | 0 | 0 | 111.3 | E135 V136 R141 N142 I143 L645 D646 L686 L687 | E135-F139 VanDerWaalsContact O-CB 3.29Å; E135-F139 WeakPolarHBondContact O-CB 3.28Å; E135-F139 PolarHBondContact O-N 3.31Å; V136-F139 PolarHBondContact O-N 2.73Å; F139-R141 PolarHBondContact O-N 3.35Å; F139-N142 PolarHBondContact O-N 2.77Å; F139-I143 HydrophobicContact CD1-CG2 4.48Å; F139-I143 HydrophobicContact CE1-CB 4.36Å; F139-I143 HydrophobicContact CE1-CG1 4.47Å; F139-I143 HydrophobicContact CE1-CG2 4.15Å; F139-I143 HydrophobicContact CE2-CB 4.23Å; F139-I143 HydrophobicContact CE2-CD1 4.06Å; F139-I143 HydrophobicContact CE2-CG1 4.12Å; F139-I143 HydrophobicContact CZ-CB 4.13Å; F139-I143 HydrophobicContact CZ-CD1 4.23Å; F139-I143 HydrophobicContact CZ-CG1 3.88Å; F139-I143 HydrophobicContact CZ-CG2 4.37Å; F139-I143 VanDerWaalsContact O-CB 3.27Å; F139-I143 WeakPolarHBondContact O-CB 3.4Å; F139-I143 WeakPolarHBondContact O-CG2 3.44Å; F139-I143 PolarHBondContact O-N 3.44Å; F139-L645 HydrophobicContact CB-CB 4.01Å; F139-L645 HydrophobicContact CB-CD1 4.28Å; F139-L645 HydrophobicContact CD2-CB 3.76Å; F139-L645 HydrophobicContact CE2-CB 4.44Å; F139-L645 VanDerWaalsContact CE2-O 3.29Å; F139-L645 WeakPolarHBondContact CE2-O 3.31Å; F139-L645 HydrophobicContact CG-CB 3.9Å; F139-D646 HydrophobicContact CD2-CB 3.96Å; F139-L686 HydrophobicContact CD1-CB 3.85Å; F139-L686 HydrophobicContact CD1-CD1 4.28Å; F139-L686 HydrophobicContact CE1-CB 3.6Å; F139-L687 HydrophobicContact CZ-CD1 4.38Å |
| 140 | R | 96.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.6 | -38.2 | -179.3 | -72.5 | 177.9 | 80.1 | -152.7 | 3.7 | 112.4 | D129 V136 D138 L144 Y307 L686 E689 | D129-R140 IonicContact OD1-CZ 2.97Å; D129-R140 IonicContact OD1-NH1 3.99Å; D129-R140 PolarHBondContact OD1-NH1 3.47Å; D129-R140 IonicContact OD1-NH2 3.79Å; D129-R140 PolarHBondContact OD1-NH2 3.06Å; D129-R140 VanDerWaalsContact OD1-NH2 3.09Å; V136-R140 WeakPolarHBondContact O-CG 3.24Å; V136-R140 PolarHBondContact O-N 2.78Å; V136-R140 VanDerWaalsContact O-N 3.08Å; D138-R140 PolarHBondContact O-N 3.46Å; R140-L144 WeakPolarHBondContact O-CG 3.47Å; R140-Y307 HydrophobicContact CB-CD2 4.32Å; R140-Y307 HydrophobicContact CB-CE2 3.92Å; R140-Y307 VanDerWaalsContact O-CE2 3.26Å; R140-Y307 WeakPolarHBondContact O-CE2 3.32Å; R140-L686 HydrophobicContact CG-CD2 3.54Å; R140-E689 IonicContact CZ-OE1 3.15Å; R140-E689 IonicContact CZ-OE2 2.67Å; R140-E689 IonicContact NE-OE1 2.85Å; R140-E689 IonicContact NE-OE2 3.4Å; R140-E689 PolarHBondContact NE-OE2 3.36Å; R140-E689 IonicContact NH2-OE1 2.7Å; R140-E689 PolarHBondContact NH2-OE1 2.92Å; R140-E689 IonicContact NH2-OE2 2.85Å |
| 141 | R | 95.5 | Very high | 95.6 | Very high | 43 Ų | 43 | 41.6 Ų | 41.6 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.2 | -52.2 | 176.7 | -71.8 | -174.5 | -69.4 | -87.7 | 1.3 | 112.1 | Q137 D138 F139 I143 L144 Y307 S312 | Q137-R141 VanDerWaalsContact O-CZ 3.25Å; Q137-R141 PolarHBondContact O-N 3.45Å; Q137-R141 PolarHBondContact O-NH1 3.3Å; D138-R141 PolarHBondContact O-N 3.3Å; D138-R141 IonicContact OD1-CZ 2.68Å; D138-R141 IonicContact OD1-NE 2.68Å; D138-R141 IonicContact OD1-NH2 3.1Å; D138-R141 PolarHBondContact OD1-NH2 3.08Å; F139-R141 PolarHBondContact O-N 3.35Å; R141-I143 VanDerWaalsContact C-N 3.32Å; R141-I143 PolarHBondContact O-N 3.21Å; R141-L144 WeakPolarHBondContact O-CB 3.39Å; R141-L144 PolarHBondContact O-N 3.22Å; R141-Y307 HydrophobicContact CG-CD2 4.32Å; R141-S312 PolarHBondContact NH2-OG 3.27Å; R141-S312 VanDerWaalsContact NH2-OG 3.16Å |
| 142 | N | 96.2 | Very high | 95.8 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 35% | 0.348 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.3 | -30.4 | -170.3 | -65.5 | -13.5 | 0 | 0 | 0 | 112.8 | D138 F139 L144 N145 D646 | D138-N142 VanDerWaalsContact O-CB 3.31Å; D138-N142 WeakPolarHBondContact O-CB 3.44Å; D138-N142 PolarHBondContact O-N 2.82Å; D138-N142 PolarHBondContact O-ND2 3.49Å; F139-N142 PolarHBondContact O-N 2.77Å; N142-L144 PolarHBondContact O-N 2.62Å; N142-N145 WeakPolarHBondContact O-CB 3.36Å; N142-N145 PolarHBondContact O-N 3.11Å; N142-D646 WeakPolarHBondContact CB-OD2 3.49Å |
| 143 | I | 98 | Very high | 96 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -22.1 | 179.4 | -159.7 | 62.3 | 0 | 0 | 0 | 112.4 | F139 R141 N145 V146 C147 R651 L654 | F139-I143 HydrophobicContact CD1-CG2 4.48Å; F139-I143 HydrophobicContact CE1-CB 4.36Å; F139-I143 HydrophobicContact CE1-CG1 4.47Å; F139-I143 HydrophobicContact CE1-CG2 4.15Å; F139-I143 HydrophobicContact CE2-CB 4.23Å; F139-I143 HydrophobicContact CE2-CD1 4.06Å; F139-I143 HydrophobicContact CE2-CG1 4.12Å; F139-I143 HydrophobicContact CZ-CB 4.13Å; F139-I143 HydrophobicContact CZ-CD1 4.23Å; F139-I143 HydrophobicContact CZ-CG1 3.88Å; F139-I143 HydrophobicContact CZ-CG2 4.37Å; F139-I143 VanDerWaalsContact O-CB 3.27Å; F139-I143 WeakPolarHBondContact O-CB 3.4Å; F139-I143 WeakPolarHBondContact O-CG2 3.44Å; F139-I143 PolarHBondContact O-N 3.44Å; R141-I143 VanDerWaalsContact C-N 3.32Å; R141-I143 PolarHBondContact O-N 3.21Å; I143-N145 PolarHBondContact O-N 3.02Å; I143-N145 VanDerWaalsContact O-N 3.15Å; I143-V146 HydrophobicContact CD1-CB 4.49Å; I143-V146 HydrophobicContact CD1-CG2 4.13Å; I143-V146 WeakPolarHBondContact O-CB 3.38Å; I143-V146 PolarHBondContact O-N 3.07Å; I143-C147 PolarHBondContact O-N 2.83Å; I143-R651 HydrophobicContact CD1-CG 4.06Å; I143-L654 HydrophobicContact CD1-CD2 3.71Å; I143-L654 HydrophobicContact CG1-CD2 3.41Å; I143-L654 VanDerWaalsContact CG1-CD2 3.41Å |
| 144 | L | 97.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -22.3 | 176.8 | -64.7 | 172.8 | 0 | 0 | 0 | 112.9 | R140 R141 N142 V146 C147 K148 F302 M304 P305 Y307 A308 | R140-L144 WeakPolarHBondContact O-CG 3.47Å; R141-L144 WeakPolarHBondContact O-CB 3.39Å; R141-L144 PolarHBondContact O-N 3.22Å; N142-L144 PolarHBondContact O-N 2.62Å; L144-V146 VanDerWaalsContact C-N 3.29Å; L144-V146 PolarHBondContact O-N 2.74Å; L144-C147 WeakPolarHBondContact O-CB 3.42Å; L144-C147 PolarHBondContact O-N 3.46Å; L144-K148 WeakPolarHBondContact O-CB 3.42Å; L144-K148 PolarHBondContact O-N 3.37Å; L144-F302 HydrophobicContact CD2-CZ 4.24Å; L144-M304 HydrophobicContact CB-CE 4.47Å; L144-M304 HydrophobicContact CB-SD 4.19Å; L144-M304 HydrophobicContact CD1-SD 4.08Å; L144-P305 HydrophobicContact CD1-CG 3.83Å; L144-P305 HydrophobicContact CD2-CG 4.12Å; L144-Y307 HydrophobicContact CD1-CE2 3.74Å; L144-Y307 HydrophobicContact CG-CE2 4.39Å; L144-A308 HydrophobicContact CD1-CB 3.74Å |
| 145 | N | 97.4 | Very high | 96 | Very high | 104 Ų | 104 | 35.7 Ų | 35.7 | 56% | 0.556 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -61.4 | -40.6 | 173 | -67.1 | -20.5 | 0 | 0 | 0 | 111.1 | N142 I143 K148 E149 | N142-N145 WeakPolarHBondContact O-CB 3.36Å; N142-N145 PolarHBondContact O-N 3.11Å; I143-N145 PolarHBondContact O-N 3.02Å; I143-N145 VanDerWaalsContact O-N 3.15Å; N145-K148 PolarHBondContact O-N 2.88Å; N145-E149 WeakPolarHBondContact O-CB 3.37Å; N145-E149 PolarHBondContact O-N 2.84Å |
| 146 | V | 98.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.4 | -42.9 | 176 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | I143 L144 K148 E149 A150 R651 L654 K655 | I143-V146 HydrophobicContact CD1-CB 4.49Å; I143-V146 HydrophobicContact CD1-CG2 4.13Å; I143-V146 WeakPolarHBondContact O-CB 3.38Å; I143-V146 PolarHBondContact O-N 3.07Å; L144-V146 VanDerWaalsContact C-N 3.29Å; L144-V146 PolarHBondContact O-N 2.74Å; V146-K148 VanDerWaalsContact C-N 3.34Å; V146-K148 PolarHBondContact O-N 2.85Å; V146-E149 PolarHBondContact O-N 3.49Å; V146-A150 WeakPolarHBondContact O-CB 3.3Å; V146-A150 PolarHBondContact O-N 3.4Å; V146-R651 HydrophobicContact CG2-CB 4Å; V146-R651 HydrophobicContact CG2-CG 3.94Å; V146-L654 HydrophobicContact CB-CD2 4.25Å; V146-L654 HydrophobicContact CG1-CB 4.24Å; V146-L654 HydrophobicContact CG1-CD2 4.1Å; V146-L654 HydrophobicContact CG1-CG 4.11Å; V146-K655 HydrophobicContact CG1-CB 3.77Å |
| 147 | C | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.4 | -49.4 | 175.2 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | I143 L144 A150 V151 F302 L658 S690 A694 | I143-C147 PolarHBondContact O-N 2.83Å; L144-C147 WeakPolarHBondContact O-CB 3.42Å; L144-C147 PolarHBondContact O-N 3.46Å; C147-A150 PolarHBondContact O-N 3.46Å; C147-V151 WeakPolarHBondContact O-CG2 3.49Å; C147-V151 PolarHBondContact O-N 3.5Å; C147-F302 HydrophobicContact CB-CE2 3.99Å; C147-F302 HydrophobicContact CB-CZ 3.75Å; C147-L658 HydrophobicContact CB-CD1 4.46Å; C147-S690 PolarHBondContact SG-O 3.42Å; C147-S690 VanDerWaalsContact SG-O 3.41Å; C147-A694 HydrophobicContact CB-CB 3.71Å |
| 148 | K | 96.6 | Very high | 95.2 | Very high | 83 Ų | 83 | 43 Ų | 43 | 36% | 0.361 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.2 | -46.5 | -178.9 | -177.2 | 53.8 | 177.6 | 156.8 | 0 | 111.8 | L144 N145 V146 A150 V151 D152 F302 M304 | L144-K148 WeakPolarHBondContact O-CB 3.42Å; L144-K148 PolarHBondContact O-N 3.37Å; N145-K148 PolarHBondContact O-N 2.88Å; V146-K148 VanDerWaalsContact C-N 3.34Å; V146-K148 PolarHBondContact O-N 2.85Å; K148-A150 VanDerWaalsContact C-N 3.34Å; K148-A150 PolarHBondContact O-N 2.66Å; K148-V151 PolarHBondContact O-N 3.08Å; K148-D152 WeakPolarHBondContact CE-OD1 3.45Å; K148-D152 WeakPolarHBondContact CE-OD2 3.49Å; K148-D152 IonicContact NZ-OD1 3.75Å; K148-D152 PolarHBondContact NZ-OD1 3.33Å; K148-D152 IonicContact NZ-OD2 3.45Å; K148-D152 PolarHBondContact NZ-OD2 3.5Å; K148-D152 WeakPolarHBondContact O-CB 3.35Å; K148-D152 VanDerWaalsContact O-CG 3.22Å; K148-D152 PolarHBondContact O-N 3.18Å; K148-F302 HydrophobicContact CB-CE1 4.31Å; K148-F302 HydrophobicContact CD-CD1 4.2Å; K148-F302 HydrophobicContact CD-CE1 4.43Å; K148-M304 HydrophobicContact CB-CE 4.03Å; K148-M304 HydrophobicContact CG-CE 4.29Å |
| 149 | E | 97.1 | Very high | 95 | Very high | 98 Ų | 98 | 44 Ų | 44 | 46% | 0.458 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 177.2 | -170.5 | -169.3 | 179 | 0 | 0 | 111.9 | N145 V146 D152 L153 K655 | N145-E149 WeakPolarHBondContact O-CB 3.37Å; N145-E149 PolarHBondContact O-N 2.84Å; V146-E149 PolarHBondContact O-N 3.49Å; E149-D152 PolarHBondContact O-N 2.99Å; E149-L153 WeakPolarHBondContact O-CB 3.22Å; E149-L153 PolarHBondContact O-N 2.9Å; E149-K655 WeakPolarHBondContact OE1-CE 3.49Å; E149-K655 IonicContact OE1-NZ 3.38Å; E149-K655 PolarHBondContact OE1-NZ 2.95Å; E149-K655 IonicContact OE2-NZ 2.7Å; E149-K655 PolarHBondContact OE2-NZ 3.41Å; E149-K655 VanDerWaalsContact OE2-NZ 3.17Å |
| 150 | A | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66 | -42.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V146 C147 K148 L153 R154 L658 T659 | V146-A150 WeakPolarHBondContact O-CB 3.3Å; V146-A150 PolarHBondContact O-N 3.4Å; C147-A150 PolarHBondContact O-N 3.46Å; K148-A150 VanDerWaalsContact C-N 3.34Å; K148-A150 PolarHBondContact O-N 2.66Å; A150-L153 PolarHBondContact O-N 3.06Å; A150-R154 WeakPolarHBondContact O-CG 3.39Å; A150-R154 PolarHBondContact O-N 3.23Å; A150-R154 VanDerWaalsContact O-N 3.13Å; A150-L658 HydrophobicContact CB-CB 3.51Å; A150-L658 HydrophobicContact CB-CD1 4.16Å; A150-T659 HydrophobicContact CB-CG2 4.01Å |
| 151 | V | 95.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | C147 K148 L153 R154 D155 F302 A694 | C147-V151 WeakPolarHBondContact O-CG2 3.49Å; C147-V151 PolarHBondContact O-N 3.5Å; K148-V151 PolarHBondContact O-N 3.08Å; V151-L153 VanDerWaalsContact C-N 3.26Å; V151-L153 PolarHBondContact O-N 3.35Å; V151-R154 WeakPolarHBondContact O-CB 3.45Å; V151-R154 PolarHBondContact O-N 3.36Å; V151-D155 PolarHBondContact O-N 2.77Å; V151-D155 VanDerWaalsContact O-N 3.15Å; V151-F302 HydrophobicContact CB-CB 4.29Å; V151-F302 HydrophobicContact CG1-CB 3.84Å; V151-F302 HydrophobicContact CG2-CB 3.73Å; V151-F302 HydrophobicContact CG2-CD1 4.37Å; V151-F302 HydrophobicContact CG2-CD2 4.19Å; V151-F302 HydrophobicContact CG2-CG 3.84Å; V151-A694 HydrophobicContact CG2-CB 4.41Å |
| 152 | D | 94.8 | Very high | 94.8 | Very high | 75 Ų | 75 | 46.7 Ų | 46.7 | 40% | 0.401 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | -178.7 | -68.1 | -18.6 | 0 | 0 | 0 | 111.6 | K148 E149 D155 S156 | K148-D152 WeakPolarHBondContact CE-OD1 3.45Å; K148-D152 WeakPolarHBondContact CE-OD2 3.49Å; K148-D152 IonicContact NZ-OD1 3.75Å; K148-D152 PolarHBondContact NZ-OD1 3.33Å; K148-D152 IonicContact NZ-OD2 3.45Å; K148-D152 PolarHBondContact NZ-OD2 3.5Å; K148-D152 WeakPolarHBondContact O-CB 3.35Å; K148-D152 VanDerWaalsContact O-CG 3.22Å; K148-D152 PolarHBondContact O-N 3.18Å; E149-D152 PolarHBondContact O-N 2.99Å; D152-D155 PolarHBondContact O-N 3.05Å; D152-S156 PolarHBondContact O-N 3.49Å; D152-S156 VanDerWaalsContact O-N 3.09Å |
| 153 | L | 94.8 | Very high | 94.8 | Very high | 94 Ų | 94 | 43.6 Ų | 43.6 | 49% | 0.492 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 174.8 | -174.2 | 62.6 | 0 | 0 | 0 | 112.3 | E149 A150 V151 D155 S156 T659 | E149-L153 WeakPolarHBondContact O-CB 3.22Å; E149-L153 PolarHBondContact O-N 2.9Å; A150-L153 PolarHBondContact O-N 3.06Å; V151-L153 VanDerWaalsContact C-N 3.26Å; V151-L153 PolarHBondContact O-N 3.35Å; L153-D155 VanDerWaalsContact C-N 3.28Å; L153-D155 PolarHBondContact O-N 3.27Å; L153-S156 WeakPolarHBondContact O-CB 3.46Å; L153-S156 PolarHBondContact O-N 3.08Å; L153-S156 PolarHBondContact O-OG 3.42Å; L153-T659 HydrophobicContact CD2-CG2 3.85Å |
| 154 | R | 93.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -31 | 177.5 | -67.6 | -178.7 | -61.5 | -155.4 | 18.6 | 112.7 | A150 V151 S161 R162 Y165 E300 L658 A694 | A150-R154 WeakPolarHBondContact O-CG 3.39Å; A150-R154 PolarHBondContact O-N 3.23Å; A150-R154 VanDerWaalsContact O-N 3.13Å; V151-R154 WeakPolarHBondContact O-CB 3.45Å; V151-R154 PolarHBondContact O-N 3.36Å; R154-S161 CarbonylContact O-C 3.54Å; R154-S161 WeakPolarHBondContact O-CB 3.1Å; R154-S161 PolarHBondContact O-OG 3.07Å; R154-R162 PolarHBondContact O-N 3.38Å; R154-Y165 VanDerWaalsContact CD-CG 3.4Å; R154-Y165 HydrophobicContact CG-CD2 4.42Å; R154-Y165 HydrophobicContact CG-CG 4.08Å; R154-E300 IonicContact CZ-OE2 2.69Å; R154-E300 IonicContact NE-OE2 2.95Å; R154-E300 IonicContact NH1-OE2 3.17Å; R154-E300 IonicContact NH2-OE2 3.93Å; R154-E300 PolarHBondContact NH2-OE2 3.39Å; R154-L658 VanDerWaalsContact CD-O 3.31Å; R154-L658 WeakPolarHBondContact CD-O 3Å; R154-L658 PolarHBondContact NH1-O 2.97Å; R154-A694 VanDerWaalsContact CZ-O 3.27Å; R154-A694 PolarHBondContact NH1-O 3.1Å; R154-A694 PolarHBondContact NH2-O 2.97Å |
| 155 | D | 90.1 | Very high | 94.6 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 34% | 0.337 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -89.9 | -12.4 | -178.1 | -67.9 | -28.4 | 0 | 0 | 0 | 113.4 | V151 D152 L153 N157 G158 R162 | V151-D155 PolarHBondContact O-N 2.77Å; V151-D155 VanDerWaalsContact O-N 3.15Å; D152-D155 PolarHBondContact O-N 3.05Å; L153-D155 VanDerWaalsContact C-N 3.28Å; L153-D155 PolarHBondContact O-N 3.27Å; D155-N157 PolarHBondContact O-N 2.75Å; D155-G158 PolarHBondContact O-N 3.07Å; D155-R162 WeakPolarHBondContact OD1-CD 3.34Å |
| 156 | S | 90.3 | Very high | 94.6 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 49% | 0.49 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -40.7 | -173.9 | 64 | 0 | 0 | 0 | 0 | 115.6 | D152 L153 | D152-S156 PolarHBondContact O-N 3.49Å; D152-S156 VanDerWaalsContact O-N 3.09Å; L153-S156 WeakPolarHBondContact O-CB 3.46Å; L153-S156 PolarHBondContact O-N 3.08Å; L153-S156 PolarHBondContact O-OG 3.42Å |
| 157 | N | 88.5 | Confident | 94.6 | Very high | 121 Ų | 121 | 43.4 Ų | 43.4 | 65% | 0.647 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 30.3 | -178.8 | -67.8 | -30 | 0 | 0 | 0 | 112.2 | D155 S161 | D155-N157 PolarHBondContact O-N 2.75Å; N157-S161 WeakPolarHBondContact CA-OG 3.41Å; N157-S161 PolarHBondContact N-OG 3.23Å; N157-S161 VanDerWaalsContact N-OG 3.13Å |
| 158 | G | 88.9 | Confident | 94.6 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | -137.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D155 H160 S161 R162 | D155-G158 PolarHBondContact O-N 3.07Å; G158-H160 VanDerWaalsContact C-N 3.29Å; G158-H160 PolarHBondContact O-N 2.7Å; G158-S161 PolarHBondContact N-OG 2.99Å; G158-S161 PolarHBondContact O-OG 2.72Å; G158-R162 PolarHBondContact O-NE 3.22Å |
| 159 | P | 92.1 | Very high | 94.6 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 31% | 0.312 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.9 | -23 | -175.2 | 28.3 | -34.1 | 0 | 0 | 0 | 113.8 | A163 Y294 | P159-A163 WeakPolarHBondContact O-CB 2.96Å; P159-A163 PolarHBondContact O-N 3.19Å; P159-Y294 HydrophobicContact CB-CD1 4.19Å; P159-Y294 HydrophobicContact CB-CD2 3.93Å; P159-Y294 HydrophobicContact CB-CE2 4.48Å; P159-Y294 HydrophobicContact CB-CG 3.78Å; P159-Y294 HydrophobicContact CG-CD2 3.9Å; P159-Y294 HydrophobicContact CG-CE2 4.25Å; P159-Y294 HydrophobicContact CG-CG 4.28Å |
| 160 | H | 94.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 38 Ų | 38 | 29% | 0.287 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.4 | -46.3 | -179.2 | 178.4 | 55.6 | 0 | 0 | 0 | 112.3 | G158 R162 A163 L164 E263 | G158-H160 VanDerWaalsContact C-N 3.29Å; G158-H160 PolarHBondContact O-N 2.7Å; H160-R162 VanDerWaalsContact C-N 3.31Å; H160-R162 PolarHBondContact O-N 2.54Å; H160-A163 WeakPolarHBondContact O-CB 3.28Å; H160-A163 PolarHBondContact O-N 3.06Å; H160-A163 VanDerWaalsContact O-N 3.11Å; H160-L164 WeakPolarHBondContact O-CG 3.47Å; H160-L164 PolarHBondContact O-N 2.82Å; H160-E263 IonicContact NE2-OE1 3.29Å |
| 161 | S | 94.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.8 | -36.2 | 175.3 | 44.9 | 0 | 0 | 0 | 0 | 112.2 | R154 N157 G158 L164 Y165 | R154-S161 CarbonylContact O-C 3.54Å; R154-S161 WeakPolarHBondContact O-CB 3.1Å; R154-S161 PolarHBondContact O-OG 3.07Å; N157-S161 WeakPolarHBondContact CA-OG 3.41Å; N157-S161 PolarHBondContact N-OG 3.23Å; N157-S161 VanDerWaalsContact N-OG 3.13Å; G158-S161 PolarHBondContact N-OG 2.99Å; G158-S161 PolarHBondContact O-OG 2.72Å; S161-L164 PolarHBondContact O-N 2.87Å; S161-Y165 PolarHBondContact O-N 3.44Å |
| 162 | R | 95 | Very high | 94.7 | Very high | 33 Ų | 33 | 40.8 Ų | 40.8 | 13% | 0.125 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 170.4 | -70.7 | -175.8 | -73.9 | 150.6 | -5.7 | 112.2 | R154 D155 G158 H160 L164 Y165 V166 L297 P298 | R154-R162 PolarHBondContact O-N 3.38Å; D155-R162 WeakPolarHBondContact OD1-CD 3.34Å; G158-R162 PolarHBondContact O-NE 3.22Å; H160-R162 VanDerWaalsContact C-N 3.31Å; H160-R162 PolarHBondContact O-N 2.54Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 PolarHBondContact O-N 2.71Å; R162-Y165 WeakPolarHBondContact O-CB 3.42Å; R162-Y165 PolarHBondContact O-N 3.41Å; R162-V166 WeakPolarHBondContact O-CG2 3.4Å; R162-V166 PolarHBondContact O-N 3.36Å; R162-V166 VanDerWaalsContact O-N 3.08Å; R162-L297 HydrophobicContact CB-CD1 4.48Å; R162-P298 PolarHBondContact NH1-O 3.36Å |
| 163 | A | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P159 H160 Y165 V166 Y167 L262 L293 Y294 L297 | P159-A163 WeakPolarHBondContact O-CB 2.96Å; P159-A163 PolarHBondContact O-N 3.19Å; H160-A163 WeakPolarHBondContact O-CB 3.28Å; H160-A163 PolarHBondContact O-N 3.06Å; H160-A163 VanDerWaalsContact O-N 3.11Å; A163-Y165 VanDerWaalsContact C-N 3.35Å; A163-V166 PolarHBondContact O-N 3.38Å; A163-Y167 WeakPolarHBondContact O-CA 3.24Å; A163-Y167 WeakPolarHBondContact O-CB 3.21Å; A163-Y167 PolarHBondContact O-N 3.26Å; A163-L262 HydrophobicContact CB-CD1 3.96Å; A163-L293 HydrophobicContact CB-CD2 4.41Å; A163-Y294 HydrophobicContact CB-CD1 4.24Å; A163-Y294 HydrophobicContact CB-CE1 3.84Å; A163-L297 HydrophobicContact CB-CD1 3.57Å |
| 164 | L | 96.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 38.2 Ų | 38.2 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67 | -34.6 | 175.9 | -69.7 | 172.4 | 0 | 0 | 0 | 112.6 | H160 S161 R162 P168 P169 L262 E263 | H160-L164 WeakPolarHBondContact O-CG 3.47Å; H160-L164 PolarHBondContact O-N 2.82Å; S161-L164 PolarHBondContact O-N 2.87Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 PolarHBondContact O-N 2.71Å; L164-P168 WeakPolarHBondContact O-CA 3.45Å; L164-P168 WeakPolarHBondContact O-CB 3.26Å; L164-P169 HydrophobicContact CD2-CG 4.4Å; L164-L262 HydrophobicContact CD2-CB 3.73Å; L164-L262 HydrophobicContact CD2-CD1 4.22Å; L164-E263 WeakPolarHBondContact CD1-OE1 3.4Å; L164-E263 HydrophobicContact CD2-CG 3.73Å |
| 165 | Y | 96.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -53 | 172.2 | 165.6 | -119.6 | 0 | 0 | 0 | 111.5 | R154 S161 R162 A163 P168 L658 Q661 C695 | R154-Y165 VanDerWaalsContact CD-CG 3.4Å; R154-Y165 HydrophobicContact CG-CD2 4.42Å; R154-Y165 HydrophobicContact CG-CG 4.08Å; S161-Y165 PolarHBondContact O-N 3.44Å; R162-Y165 WeakPolarHBondContact O-CB 3.42Å; R162-Y165 PolarHBondContact O-N 3.41Å; A163-Y165 VanDerWaalsContact C-N 3.35Å; Y165-P168 WeakPolarHBondContact O-CD 3.46Å; Y165-L658 WeakPolarHBondContact CD2-O 3.28Å; Y165-L658 WeakPolarHBondContact CE2-O 3.07Å; Y165-Q661 HydrophobicContact CD2-CB 4.2Å; Y165-Q661 HydrophobicContact CE2-CB 3.84Å; Y165-Q661 WeakPolarHBondContact O-CB 3.37Å; Y165-Q661 PolarHBondContact O-N 2.94Å; Y165-C695 PolarHBondContact OH-O 3.28Å |
| 166 | V | 97.1 | Very high | 94.7 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.2 | -42 | -174.7 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | R162 A163 P168 L297 Q661 | R162-V166 WeakPolarHBondContact O-CG2 3.4Å; R162-V166 PolarHBondContact O-N 3.36Å; R162-V166 VanDerWaalsContact O-N 3.08Å; A163-V166 PolarHBondContact O-N 3.38Å; V166-P168 VanDerWaalsContact C-CD 3.4Å; V166-P168 WeakPolarHBondContact O-CD 3.34Å; V166-L297 HydrophobicContact CB-CD2 4.08Å; V166-L297 HydrophobicContact CG1-CD2 4.22Å; V166-L297 HydrophobicContact CG2-CD2 3.93Å; V166-Q661 PolarHBondContact O-NE2 2.98Å |
| 167 | Y | 97.7 | Very high | 94.9 | Very high | 46 Ų | 46 | 41.9 Ų | 41.9 | 18% | 0.18 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -123.9 | 64.6 | -175.8 | -54.9 | -67.4 | 0 | 0 | 0 | 111.5 | A163 D258 Y260 L262 L293 L297 | A163-Y167 WeakPolarHBondContact O-CA 3.24Å; A163-Y167 WeakPolarHBondContact O-CB 3.21Å; A163-Y167 PolarHBondContact O-N 3.26Å; Y167-D258 HydrophobicContact CE1-CB 4.11Å; Y167-Y260 AromaticContact CD1-CD2 3.66Å; Y167-Y260 HydrophobicContact CD1-CD2 3.66Å; Y167-Y260 AromaticContact CD1-CE2 3.54Å; Y167-Y260 HydrophobicContact CD1-CE2 3.54Å; Y167-Y260 HydrophobicContact CD2-CD2 4.13Å; Y167-Y260 HydrophobicContact CD2-CE2 4.05Å; Y167-Y260 HydrophobicContact CE1-CD2 4.31Å; Y167-Y260 AromaticContact CE1-CE2 3.71Å; Y167-Y260 HydrophobicContact CE1-CE2 3.71Å; Y167-Y260 HydrophobicContact CE2-CE2 4.19Å; Y167-Y260 AromaticContact CG-CD2 3.55Å; Y167-Y260 HydrophobicContact CG-CD2 3.55Å; Y167-Y260 AromaticContact CG-CE2 3.72Å; Y167-Y260 HydrophobicContact CG-CE2 3.72Å; Y167-L262 WeakPolarHBondContact O-CD1 3.47Å; Y167-L293 HydrophobicContact CD2-CD1 4.05Å; Y167-L293 HydrophobicContact CE2-CD1 3.66Å; Y167-L297 HydrophobicContact CD2-CD2 4.49Å; Y167-L297 HydrophobicContact CE2-CD2 3.97Å |
| 168 | P | 97.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | trans | -65.5 | 140.7 | -177.8 | 27.2 | -33.6 | 0 | 0 | 0 | 110.6 | L164 Y165 V166 N170 N660 R662 | L164-P168 WeakPolarHBondContact O-CA 3.45Å; L164-P168 WeakPolarHBondContact O-CB 3.26Å; Y165-P168 WeakPolarHBondContact O-CD 3.46Å; V166-P168 VanDerWaalsContact C-CD 3.4Å; V166-P168 WeakPolarHBondContact O-CD 3.34Å; P168-N170 PolarHBondContact O-N 2.92Å; P168-N660 VanDerWaalsContact CG-OD1 3.31Å; P168-N660 WeakPolarHBondContact CG-OD1 3.4Å; P168-R662 HydrophobicContact CG-CB 3.86Å; P168-R662 PolarHBondContact O-NH1 3.47Å | ||
| 169 | P | 97.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | trans | -49.9 | 129.7 | 176.9 | -27.2 | 33.7 | 0 | 0 | 0 | 112.4 | L164 V171 E263 Y265 Y270 R662 | L164-P169 HydrophobicContact CD2-CG 4.4Å; P169-V171 HydrophobicContact CB-CG1 3.9Å; P169-V171 HydrophobicContact CB-CG2 4.5Å; P169-V171 PolarHBondContact O-N 3.11Å; P169-E263 HydrophobicContact CG-CB 3.7Å; P169-E263 HydrophobicContact CG-CG 3.62Å; P169-Y265 HydrophobicContact CB-CD2 4.2Å; P169-Y265 HydrophobicContact CB-CE2 4.09Å; P169-Y265 HydrophobicContact CG-CE2 4.23Å; P169-Y270 HydrophobicContact CB-CE1 4Å; P169-R662 PolarHBondContact O-NH1 2.82Å; P169-R662 PolarHBondContact O-NH2 3.01Å; P169-R662 VanDerWaalsContact O-NH2 3.1Å | ||
| 170 | N | 97.9 | Very high | 95.4 | Very high | 32 Ų | 32 | 45.3 Ų | 45.3 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | trans | -94 | 86.9 | 174.4 | -169 | 18.9 | 0 | 0 | 0 | 109.5 | P168 E259 Y270 K271 R662 | P168-N170 PolarHBondContact O-N 2.92Å; N170-E259 HydrophobicContact CB-CG 4.14Å; N170-E259 PolarHBondContact ND2-OE2 2.67Å; N170-Y270 WeakPolarHBondContact O-CA 3.38Å; N170-K271 PolarHBondContact O-N 2.83Å; N170-K271 WeakPolarHBondContact OD1-CD 3.42Å; N170-R662 VanDerWaalsContact CA-NH1 3.28Å | ||
| 171 | V | 97.7 | Very high | 95.5 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 10% | 0.097 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -123 | 149.9 | -169.2 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | P169 Y265 Q269 Y270 K271 | P169-V171 HydrophobicContact CB-CG1 3.9Å; P169-V171 HydrophobicContact CB-CG2 4.5Å; P169-V171 PolarHBondContact O-N 3.11Å; V171-Y265 HydrophobicContact CG1-CD2 3.8Å; V171-Y265 HydrophobicContact CG1-CE2 4.33Å; V171-Y265 HydrophobicContact CG1-CG 3.98Å; V171-Y265 HydrophobicContact CG2-CE2 4.28Å; V171-Q269 CarbonylContact C-O 3.58Å; V171-Q269 WeakPolarHBondContact CA-O 3.28Å; V171-Q269 HydrophobicContact CB-CG 4.27Å; V171-Y270 HydrophobicContact CG1-CD1 3.67Å; V171-Y270 HydrophobicContact CG1-CD2 4.4Å; V171-Y270 HydrophobicContact CG1-CE1 3.77Å; V171-Y270 HydrophobicContact CG1-CE2 4.5Å; V171-Y270 HydrophobicContact CG1-CG 4.02Å; V171-K271 VanDerWaalsContact O-CE 3.29Å; V171-K271 WeakPolarHBondContact O-CE 3.47Å |
| 172 | E | 95.8 | Very high | 95.6 | Very high | 46 Ų | 46 | 46.6 Ų | 46.6 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | trans | -69.3 | 150.9 | 169.9 | -59.6 | -64 | 176.8 | 0 | 0 | 111 | S174 Q269 K271 R274 | E172-S174 PolarHBondContact O-N 2.96Å; E172-S174 VanDerWaalsContact O-N 3.13Å; E172-Q269 HydrophobicContact CB-CG 4.36Å; E172-Q269 PolarHBondContact N-O 2.85Å; E172-Q269 PolarHBondContact O-NE2 2.71Å; E172-K271 HydrophobicContact CG-CG 4.18Å; E172-R274 HydrophobicContact CG-CB 4.47Å; E172-R274 HydrophobicContact CG-CG 4.34Å | ||
| 173 | S | 91.4 | Very high | 95.6 | Very high | 52 Ų | 52 | 51 Ų | 51 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -55.1 | -28 | 176.2 | -71.1 | 0 | 0 | 0 | 0 | 114.6 | D626 K627 | S173-D626 WeakPolarHBondContact CB-OD2 3.23Å; S173-D626 PolarHBondContact N-OD2 2.95Å; S173-D626 PolarHBondContact OG-OD2 3.46Å; S173-K627 WeakPolarHBondContact OG-CG 3.49Å |
| 174 | S | 92.9 | Very high | 95.5 | Very high | 63 Ų | 63 | 55.9 Ų | 55.9 | 44% | 0.441 | 28% | 0.279 | S | S | . | . | trans | -128.3 | 140.5 | -179.8 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | E172 E176 | E172-S174 PolarHBondContact O-N 2.96Å; E172-S174 VanDerWaalsContact O-N 3.13Å; S174-E176 VanDerWaalsContact C-N 3.27Å; S174-E176 PolarHBondContact OG-N 2.99Å; S174-E176 VanDerWaalsContact OG-N 3.13Å | ||
| 175 | A | 94.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 55 Ų | 55 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -70.8 | -23.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P266 | A175-P266 HydrophobicContact CB-CG 4.14Š|
| 176 | E | 94.6 | Very high | 95.3 | Very high | 155 Ų | 155 | 59.1 Ų | 59.1 | 72% | 0.724 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 139.6 | -176.7 | -165.1 | 176.9 | 171.6 | 0 | 0 | 111.4 | S174 R274 | S174-E176 VanDerWaalsContact C-N 3.27Å; S174-E176 PolarHBondContact OG-N 2.99Å; S174-E176 VanDerWaalsContact OG-N 3.13Å; E176-R274 PolarHBondContact O-NH1 2.79Å; E176-R274 PolarHBondContact O-NH2 2.64Å |
| 177 | L | 94.6 | Very high | 95.1 | Very high | 18 Ų | 18 | 66.6 Ų | 66.6 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 123.9 | 174.2 | -76.3 | 171.3 | 0 | 0 | 0 | 109.6 | I181 Y182 L185 H213 | L177-I181 HydrophobicContact CD2-CB 4.33Å; L177-I181 HydrophobicContact CD2-CG2 3.67Å; L177-Y182 HydrophobicContact CD1-CD2 4.14Å; L177-L185 HydrophobicContact CD1-CD1 3.89Å; L177-H213 HydrophobicContact CD1-CB 4.49Å; L177-H213 VanDerWaalsContact CD1-CE1 3.44Å; L177-H213 WeakPolarHBondContact CD1-CE1 3.46Å; L177-H213 VanDerWaalsContact CD1-ND1 3.28Å; L177-H213 WeakPolarHBondContact CD1-ND1 3.23Å |
| 178 | P | 94.4 | Very high | 95 | Very high | 15 Ų | 15 | 64.6 Ų | 64.6 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 143 | 164.6 | -27.8 | 34.7 | 0 | 0 | 0 | 111.7 | H180 I181 Y182 Q825 | P178-H180 VanDerWaalsContact C-N 3.28Å; P178-H180 WeakPolarHBondContact CB-CE1 3.5Å; P178-H180 WeakPolarHBondContact CB-ND1 3.45Å; P178-H180 PolarHBondContact O-N 3.4Å; P178-I181 HydrophobicContact CB-CD1 4.32Å; P178-I181 HydrophobicContact CB-CG1 4.24Å; P178-I181 HydrophobicContact CG-CD1 4.05Å; P178-I181 WeakPolarHBondContact O-CA 3.49Å; P178-I181 WeakPolarHBondContact O-CB 3.48Å; P178-I181 PolarHBondContact O-N 2.98Å; P178-Y182 PolarHBondContact O-N 3.01Å; P178-Q825 WeakPolarHBondContact CB-O 3.43Å |
| 179 | R | 93.1 | Very high | 95 | Very high | 217 Ų | 217 | 66.8 Ų | 66.8 | 82% | 0.819 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -53.7 | -41.8 | -172.7 | -68.8 | -178.4 | -178.9 | 172.3 | 1 | 113.1 | I181 Y182 N183 | R179-I181 VanDerWaalsContact C-N 3.28Å; R179-I181 PolarHBondContact O-N 2.79Å; R179-Y182 PolarHBondContact O-N 2.96Å; R179-N183 WeakPolarHBondContact O-CB 3.3Å; R179-N183 PolarHBondContact O-N 3.3Å; R179-N183 PolarHBondContact O-ND2 3.12Å; R179-N183 PolarHBondContact O-OD1 2.88Å |
| 180 | H | 92.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 66.4 Ų | 66.4 | 17% | 0.167 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.4 | -24.9 | 179.8 | 67.4 | -70.5 | 0 | 0 | 0 | 113.3 | P178 Q825 | P178-H180 VanDerWaalsContact C-N 3.28Å; P178-H180 WeakPolarHBondContact CB-CE1 3.5Å; P178-H180 WeakPolarHBondContact CB-ND1 3.45Å; P178-H180 PolarHBondContact O-N 3.4Å; H180-Q825 PolarHBondContact CE1-O 3.35Å; H180-Q825 VanDerWaalsContact CE1-O 3.24Å; H180-Q825 PolarHBondContact NE2-OE1 3.09Å |
| 181 | I | 95.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.2 | -45.6 | 172.5 | -56.6 | -174.4 | 0 | 0 | 0 | 109.6 | L177 P178 R179 N183 K184 I277 M278 | L177-I181 HydrophobicContact CD2-CB 4.33Å; L177-I181 HydrophobicContact CD2-CG2 3.67Å; P178-I181 HydrophobicContact CB-CD1 4.32Å; P178-I181 HydrophobicContact CB-CG1 4.24Å; P178-I181 HydrophobicContact CG-CD1 4.05Å; P178-I181 WeakPolarHBondContact O-CA 3.49Å; P178-I181 WeakPolarHBondContact O-CB 3.48Å; P178-I181 PolarHBondContact O-N 2.98Å; R179-I181 VanDerWaalsContact C-N 3.28Å; R179-I181 PolarHBondContact O-N 2.79Å; I181-N183 VanDerWaalsContact C-N 3.28Å; I181-N183 PolarHBondContact O-N 3.42Å; I181-K184 WeakPolarHBondContact O-CB 3.31Å; I181-K184 PolarHBondContact O-N 2.95Å; I181-K184 VanDerWaalsContact O-N 3.08Å; I181-I277 HydrophobicContact CG2-CB 4.32Å; I181-I277 HydrophobicContact CG2-CG2 3.63Å; I181-M278 HydrophobicContact CD1-CG 3.83Å; I181-M278 HydrophobicContact CD1-SD 3.92Å; I181-M278 HydrophobicContact CG1-CG 4.22Å; I181-M278 HydrophobicContact CG2-CG 4.42Å |
| 182 | Y | 96.3 | Very high | 94.9 | Very high | 99 Ų | 99 | 68.1 Ų | 68.1 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 177 | -175.7 | -91.8 | 0 | 0 | 0 | 112 | L177 P178 R179 K184 L185 H213 | L177-Y182 HydrophobicContact CD1-CD2 4.14Å; P178-Y182 PolarHBondContact O-N 3.01Å; R179-Y182 PolarHBondContact O-N 2.96Å; Y182-K184 PolarHBondContact O-N 3.22Å; Y182-K184 VanDerWaalsContact O-N 3.11Å; Y182-L185 HydrophobicContact CD2-CD1 4.38Å; Y182-L185 VanDerWaalsContact O-CB 3.29Å; Y182-L185 WeakPolarHBondContact O-CB 3.45Å; Y182-L185 PolarHBondContact O-N 3.34Å; Y182-H213 AromaticContact CD2-NE2 3.83Å; Y182-H213 AromaticContact CE2-CD2 3.89Å; Y182-H213 AromaticContact CE2-NE2 3.52Å |
| 183 | N | 95.2 | Very high | 95.1 | Very high | 126 Ų | 126 | 66.1 Ų | 66.1 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.4 | 178.7 | -68.9 | -12.9 | 0 | 0 | 0 | 114.2 | R179 I181 L185 | R179-N183 WeakPolarHBondContact O-CB 3.3Å; R179-N183 PolarHBondContact O-N 3.3Å; R179-N183 PolarHBondContact O-ND2 3.12Å; R179-N183 PolarHBondContact O-OD1 2.88Å; I181-N183 VanDerWaalsContact C-N 3.28Å; I181-N183 PolarHBondContact O-N 3.42Å; N183-L185 VanDerWaalsContact C-N 3.27Å |
| 184 | K | 94.3 | Very high | 95.4 | Very high | 101 Ų | 101 | 63.7 Ų | 63.7 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -12.9 | 171.9 | -66.3 | 175 | -179.1 | -78 | 0 | 112.7 | I181 Y182 I277 | I181-K184 WeakPolarHBondContact O-CB 3.31Å; I181-K184 PolarHBondContact O-N 2.95Å; I181-K184 VanDerWaalsContact O-N 3.08Å; Y182-K184 PolarHBondContact O-N 3.22Å; Y182-K184 VanDerWaalsContact O-N 3.11Å; K184-I277 HydrophobicContact CB-CG2 4.19Å; K184-I277 WeakPolarHBondContact CD-O 3.48Å |
| 185 | L | 95.6 | Very high | 95.6 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -91 | 146.4 | 178.7 | -57.5 | 171.2 | 0 | 0 | 0 | 110.6 | L177 Y182 N183 K187 I190 H213 I277 | L177-L185 HydrophobicContact CD1-CD1 3.89Å; Y182-L185 HydrophobicContact CD2-CD1 4.38Å; Y182-L185 VanDerWaalsContact O-CB 3.29Å; Y182-L185 WeakPolarHBondContact O-CB 3.45Å; Y182-L185 PolarHBondContact O-N 3.34Å; N183-L185 VanDerWaalsContact C-N 3.27Å; L185-K187 PolarHBondContact O-N 3.42Å; L185-I190 HydrophobicContact CD2-CB 4.07Å; L185-I190 HydrophobicContact CD2-CG1 4.45Å; L185-H213 HydrophobicContact CD1-CB 3.67Å; L185-I277 HydrophobicContact CD2-CD1 4.11Å; L185-I277 HydrophobicContact CD2-CG1 4.02Å; L185-I277 HydrophobicContact CD2-CG2 3.9Å; L185-I277 HydrophobicContact CG-CG2 4.24Å |
| 186 | D | 93.8 | Very high | 95.5 | Very high | 88 Ų | 88 | 61.1 Ų | 61.1 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -84.1 | 101.9 | 173.5 | 176.3 | 29.7 | 0 | 0 | 0 | 109.6 | G188 Q189 K210 | D186-G188 VanDerWaalsContact C-N 3.26Å; D186-G188 PolarHBondContact O-N 2.97Å; D186-Q189 PolarHBondContact N-O 3.23Å; D186-Q189 WeakPolarHBondContact O-CB 3.35Å; D186-Q189 PolarHBondContact O-N 2.85Å; D186-K210 IonicContact OD2-NZ 3.52Å; D186-K210 PolarHBondContact OD2-NZ 2.96Å |
| 187 | K | 93.6 | Very high | 95.2 | Very high | 182 Ų | 182 | 55.4 Ų | 55.4 | 79% | 0.791 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 40.1 | -178.1 | -56.3 | 178.9 | -175.9 | -179.9 | 0 | 113.2 | L185 Q189 | L185-K187 PolarHBondContact O-N 3.42Å; K187-Q189 PolarHBondContact O-N 2.99Å |
| 188 | G | 95.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 10.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | D186 H213 | D186-G188 VanDerWaalsContact C-N 3.26Å; D186-G188 PolarHBondContact O-N 2.97Å; G188-H213 PolarHBondContact O-CD2 2.92Å; G188-H213 PolarHBondContact O-N 3.27Å |
| 189 | Q | 97.3 | Very high | 94.1 | Very high | 62 Ų | 62 | 60.8 Ų | 60.8 | 29% | 0.29 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 143.8 | 178.1 | -56.2 | -168.6 | -44.4 | 0 | 0 | 111.8 | D186 K187 K210 I211 N212 | D186-Q189 PolarHBondContact N-O 3.23Å; D186-Q189 WeakPolarHBondContact O-CB 3.35Å; D186-Q189 PolarHBondContact O-N 2.85Å; K187-Q189 PolarHBondContact O-N 2.99Å; Q189-K210 HydrophobicContact CB-CG 4.04Å; Q189-I211 CarbonylContact C-O 3.54Å; Q189-I211 WeakPolarHBondContact CA-O 3.18Å; Q189-I211 WeakPolarHBondContact CB-O 3.44Å; Q189-N212 PolarHBondContact NE2-OD1 3.17Å |
| 190 | I | 97.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 141.7 | 174.8 | -172.2 | 170.7 | 0 | 0 | 0 | 109.7 | L185 V192 I211 I273 I277 P283 | L185-I190 HydrophobicContact CD2-CB 4.07Å; L185-I190 HydrophobicContact CD2-CG1 4.45Å; I190-V192 HydrophobicContact CD1-CG1 4.44Å; I190-V192 HydrophobicContact CG1-CG1 4.23Å; I190-V192 HydrophobicContact CG2-CG1 4.05Å; I190-I211 HydrophobicContact CG2-CG1 4.02Å; I190-I211 PolarHBondContact N-O 3.41Å; I190-I211 PolarHBondContact O-N 2.84Å; I190-I273 HydrophobicContact CD1-CG2 3.92Å; I190-I277 HydrophobicContact CD1-CD1 4.01Å; I190-I277 HydrophobicContact CD1-CG1 3.6Å; I190-P283 HydrophobicContact CD1-CG 3.71Å; I190-P283 HydrophobicContact CG1-CG 4.42Å |
| 191 | I | 97.9 | Very high | 92.9 | Very high | 84 Ų | 84 | 57.9 Ų | 57.9 | 43% | 0.431 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121 | 170.9 | -60.6 | 175.1 | 0 | 0 | 0 | 107.9 | T208 L209 K210 M282 P283 | I191-T208 HydrophobicContact CG2-CG2 3.42Å; I191-T208 VanDerWaalsContact CG2-CG2 3.42Å; I191-L209 CarbonylContact C-O 3.53Å; I191-L209 VanDerWaalsContact CA-O 3.29Å; I191-L209 WeakPolarHBondContact CA-O 3.36Å; I191-K210 HydrophobicContact CG1-CB 4.48Å; I191-K210 HydrophobicContact CG1-CG 4.25Å; I191-M282 HydrophobicContact CG2-SD 3.88Å; I191-P283 WeakPolarHBondContact O-CD 3.48Å |
| 192 | V | 97.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149.2 | 178 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | I190 I194 T208 L209 I211 V220 L267 P283 | I190-V192 HydrophobicContact CD1-CG1 4.44Å; I190-V192 HydrophobicContact CG1-CG1 4.23Å; I190-V192 HydrophobicContact CG2-CG1 4.05Å; V192-I194 HydrophobicContact CG2-CD1 4.35Å; V192-T208 CarbonylContact O-C 3.05Å; V192-T208 WeakPolarHBondContact O-CA 3.21Å; V192-L209 HydrophobicContact CG2-CB 3.89Å; V192-L209 HydrophobicContact CG2-CD1 4.48Å; V192-L209 HydrophobicContact CG2-CG 4.5Å; V192-L209 PolarHBondContact N-O 3.09Å; V192-L209 PolarHBondContact O-N 2.91Å; V192-I211 HydrophobicContact CG1-CD1 4.18Å; V192-I211 HydrophobicContact CG1-CG1 4.45Å; V192-I211 HydrophobicContact CG2-CD1 3.7Å; V192-I211 HydrophobicContact CG2-CG1 4.05Å; V192-V220 HydrophobicContact CG2-CG1 4.35Å; V192-L267 HydrophobicContact CG1-CD2 3.97Å; V192-P283 HydrophobicContact CG1-CB 4.19Å; V192-P283 HydrophobicContact CG1-CG 4.12Å |
| 193 | V | 98.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.2 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | W195 K206 T208 M282 P283 L285 | V193-W195 HydrophobicContact CG1-CD2 4.49Å; V193-W195 HydrophobicContact CG1-CZ2 4.24Å; V193-K206 HydrophobicContact CG1-CB 4.04Å; V193-T208 HydrophobicContact CG2-CG2 4.44Å; V193-M282 HydrophobicContact CG2-CE 3.58Å; V193-M282 HydrophobicContact CG2-CG 3.82Å; V193-M282 HydrophobicContact CG2-SD 3.5Å; V193-M282 VanDerWaalsContact CG2-SD 3.5Å; V193-P283 PolarHBondContact N-O 2.85Å; V193-L285 PolarHBondContact O-N 3.28Å |
| 194 | I | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.3 | 174.6 | -53.1 | -53.9 | 0 | 0 | 0 | 109.3 | V192 K206 Y207 L209 V220 A224 L252 L285 L287 | V192-I194 HydrophobicContact CG2-CD1 4.35Å; I194-K206 CarbonylContact O-C 3.51Å; I194-Y207 PolarHBondContact N-O 2.9Å; I194-Y207 PolarHBondContact O-N 2.84Å; I194-L209 HydrophobicContact CG1-CD1 3.6Å; I194-L209 HydrophobicContact CG1-CG 4.22Å; I194-V220 HydrophobicContact CD1-CG1 3.85Å; I194-V220 HydrophobicContact CG1-CG1 4.33Å; I194-A224 HydrophobicContact CB-CB 4.36Å; I194-A224 HydrophobicContact CG1-CB 4.26Å; I194-A224 HydrophobicContact CG2-CB 4.1Å; I194-L252 HydrophobicContact CD1-CD2 4.1Å; I194-L285 CarbonylContact C-O 3.58Å; I194-L285 VanDerWaalsContact CA-O 3.31Å; I194-L285 WeakPolarHBondContact CA-O 3.41Å; I194-L285 HydrophobicContact CD1-CB 3.86Å; I194-L285 HydrophobicContact CD1-CD1 4.17Å; I194-L285 HydrophobicContact CD1-CG 4.49Å; I194-L287 HydrophobicContact CG2-CB 3.95Å |
| 195 | W | 97.1 | Very high | 92 | Very high | 36 Ų | 36 | 58.9 Ų | 58.9 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.9 | 178.1 | -66.3 | 90.2 | 0 | 0 | 0 | 110.6 | V193 K204 Q205 K206 N284 L285 M286 L287 M789 L792 | V193-W195 HydrophobicContact CG1-CD2 4.49Å; V193-W195 HydrophobicContact CG1-CZ2 4.24Å; W195-K204 HydrophobicContact CE3-CB 4.01Å; W195-K204 HydrophobicContact CZ3-CB 4.04Å; W195-Q205 CarbonylContact C-O 3.44Å; W195-Q205 WeakPolarHBondContact CA-O 3.5Å; W195-K206 HydrophobicContact CD2-CB 4.18Å; W195-K206 HydrophobicContact CE3-CB 3.9Å; W195-K206 HydrophobicContact CH2-CB 4Å; W195-K206 HydrophobicContact CH2-CD 4.22Å; W195-K206 HydrophobicContact CZ2-CB 4.23Å; W195-K206 HydrophobicContact CZ3-CB 3.81Å; W195-N284 PolarHBondContact NE1-OD1 2.77Å; W195-L285 PolarHBondContact N-O 2.85Å; W195-M286 CarbonylContact O-C 3.53Å; W195-M286 WeakPolarHBondContact O-CA 3.44Å; W195-L287 PolarHBondContact O-N 2.91Å; W195-M789 HydrophobicContact CB-CE 3.96Å; W195-L792 HydrophobicContact CD2-CD1 4.05Å; W195-L792 VanDerWaalsContact CE2-CD1 3.49Å; W195-L792 HydrophobicContact CG-CD1 4.26Å; W195-L792 HydrophobicContact CZ2-CD1 3.84Å; W195-L792 HydrophobicContact CZ2-CD2 4.01Å |
| 196 | V | 93 | Very high | 92 | Very high | 18 Ų | 18 | 64.7 Ų | 64.7 | 11% | 0.109 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.9 | 174.1 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | Q205 Y207 L287 | V196-Q205 PolarHBondContact N-O 2.92Å; V196-Q205 PolarHBondContact O-N 3.16Å; V196-Y207 HydrophobicContact CB-CE2 4.31Å; V196-Y207 HydrophobicContact CG2-CD2 4.01Å; V196-Y207 HydrophobicContact CG2-CE2 3.71Å; V196-L287 HydrophobicContact CG2-CB 4.11Å; V196-L287 HydrophobicContact CG2-CD2 4.21Å |
| 197 | I | 89.3 | Confident | 92 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 18% | 0.179 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.3 | 172.6 | -57.8 | -178.3 | 0 | 0 | 0 | 107.9 | N202 M286 M788 M789 | I197-N202 HydrophobicContact CG2-CB 4.23Å; I197-M286 HydrophobicContact CD1-SD 3.47Å; I197-M286 WeakPolarHBondContact CD1-SD 3.36Å; I197-M286 HydrophobicContact CG1-SD 3.88Å; I197-M788 HydrophobicContact CD1-CB 4.17Å; I197-M788 HydrophobicContact CD1-CE 3.74Å; I197-M788 HydrophobicContact CD1-SD 3.7Å; I197-M788 HydrophobicContact CG2-CE 4.16Å; I197-M789 HydrophobicContact CD1-CE 3.77Å; I197-M789 HydrophobicContact CG1-CE 3.48Å; I197-M789 VanDerWaalsContact CG1-CE 3.48Å |
| 198 | V | 85.7 | Confident | 92.2 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 112.1 | 178.7 | -175 | 0 | 0 | 0 | 0 | 109.1 | S201 N202 D203 Q205 | V198-S201 PolarHBondContact O-N 2.88Å; V198-S201 PolarHBondContact O-OG 3.09Å; V198-N202 WeakPolarHBondContact O-CA 3.34Å; V198-N202 PolarHBondContact O-N 2.76Å; V198-D203 PolarHBondContact N-O 2.99Å; V198-D203 PolarHBondContact O-N 3.08Å; V198-Q205 HydrophobicContact CG2-CG 3.95Å |
| 199 | S | 79.7 | Confident | 92.3 | Very high | 98 Ų | 98 | 56.3 Ų | 56.3 | 69% | 0.685 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 146.2 | 173.2 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 200 | P | 79.7 | Confident | 92.3 | Very high | 126 Ų | 126 | 58.3 Ų | 58.3 | 82% | 0.818 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92.6 | -5.1 | 2.2 | 36.2 | -35 | 0 | 0 | 0 | 114.9 | N202 | P200-N202 PolarHBondContact O-N 3.04Š|
| 201 | S | 81.9 | Confident | 92.2 | Very high | 67 Ų | 67 | 58.4 Ų | 58.4 | 47% | 0.469 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -14.8 | -175.2 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | V198 D203 | V198-S201 PolarHBondContact O-N 2.88Å; V198-S201 PolarHBondContact O-OG 3.09Å; S201-D203 VanDerWaalsContact CB-OD2 3.27Å; S201-D203 WeakPolarHBondContact CB-OD2 3.29Å; S201-D203 PolarHBondContact O-N 3.49Å; S201-D203 PolarHBondContact OG-OD2 3.1Å |
| 202 | N | 85.3 | Confident | 92.2 | Very high | 87 Ų | 87 | 57.9 Ų | 57.9 | 47% | 0.465 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 24.8 | -170.8 | -65.9 | -30.5 | 0 | 0 | 0 | 113.3 | I197 V198 P200 K204 M788 | I197-N202 HydrophobicContact CG2-CB 4.23Å; V198-N202 WeakPolarHBondContact O-CA 3.34Å; V198-N202 PolarHBondContact O-N 2.76Å; P200-N202 PolarHBondContact O-N 3.04Å; N202-K204 PolarHBondContact O-N 2.96Å; N202-M788 HydrophobicContact CB-CE 4.01Å |
| 203 | D | 90.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 59.2 Ų | 59.2 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 133.5 | 175.4 | -69.7 | -39 | 0 | 0 | 0 | 110.5 | V198 S201 | V198-D203 PolarHBondContact N-O 2.99Å; V198-D203 PolarHBondContact O-N 3.08Å; S201-D203 VanDerWaalsContact CB-OD2 3.27Å; S201-D203 WeakPolarHBondContact CB-OD2 3.29Å; S201-D203 PolarHBondContact O-N 3.49Å; S201-D203 PolarHBondContact OG-OD2 3.1Å |
| 204 | K | 93.1 | Very high | 92.2 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 35% | 0.352 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 111 | -176.9 | -59.8 | 175.4 | 174.7 | 174.5 | 0 | 110.2 | W195 N202 M788 M789 E791 | W195-K204 HydrophobicContact CE3-CB 4.01Å; W195-K204 HydrophobicContact CZ3-CB 4.04Å; N202-K204 PolarHBondContact O-N 2.96Å; K204-M788 WeakPolarHBondContact CE-O 3.47Å; K204-M788 PolarHBondContact NZ-O 3.17Å; K204-M789 HydrophobicContact CB-CE 4.26Å; K204-M789 HydrophobicContact CD-CE 3.84Å; K204-M789 HydrophobicContact CD-SD 3.65Å; K204-M789 HydrophobicContact CG-CE 3.71Å; K204-M789 HydrophobicContact CG-SD 4.22Å; K204-E791 VanDerWaalsContact NZ-CD 3.27Å; K204-E791 IonicContact NZ-OE1 3.36Å; K204-E791 PolarHBondContact NZ-OE1 3.01Å; K204-E791 IonicContact NZ-OE2 2.71Å; K204-E791 PolarHBondContact NZ-OE2 2.78Å |
| 205 | Q | 92.6 | Very high | 92.2 | Very high | 83 Ų | 83 | 64 Ų | 64 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.7 | 173.2 | -66.3 | -174.7 | -5.4 | 0 | 0 | 110.7 | W195 V196 V198 Y207 | W195-Q205 CarbonylContact C-O 3.44Å; W195-Q205 WeakPolarHBondContact CA-O 3.5Å; V196-Q205 PolarHBondContact N-O 2.92Å; V196-Q205 PolarHBondContact O-N 3.16Å; V198-Q205 HydrophobicContact CG2-CG 3.95Å; Q205-Y207 HydrophobicContact CB-CE2 4.26Å; Q205-Y207 PolarHBondContact OE1-OH 3.05Å; Q205-Y207 VanDerWaalsContact OE1-OH 3.09Å |
| 206 | K | 94.7 | Very high | 92.2 | Very high | 145 Ų | 145 | 63.8 Ų | 63.8 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139 | -179.8 | 72.7 | 180 | -178 | -177.5 | 0 | 112.6 | V193 I194 W195 | V193-K206 HydrophobicContact CG1-CB 4.04Å; I194-K206 CarbonylContact O-C 3.51Å; W195-K206 HydrophobicContact CD2-CB 4.18Å; W195-K206 HydrophobicContact CE3-CB 3.9Å; W195-K206 HydrophobicContact CH2-CB 4Å; W195-K206 HydrophobicContact CH2-CD 4.22Å; W195-K206 HydrophobicContact CZ2-CB 4.23Å; W195-K206 HydrophobicContact CZ3-CB 3.81Å |
| 207 | Y | 95.3 | Very high | 92.4 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 14% | 0.141 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 106.8 | 174.9 | -59 | -80.8 | 0 | 0 | 0 | 110 | I194 V196 Q205 K227 K228 | I194-Y207 PolarHBondContact N-O 2.9Å; I194-Y207 PolarHBondContact O-N 2.84Å; V196-Y207 HydrophobicContact CB-CE2 4.31Å; V196-Y207 HydrophobicContact CG2-CD2 4.01Å; V196-Y207 HydrophobicContact CG2-CE2 3.71Å; Q205-Y207 HydrophobicContact CB-CE2 4.26Å; Q205-Y207 PolarHBondContact OE1-OH 3.05Å; Q205-Y207 VanDerWaalsContact OE1-OH 3.09Å; Y207-K227 HydrophobicContact CD1-CG 4.28Å; Y207-K228 HydrophobicContact CE1-CB 4.03Å; Y207-K228 HydrophobicContact CE1-CG 4.43Å; Y207-K228 WeakPolarHBondContact OH-CG 3.49Å |
| 208 | T | 97 | Very high | 92.8 | Very high | 57 Ų | 57 | 64.8 Ų | 64.8 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.5 | 176.2 | -51.9 | 0 | 0 | 0 | 0 | 110.4 | I191 V192 V193 K227 | I191-T208 HydrophobicContact CG2-CG2 3.42Å; I191-T208 VanDerWaalsContact CG2-CG2 3.42Å; V192-T208 CarbonylContact O-C 3.05Å; V192-T208 WeakPolarHBondContact O-CA 3.21Å; V193-T208 HydrophobicContact CG2-CG2 4.44Å; T208-K227 PolarHBondContact O-NZ 3.24Å |
| 209 | L | 96.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 143.7 | -179.1 | -48.2 | 178.1 | 0 | 0 | 0 | 109.5 | I191 V192 I194 I211 V220 E223 A224 K227 | I191-L209 CarbonylContact C-O 3.53Å; I191-L209 VanDerWaalsContact CA-O 3.29Å; I191-L209 WeakPolarHBondContact CA-O 3.36Å; V192-L209 HydrophobicContact CG2-CB 3.89Å; V192-L209 HydrophobicContact CG2-CD1 4.48Å; V192-L209 HydrophobicContact CG2-CG 4.5Å; V192-L209 PolarHBondContact N-O 3.09Å; V192-L209 PolarHBondContact O-N 2.91Å; I194-L209 HydrophobicContact CG1-CD1 3.6Å; I194-L209 HydrophobicContact CG1-CG 4.22Å; L209-I211 HydrophobicContact CB-CG2 4.14Å; L209-V220 HydrophobicContact CD1-CG1 4.22Å; L209-E223 HydrophobicContact CD1-CB 4.26Å; L209-E223 HydrophobicContact CD1-CG 4.43Å; L209-E223 HydrophobicContact CD2-CG 4.29Å; L209-A224 HydrophobicContact CD1-CB 3.97Å; L209-K227 HydrophobicContact CD2-CB 4.03Å; L209-K227 HydrophobicContact CD2-CD 3.57Å; L209-K227 HydrophobicContact CD2-CG 4.42Å |
| 210 | K | 96.9 | Very high | 94.1 | Very high | 104 Ų | 104 | 62.7 Ų | 62.7 | 45% | 0.452 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 113.5 | 167.6 | -170.3 | 180 | -171.1 | -172.3 | 0 | 107 | D186 Q189 I191 | D186-K210 IonicContact OD2-NZ 3.52Å; D186-K210 PolarHBondContact OD2-NZ 2.96Å; Q189-K210 HydrophobicContact CB-CG 4.04Å; I191-K210 HydrophobicContact CG1-CB 4.48Å; I191-K210 HydrophobicContact CG1-CG 4.25Å |
| 211 | I | 96.9 | Very high | 94.9 | Very high | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 162.6 | -171.1 | 54.5 | 168.2 | 0 | 0 | 0 | 109.6 | Q189 I190 V192 L209 V220 E223 L267 | Q189-I211 CarbonylContact C-O 3.54Å; Q189-I211 WeakPolarHBondContact CA-O 3.18Å; Q189-I211 WeakPolarHBondContact CB-O 3.44Å; I190-I211 HydrophobicContact CG2-CG1 4.02Å; I190-I211 PolarHBondContact N-O 3.41Å; I190-I211 PolarHBondContact O-N 2.84Å; V192-I211 HydrophobicContact CG1-CD1 4.18Å; V192-I211 HydrophobicContact CG1-CG1 4.45Å; V192-I211 HydrophobicContact CG2-CD1 3.7Å; V192-I211 HydrophobicContact CG2-CG1 4.05Å; L209-I211 HydrophobicContact CB-CG2 4.14Å; I211-V220 HydrophobicContact CD1-CB 4.27Å; I211-V220 HydrophobicContact CD1-CG1 3.98Å; I211-V220 HydrophobicContact CD1-CG2 3.45Å; I211-V220 VanDerWaalsContact CD1-CG2 3.45Å; I211-E223 HydrophobicContact CG2-CG 4.36Å; I211-L267 HydrophobicContact CD1-CD2 3.61Å |
| 212 | N | 98 | Very high | 95.6 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 145.8 | 174.4 | -59 | -15.1 | 0 | 0 | 0 | 110 | Q189 D214 S215 | Q189-N212 PolarHBondContact NE2-OD1 3.17Å; N212-D214 WeakPolarHBondContact CB-OD1 3.36Å; N212-D214 PolarHBondContact O-N 3.27Å; N212-S215 WeakPolarHBondContact O-CB 3.41Å; N212-S215 PolarHBondContact O-N 2.89Å; N212-S215 PolarHBondContact O-OG 3.49Å; N212-S215 VanDerWaalsContact O-OG 3.09Å |
| 213 | H | 97.4 | Very high | 96 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 13% | 0.13 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.1 | -177.9 | 77 | 78.7 | 0 | 0 | 0 | 113.3 | L177 Y182 L185 G188 L267 S268 | L177-H213 HydrophobicContact CD1-CB 4.49Å; L177-H213 VanDerWaalsContact CD1-CE1 3.44Å; L177-H213 WeakPolarHBondContact CD1-CE1 3.46Å; L177-H213 VanDerWaalsContact CD1-ND1 3.28Å; L177-H213 WeakPolarHBondContact CD1-ND1 3.23Å; Y182-H213 AromaticContact CD2-NE2 3.83Å; Y182-H213 AromaticContact CE2-CD2 3.89Å; Y182-H213 AromaticContact CE2-NE2 3.52Å; L185-H213 HydrophobicContact CD1-CB 3.67Å; G188-H213 PolarHBondContact O-CD2 2.92Å; G188-H213 PolarHBondContact O-N 3.27Å; H213-L267 PolarHBondContact O-N 3.45Å; H213-S268 PolarHBondContact ND1-OG 2.76Å; H213-S268 WeakPolarHBondContact O-CB 3.4Å; H213-S268 PolarHBondContact O-N 3.16Å; H213-S268 PolarHBondContact O-OG 3.04Å |
| 214 | D | 97.4 | Very high | 96.2 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 47% | 0.465 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 0.5 | -178.3 | 65.3 | -20.5 | 0 | 0 | 0 | 113.4 | N212 P266 | N212-D214 WeakPolarHBondContact CB-OD1 3.36Å; N212-D214 PolarHBondContact O-N 3.27Å; D214-P266 HydrophobicContact CB-CB 4.43Å |
| 215 | S | 97.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | trans | -60.4 | 141 | 175.4 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | N212 L267 | N212-S215 WeakPolarHBondContact O-CB 3.41Å; N212-S215 PolarHBondContact O-N 2.89Å; N212-S215 PolarHBondContact O-OG 3.49Å; N212-S215 VanDerWaalsContact O-OG 3.09Å; S215-L267 VanDerWaalsContact O-CB 3.3Å; S215-L267 WeakPolarHBondContact O-CB 3.36Å; S215-L267 PolarHBondContact O-N 3.24Å | ||
| 216 | V | 98 | Very high | 96.1 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | trans | -83.4 | 157.7 | 176.3 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | E218 Q219 V220 | V216-E218 PolarHBondContact O-N 3.33Å; V216-E218 VanDerWaalsContact O-N 3.11Å; V216-Q219 HydrophobicContact CG2-CB 4.3Å; V216-Q219 HydrophobicContact CG2-CG 3.69Å; V216-Q219 WeakPolarHBondContact O-CB 3.28Å; V216-Q219 PolarHBondContact O-N 3.49Å; V216-V220 PolarHBondContact O-N 3.4Å | ||
| 217 | P | 97.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -50.9 | -40.8 | -176.5 | -31.3 | 36.6 | 0 | 0 | 0 | 114.2 | Q219 V220 I221 L252 L261 Y265 Y270 | P217-Q219 VanDerWaalsContact C-N 3.31Å; P217-Q219 PolarHBondContact O-N 3.15Å; P217-V220 WeakPolarHBondContact O-CB 3.49Å; P217-V220 PolarHBondContact O-N 3.03Å; P217-V220 VanDerWaalsContact O-N 3.17Å; P217-I221 VanDerWaalsContact O-CG1 3.31Å; P217-I221 WeakPolarHBondContact O-CG1 3.48Å; P217-I221 PolarHBondContact O-N 3.34Å; P217-L252 HydrophobicContact CB-CD1 4.15Å; P217-L261 HydrophobicContact CB-CB 4.15Å; P217-L261 HydrophobicContact CG-CB 3.81Å; P217-L261 HydrophobicContact CG-CD2 4.24Å; P217-Y265 VanDerWaalsContact CD-O 3.31Å; P217-Y265 WeakPolarHBondContact CD-O 3.45Å; P217-Y270 HydrophobicContact CG-CE2 4.05Å |
| 218 | E | 96.1 | Very high | 95.4 | Very high | 66 Ų | 66 | 43.9 Ų | 43.9 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.9 | -35.4 | 178 | -65.5 | -176.4 | -176.5 | 0 | 0 | 113.4 | V216 I221 A222 Q247 K264 | V216-E218 PolarHBondContact O-N 3.33Å; V216-E218 VanDerWaalsContact O-N 3.11Å; E218-I221 PolarHBondContact O-N 3.21Å; E218-A222 WeakPolarHBondContact O-CB 3.42Å; E218-A222 PolarHBondContact O-N 3.49Å; E218-Q247 HydrophobicContact CB-CG 4.22Å; E218-K264 VanDerWaalsContact OE1-CE 3.29Å; E218-K264 WeakPolarHBondContact OE1-CE 3.47Å; E218-K264 IonicContact OE1-NZ 2.73Å |
| 219 | Q | 96.3 | Very high | 94.8 | Very high | 101 Ų | 101 | 41.7 Ų | 41.7 | 47% | 0.472 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.2 | -36.5 | 176.6 | -68.2 | 169.9 | -17.7 | 0 | 0 | 111.2 | V216 P217 A222 E223 | V216-Q219 HydrophobicContact CG2-CB 4.3Å; V216-Q219 HydrophobicContact CG2-CG 3.69Å; V216-Q219 WeakPolarHBondContact O-CB 3.28Å; V216-Q219 PolarHBondContact O-N 3.49Å; P217-Q219 VanDerWaalsContact C-N 3.31Å; P217-Q219 PolarHBondContact O-N 3.15Å; Q219-A222 PolarHBondContact O-N 3.38Å; Q219-E223 PolarHBondContact O-N 2.93Å |
| 220 | V | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 174.4 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | V192 I194 L209 I211 V216 P217 A222 E223 A224 L252 L267 | V192-V220 HydrophobicContact CG2-CG1 4.35Å; I194-V220 HydrophobicContact CD1-CG1 3.85Å; I194-V220 HydrophobicContact CG1-CG1 4.33Å; L209-V220 HydrophobicContact CD1-CG1 4.22Å; I211-V220 HydrophobicContact CD1-CB 4.27Å; I211-V220 HydrophobicContact CD1-CG1 3.98Å; I211-V220 HydrophobicContact CD1-CG2 3.45Å; I211-V220 VanDerWaalsContact CD1-CG2 3.45Å; V216-V220 PolarHBondContact O-N 3.4Å; P217-V220 WeakPolarHBondContact O-CB 3.49Å; P217-V220 PolarHBondContact O-N 3.03Å; P217-V220 VanDerWaalsContact O-N 3.17Å; V220-A222 VanDerWaalsContact C-N 3.35Å; V220-E223 PolarHBondContact O-N 2.86Å; V220-A224 PolarHBondContact O-N 3.38Å; V220-L252 HydrophobicContact CB-CD1 3.99Å; V220-L252 HydrophobicContact CG1-CD1 4.01Å; V220-L267 HydrophobicContact CG2-CD2 4.19Å |
| 221 | I | 97 | Very high | 93.1 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 174.2 | -67.6 | 167.3 | 0 | 0 | 0 | 110.4 | P217 E218 E223 A224 I225 L252 L287 | P217-I221 VanDerWaalsContact O-CG1 3.31Å; P217-I221 WeakPolarHBondContact O-CG1 3.48Å; P217-I221 PolarHBondContact O-N 3.34Å; E218-I221 PolarHBondContact O-N 3.21Å; I221-E223 VanDerWaalsContact C-N 3.3Å; I221-E223 PolarHBondContact O-N 3.09Å; I221-A224 WeakPolarHBondContact O-CB 3.16Å; I221-A224 PolarHBondContact O-N 3.3Å; I221-I225 HydrophobicContact CG2-CD1 3.8Å; I221-I225 HydrophobicContact CG2-CG1 4.47Å; I221-I225 WeakPolarHBondContact O-CG1 3.41Å; I221-I225 PolarHBondContact O-N 3.38Å; I221-L252 HydrophobicContact CD1-CG 4.18Å; I221-L252 HydrophobicContact CG1-CD1 4.23Å; I221-L252 HydrophobicContact CG1-CD2 4Å; I221-L252 HydrophobicContact CG1-CG 3.86Å; I221-L287 HydrophobicContact CB-CD1 4.34Å; I221-L287 HydrophobicContact CD1-CD1 4.45Å; I221-L287 HydrophobicContact CG1-CD1 3.76Å; I221-L287 HydrophobicContact CG2-CD1 4.03Å |
| 222 | A | 95.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | E218 Q219 V220 I225 R226 V243 Q247 | E218-A222 WeakPolarHBondContact O-CB 3.42Å; E218-A222 PolarHBondContact O-N 3.49Å; Q219-A222 PolarHBondContact O-N 3.38Å; V220-A222 VanDerWaalsContact C-N 3.35Å; A222-I225 PolarHBondContact O-N 2.93Å; A222-R226 WeakPolarHBondContact O-CG 3.48Å; A222-R226 PolarHBondContact O-N 3.35Å; A222-V243 HydrophobicContact CB-CG1 3.65Å; A222-Q247 HydrophobicContact CB-CG 4.46Å |
| 223 | E | 95.1 | Very high | 91.5 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 22% | 0.22 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.6 | -34.7 | 178.4 | -167.4 | 55.7 | -151.5 | 0 | 0 | 112.8 | L209 I211 Q219 V220 I221 R226 K227 R230 | L209-E223 HydrophobicContact CD1-CB 4.26Å; L209-E223 HydrophobicContact CD1-CG 4.43Å; L209-E223 HydrophobicContact CD2-CG 4.29Å; I211-E223 HydrophobicContact CG2-CG 4.36Å; Q219-E223 PolarHBondContact O-N 2.93Å; V220-E223 PolarHBondContact O-N 2.86Å; I221-E223 VanDerWaalsContact C-N 3.3Å; I221-E223 PolarHBondContact O-N 3.09Å; E223-R226 PolarHBondContact O-N 2.77Å; E223-R226 IonicContact OE2-CZ 2.76Å; E223-R226 IonicContact OE2-NH1 2.72Å; E223-R226 PolarHBondContact OE2-NH1 3.14Å; E223-K227 WeakPolarHBondContact O-CB 3.28Å; E223-K227 PolarHBondContact O-N 3.39Å; E223-R230 IonicContact OE1-NH2 3.62Å |
| 224 | A | 94 | Very high | 91 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I194 L209 V220 I221 K227 K228 | I194-A224 HydrophobicContact CB-CB 4.36Å; I194-A224 HydrophobicContact CG1-CB 4.26Å; I194-A224 HydrophobicContact CG2-CB 4.1Å; L209-A224 HydrophobicContact CD1-CB 3.97Å; V220-A224 PolarHBondContact O-N 3.38Å; I221-A224 WeakPolarHBondContact O-CB 3.16Å; I221-A224 PolarHBondContact O-N 3.3Å; A224-K227 PolarHBondContact O-N 3.01Å; A224-K228 WeakPolarHBondContact O-CB 3.17Å; A224-K228 PolarHBondContact O-N 3.18Å |
| 225 | I | 91.3 | Very high | 90.5 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 176.8 | -66 | 162.8 | 0 | 0 | 0 | 110.1 | I221 A222 K227 K228 T229 V243 | I221-I225 HydrophobicContact CG2-CD1 3.8Å; I221-I225 HydrophobicContact CG2-CG1 4.47Å; I221-I225 WeakPolarHBondContact O-CG1 3.41Å; I221-I225 PolarHBondContact O-N 3.38Å; A222-I225 PolarHBondContact O-N 2.93Å; I225-K227 VanDerWaalsContact C-N 3.27Å; I225-K227 PolarHBondContact O-N 2.83Å; I225-K228 PolarHBondContact O-N 3.08Å; I225-K228 VanDerWaalsContact O-N 3.12Å; I225-T229 HydrophobicContact CG2-CG2 4.19Å; I225-T229 WeakPolarHBondContact O-CG2 3.32Å; I225-T229 PolarHBondContact O-N 2.89Å; I225-T229 PolarHBondContact O-OG1 3.4Å; I225-V243 HydrophobicContact CB-CG2 4.47Å; I225-V243 HydrophobicContact CG2-CG2 3.99Å |
| 226 | R | 91.4 | Very high | 89.9 | Confident | 96 Ų | 96 | 67 Ų | 67 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55.9 | -42.8 | 176.4 | -72.1 | -175.8 | -160.2 | 104.3 | 7.3 | 111.8 | A222 E223 T229 R230 L239 V243 | A222-R226 WeakPolarHBondContact O-CG 3.48Å; A222-R226 PolarHBondContact O-N 3.35Å; E223-R226 PolarHBondContact O-N 2.77Å; E223-R226 IonicContact OE2-CZ 2.76Å; E223-R226 IonicContact OE2-NH1 2.72Å; E223-R226 PolarHBondContact OE2-NH1 3.14Å; R226-T229 PolarHBondContact O-N 2.69Å; R226-T229 PolarHBondContact O-OG1 3.01Å; R226-R230 WeakPolarHBondContact O-CG 3.22Å; R226-R230 PolarHBondContact O-N 3.09Å; R226-L239 HydrophobicContact CG-CD1 4.44Å; R226-V243 HydrophobicContact CG-CG2 3.73Å |
| 227 | K | 90.4 | Very high | 89.4 | Confident | 83 Ų | 83 | 72.4 Ų | 72.4 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 179.4 | -169 | 163 | -175.8 | 160.7 | 0 | 112.1 | Y207 T208 L209 E223 A224 I225 | Y207-K227 HydrophobicContact CD1-CG 4.28Å; T208-K227 PolarHBondContact O-NZ 3.24Å; L209-K227 HydrophobicContact CD2-CB 4.03Å; L209-K227 HydrophobicContact CD2-CD 3.57Å; L209-K227 HydrophobicContact CD2-CG 4.42Å; E223-K227 WeakPolarHBondContact O-CB 3.28Å; E223-K227 PolarHBondContact O-N 3.39Å; A224-K227 PolarHBondContact O-N 3.01Å; I225-K227 VanDerWaalsContact C-N 3.27Å; I225-K227 PolarHBondContact O-N 2.83Å |
| 228 | K | 85.8 | Confident | 88.9 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 34% | 0.343 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 176.2 | 179.7 | 170.5 | -177.1 | 177.5 | 0 | 112.4 | Y207 A224 I225 R230 S231 | Y207-K228 HydrophobicContact CE1-CB 4.03Å; Y207-K228 HydrophobicContact CE1-CG 4.43Å; Y207-K228 WeakPolarHBondContact OH-CG 3.49Å; A224-K228 WeakPolarHBondContact O-CB 3.17Å; A224-K228 PolarHBondContact O-N 3.18Å; I225-K228 PolarHBondContact O-N 3.08Å; I225-K228 VanDerWaalsContact O-N 3.12Å; K228-R230 PolarHBondContact O-N 2.7Å; K228-S231 PolarHBondContact O-OG 3.36Å |
| 229 | T | 84.3 | Confident | 88.5 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -83.2 | -6.5 | -174.4 | 56.1 | 0 | 0 | 0 | 0 | 114.5 | I225 R226 S231 M232 L234 L239 | I225-T229 HydrophobicContact CG2-CG2 4.19Å; I225-T229 WeakPolarHBondContact O-CG2 3.32Å; I225-T229 PolarHBondContact O-N 2.89Å; I225-T229 PolarHBondContact O-OG1 3.4Å; R226-T229 PolarHBondContact O-N 2.69Å; R226-T229 PolarHBondContact O-OG1 3.01Å; T229-S231 PolarHBondContact O-N 2.81Å; T229-S231 VanDerWaalsContact O-N 3.08Å; T229-M232 HydrophobicContact CG2-SD 3.92Å; T229-M232 WeakPolarHBondContact O-CB 3.47Å; T229-M232 PolarHBondContact O-N 2.92Å; T229-L234 HydrophobicContact CG2-CD1 4.24Å; T229-L239 WeakPolarHBondContact OG1-CD1 3.28Å |
| 230 | R | 81.8 | Confident | 88.1 | Confident | 180 Ų | 180 | 77.5 Ų | 77.5 | 68% | 0.679 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28 | 176.4 | -85 | 173.4 | -166.4 | -164.9 | 5.7 | 114 | E223 R226 K228 | E223-R230 IonicContact OE1-NH2 3.62Å; R226-R230 WeakPolarHBondContact O-CG 3.22Å; R226-R230 PolarHBondContact O-N 3.09Å; K228-R230 PolarHBondContact O-N 2.7Å |
| 231 | S | 75.3 | Confident | 87.6 | Confident | 97 Ų | 97 | 82.7 Ų | 82.7 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -9 | 177.8 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | K228 T229 L233 | K228-S231 PolarHBondContact O-OG 3.36Å; T229-S231 PolarHBondContact O-N 2.81Å; T229-S231 VanDerWaalsContact O-N 3.08Å; S231-L233 PolarHBondContact O-N 3.39Å |
| 232 | M | 79.2 | Confident | 87.2 | Confident | 105 Ų | 105 | 83.7 Ų | 83.7 | 52% | 0.517 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 10.8 | -168.7 | -63.5 | -178.7 | 167.1 | 0 | 0 | 114.5 | T229 L234 | T229-M232 HydrophobicContact CG2-SD 3.92Å; T229-M232 WeakPolarHBondContact O-CB 3.47Å; T229-M232 PolarHBondContact O-N 2.92Å; M232-L234 HydrophobicContact CB-CD1 4.33Å; M232-L234 HydrophobicContact CB-CG 3.99Å; M232-L234 PolarHBondContact O-N 3.48Å |
| 233 | L | 83.1 | Confident | 87 | Confident | 172 Ų | 172 | 83.9 Ų | 83.9 | 90% | 0.901 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 31.3 | 177.9 | -61.6 | 171.9 | 0 | 0 | 0 | 114.5 | S231 | S231-L233 PolarHBondContact O-N 3.39Š|
| 234 | L | 86.4 | Confident | 86.7 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 35% | 0.351 | 43% | 0.429 | S | S | . | . | trans | -74.4 | 143.8 | 179.6 | -61 | 176.5 | 0 | 0 | 0 | 111.2 | T229 M232 Q238 | T229-L234 HydrophobicContact CG2-CD1 4.24Å; M232-L234 HydrophobicContact CB-CD1 4.33Å; M232-L234 HydrophobicContact CB-CG 3.99Å; M232-L234 PolarHBondContact O-N 3.48Å; L234-Q238 HydrophobicContact CB-CB 4.1Å; L234-Q238 HydrophobicContact CD2-CB 4.3Å | ||
| 235 | T | 87.8 | Confident | 86.4 | Confident | 74 Ų | 74 | 93.2 Ų | 93.2 | 45% | 0.454 | 45% | 0.449 | S | S | . | . | trans | -66.2 | 162 | 167.6 | 71 | 0 | 0 | 0 | 0 | 110.8 | E237 Q238 L239 | T235-E237 PolarHBondContact O-N 2.8Å; T235-Q238 PolarHBondContact O-N 3.44Å; T235-Q238 WeakPolarHBondContact OG1-CB 3.31Å; T235-Q238 VanDerWaalsContact OG1-CG 3.28Å; T235-Q238 WeakPolarHBondContact OG1-CG 3.44Å; T235-Q238 PolarHBondContact OG1-N 3.3Å; T235-Q238 PolarHBondContact OG1-OE1 2.92Å; T235-L239 WeakPolarHBondContact O-CB 3.25Å; T235-L239 PolarHBondContact O-N 2.93Å | ||
| 236 | Q | 84.4 | Confident | 86.3 | Confident | 165 Ų | 165 | 96.5 Ų | 96.5 | 77% | 0.771 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -58 | -35 | 177.3 | -76.4 | -171 | -6.1 | 0 | 0 | 112.8 | K240 | Q236-K240 WeakPolarHBondContact O-CG 3.32Å; Q236-K240 PolarHBondContact O-N 3.38Å; Q236-K240 VanDerWaalsContact O-N 3.07Å |
| 237 | E | 86.8 | Confident | 86.2 | Confident | 146 Ų | 146 | 94.1 Ų | 94.1 | 68% | 0.682 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -73.2 | -44.1 | 178.8 | -165.6 | 163.7 | -156.3 | 0 | 0 | 111.4 | T235 L239 K240 M241 | T235-E237 PolarHBondContact O-N 2.8Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 3.1Å; E237-K240 PolarHBondContact O-N 3.22Å; E237-M241 WeakPolarHBondContact O-CG 3.33Å; E237-M241 PolarHBondContact O-N 3.15Å |
| 238 | Q | 87.4 | Confident | 86.2 | Confident | 89 Ų | 89 | 92.1 Ų | 92.1 | 42% | 0.416 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 172.5 | -72.9 | 171.8 | -23.3 | 0 | 0 | 112.3 | L234 T235 M241 C242 | L234-Q238 HydrophobicContact CB-CB 4.1Å; L234-Q238 HydrophobicContact CD2-CB 4.3Å; T235-Q238 PolarHBondContact O-N 3.44Å; T235-Q238 WeakPolarHBondContact OG1-CB 3.31Å; T235-Q238 VanDerWaalsContact OG1-CG 3.28Å; T235-Q238 WeakPolarHBondContact OG1-CG 3.44Å; T235-Q238 PolarHBondContact OG1-N 3.3Å; T235-Q238 PolarHBondContact OG1-OE1 2.92Å; Q238-M241 HydrophobicContact CG-CE 4.36Å; Q238-M241 PolarHBondContact O-N 3.42Å; Q238-C242 VanDerWaalsContact O-CB 3.25Å; Q238-C242 WeakPolarHBondContact O-CB 3.42Å; Q238-C242 PolarHBondContact O-N 2.89Å |
| 239 | L | 87.4 | Confident | 86.6 | Confident | 51 Ų | 51 | 93 Ų | 93 | 27% | 0.267 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.9 | 177.9 | 61 | 0 | 0 | 0 | 111.6 | R226 T229 T235 E237 C242 V243 | R226-L239 HydrophobicContact CG-CD1 4.44Å; T229-L239 WeakPolarHBondContact OG1-CD1 3.28Å; T235-L239 WeakPolarHBondContact O-CB 3.25Å; T235-L239 PolarHBondContact O-N 2.93Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 3.1Å; L239-C242 PolarHBondContact O-N 2.87Å; L239-V243 HydrophobicContact CD1-CG2 4.34Å; L239-V243 WeakPolarHBondContact O-CG2 3.47Å; L239-V243 PolarHBondContact O-N 3.15Å |
| 240 | K | 88 | Confident | 87.1 | Confident | 142 Ų | 142 | 95.7 Ų | 95.7 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 176.2 | -78.9 | 179.1 | -179.4 | 178.4 | 0 | 111.4 | Q236 E237 C242 V243 Q244 | Q236-K240 WeakPolarHBondContact O-CG 3.32Å; Q236-K240 PolarHBondContact O-N 3.38Å; Q236-K240 VanDerWaalsContact O-N 3.07Å; E237-K240 PolarHBondContact O-N 3.22Å; K240-C242 VanDerWaalsContact C-N 3.34Å; K240-C242 PolarHBondContact O-N 3.43Å; K240-V243 PolarHBondContact O-N 3.32Å; K240-Q244 WeakPolarHBondContact O-CG 3.27Å; K240-Q244 PolarHBondContact O-N 3.43Å |
| 241 | M | 88.3 | Confident | 87.9 | Confident | 108 Ų | 108 | 87.5 Ų | 87.5 | 53% | 0.532 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 176.3 | -70 | -166.9 | -61 | 0 | 0 | 111.6 | E237 Q238 V243 Q244 E245 | E237-M241 WeakPolarHBondContact O-CG 3.33Å; E237-M241 PolarHBondContact O-N 3.15Å; Q238-M241 HydrophobicContact CG-CE 4.36Å; Q238-M241 PolarHBondContact O-N 3.42Å; M241-V243 PolarHBondContact O-N 3.32Å; M241-Q244 PolarHBondContact O-N 3.28Å; M241-E245 WeakPolarHBondContact O-CB 3.22Å; M241-E245 PolarHBondContact O-N 3.05Å |
| 242 | C | 88.3 | Confident | 89 | Confident | 25 Ų | 25 | 82.9 Ų | 82.9 | 17% | 0.169 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | Q238 L239 K240 Q244 E245 Y246 | Q238-C242 VanDerWaalsContact O-CB 3.25Å; Q238-C242 WeakPolarHBondContact O-CB 3.42Å; Q238-C242 PolarHBondContact O-N 2.89Å; L239-C242 PolarHBondContact O-N 2.87Å; K240-C242 VanDerWaalsContact C-N 3.34Å; K240-C242 PolarHBondContact O-N 3.43Å; C242-Q244 VanDerWaalsContact C-N 3.35Å; C242-Q244 PolarHBondContact O-N 3.34Å; C242-E245 PolarHBondContact O-N 2.78Å; C242-Y246 VanDerWaalsContact O-CD2 3.26Å; C242-Y246 WeakPolarHBondContact O-CD2 3.26Å; C242-Y246 PolarHBondContact O-N 3.38Å |
| 243 | V | 90.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 78.1 Ų | 78.1 | 4% | 0.042 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 111 | A222 I225 R226 L239 K240 M241 E245 Y246 Q247 | A222-V243 HydrophobicContact CB-CG1 3.65Å; I225-V243 HydrophobicContact CB-CG2 4.47Å; I225-V243 HydrophobicContact CG2-CG2 3.99Å; R226-V243 HydrophobicContact CG-CG2 3.73Å; L239-V243 HydrophobicContact CD1-CG2 4.34Å; L239-V243 WeakPolarHBondContact O-CG2 3.47Å; L239-V243 PolarHBondContact O-N 3.15Å; K240-V243 PolarHBondContact O-N 3.32Å; M241-V243 PolarHBondContact O-N 3.32Å; V243-E245 VanDerWaalsContact C-N 3.33Å; V243-E245 PolarHBondContact O-N 2.86Å; V243-Y246 PolarHBondContact O-N 3.05Å; V243-Q247 WeakPolarHBondContact O-CB 3.41Å; V243-Q247 PolarHBondContact O-N 2.84Å |
| 244 | Q | 88.8 | Confident | 90.6 | Very high | 149 Ų | 149 | 70 Ų | 70 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.2 | -40.7 | 178.7 | -74.2 | 174 | -17 | 0 | 0 | 112.5 | K240 M241 C242 | K240-Q244 WeakPolarHBondContact O-CG 3.27Å; K240-Q244 PolarHBondContact O-N 3.43Å; M241-Q244 PolarHBondContact O-N 3.28Å; C242-Q244 VanDerWaalsContact C-N 3.35Å; C242-Q244 PolarHBondContact O-N 3.34Å |
| 245 | E | 89 | Confident | 91.2 | Very high | 99 Ų | 99 | 66.8 Ų | 66.8 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | -179.5 | -163.1 | -157.4 | 143.7 | 0 | 0 | 112.4 | M241 C242 V243 K249 | M241-E245 WeakPolarHBondContact O-CB 3.22Å; M241-E245 PolarHBondContact O-N 3.05Å; C242-E245 PolarHBondContact O-N 2.78Å; V243-E245 VanDerWaalsContact C-N 3.33Å; V243-E245 PolarHBondContact O-N 2.86Å; E245-K249 WeakPolarHBondContact O-CE 3.39Å; E245-K249 IonicContact OE1-NZ 2.74Å; E245-K249 PolarHBondContact OE1-NZ 3.01Å |
| 246 | Y | 88.9 | Confident | 91.6 | Very high | 83 Ų | 83 | 63.3 Ų | 63.3 | 33% | 0.325 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -96 | -26.1 | -170.9 | -75.1 | -78.9 | 0 | 0 | 0 | 114 | C242 V243 G248 K249 Y250 | C242-Y246 VanDerWaalsContact O-CD2 3.26Å; C242-Y246 WeakPolarHBondContact O-CD2 3.26Å; C242-Y246 PolarHBondContact O-N 3.38Å; V243-Y246 PolarHBondContact O-N 3.05Å; Y246-G248 PolarHBondContact O-N 2.96Å; Y246-K249 HydrophobicContact CD1-CD 4.13Å; Y246-K249 PolarHBondContact O-N 2.95Å; Y246-Y250 AromaticContact CD1-CE2 3.82Å; Y246-Y250 HydrophobicContact CD1-CE2 3.82Å; Y246-Y250 HydrophobicContact CG-CE2 4.38Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.36Å |
| 247 | Q | 89.2 | Confident | 92.3 | Very high | 46 Ų | 46 | 55.9 Ų | 55.9 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.9 | -40.6 | -178.1 | 175.3 | 180 | -19.9 | 0 | 0 | 112.2 | E218 A222 V243 K249 | E218-Q247 HydrophobicContact CB-CG 4.22Å; A222-Q247 HydrophobicContact CB-CG 4.46Å; V243-Q247 WeakPolarHBondContact O-CB 3.41Å; V243-Q247 PolarHBondContact O-N 2.84Å; Q247-K249 VanDerWaalsContact C-N 3.33Å; Q247-K249 PolarHBondContact O-N 3.29Å |
| 248 | G | 89.6 | Confident | 92.8 | Very high | 41 Ų | 41 | 50 Ų | 50 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -13.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y246 K290 | Y246-G248 PolarHBondContact O-N 2.96Å; G248-K290 VanDerWaalsContact O-CD 3.25Å; G248-K290 WeakPolarHBondContact O-CD 3.38Å; G248-K290 WeakPolarHBondContact O-CE 3.25Å; G248-K290 PolarHBondContact O-NZ 3.36Å |
| 249 | K | 94 | Very high | 93.3 | Very high | 96 Ų | 96 | 47 Ų | 47 | 42% | 0.417 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -15.5 | -174.6 | -64.7 | -178.8 | -178.7 | 175.4 | 0 | 113.6 | E245 Y246 Q247 K290 | E245-K249 WeakPolarHBondContact O-CE 3.39Å; E245-K249 IonicContact OE1-NZ 2.74Å; E245-K249 PolarHBondContact OE1-NZ 3.01Å; Y246-K249 HydrophobicContact CD1-CD 4.13Å; Y246-K249 PolarHBondContact O-N 2.95Å; Q247-K249 VanDerWaalsContact C-N 3.33Å; Q247-K249 PolarHBondContact O-N 3.29Å; K249-K290 PolarHBondContact O-N 3.1Å |
| 250 | Y | 95.6 | Very high | 93.8 | Very high | 67 Ų | 67 | 44.9 Ų | 44.9 | 26% | 0.263 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 164.4 | -176.9 | -61.5 | -80.3 | 0 | 0 | 0 | 112.8 | Y246 L287 M288 K290 | Y246-Y250 AromaticContact CD1-CE2 3.82Å; Y246-Y250 HydrophobicContact CD1-CE2 3.82Å; Y246-Y250 HydrophobicContact CG-CE2 4.38Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.36Å; Y250-L287 HydrophobicContact CD1-CD2 4.17Å; Y250-L287 HydrophobicContact CD1-CG 3.94Å; Y250-L287 HydrophobicContact CD2-CD2 4.46Å; Y250-L287 HydrophobicContact CG-CD1 4.14Å; Y250-L287 HydrophobicContact CG-CD2 4.14Å; Y250-L287 HydrophobicContact CG-CG 3.98Å; Y250-M288 CarbonylContact C-O 3.59Å; Y250-M288 VanDerWaalsContact CA-O 3.22Å; Y250-M288 WeakPolarHBondContact CA-O 3.38Å; Y250-K290 WeakPolarHBondContact O-CE 3.35Å |
| 251 | I | 97.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 166.3 | 172.5 | 49.6 | 169.6 | 0 | 0 | 0 | 109.5 | Y260 L262 M288 K290 L293 | I251-Y260 HydrophobicContact CD1-CD1 4.02Å; I251-Y260 HydrophobicContact CD1-CE1 4.44Å; I251-L262 HydrophobicContact CB-CD2 4.35Å; I251-L262 HydrophobicContact CD1-CD2 4.04Å; I251-L262 HydrophobicContact CG2-CD2 3.97Å; I251-M288 HydrophobicContact CG1-CB 4.2Å; I251-M288 WeakPolarHBondContact CG1-O 3.38Å; I251-M288 PolarHBondContact N-O 3.13Å; I251-M288 PolarHBondContact O-N 3.29Å; I251-K290 HydrophobicContact CG1-CG 4.46Å; I251-K290 HydrophobicContact CG2-CD 4.22Å; I251-K290 HydrophobicContact CG2-CG 3.58Å; I251-L293 HydrophobicContact CD1-CB 3.87Å; I251-L293 HydrophobicContact CD1-CD2 3.35Å; I251-L293 HydrophobicContact CD1-CG 4.22Å |
| 252 | L | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.7 | 174.6 | -62.2 | 172.4 | 0 | 0 | 0 | 110.2 | I194 P217 V220 I221 Y260 L261 L285 M286 L287 | I194-L252 HydrophobicContact CD1-CD2 4.1Å; P217-L252 HydrophobicContact CB-CD1 4.15Å; V220-L252 HydrophobicContact CB-CD1 3.99Å; V220-L252 HydrophobicContact CG1-CD1 4.01Å; I221-L252 HydrophobicContact CD1-CG 4.18Å; I221-L252 HydrophobicContact CG1-CD1 4.23Å; I221-L252 HydrophobicContact CG1-CD2 4Å; I221-L252 HydrophobicContact CG1-CG 3.86Å; L252-Y260 WeakPolarHBondContact O-CA 3.01Å; L252-L261 HydrophobicContact CB-CB 4.19Å; L252-L261 HydrophobicContact CB-CD2 4.31Å; L252-L261 HydrophobicContact CD1-CD2 4.31Å; L252-L261 PolarHBondContact O-N 3.26Å; L252-L285 HydrophobicContact CD1-CD1 4.07Å; L252-L285 HydrophobicContact CD2-CB 4.46Å; L252-M286 WeakPolarHBondContact CA-O 3.41Å; L252-L287 HydrophobicContact CD2-CD1 3.96Å |
| 253 | K | 98.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144.7 | 170.7 | -171.9 | -172.6 | -165.7 | -84.3 | 0 | 109.1 | C257 D258 E259 Y260 L285 M286 M288 D787 | K253-C257 VanDerWaalsContact NZ-C 3.27Å; K253-C257 PolarHBondContact NZ-O 3.41Å; K253-D258 WeakPolarHBondContact CE-OD1 3.39Å; K253-D258 IonicContact NZ-OD1 3.84Å; K253-D258 PolarHBondContact NZ-OD1 3.45Å; K253-E259 CarbonylContact C-O 3.54Å; K253-E259 WeakPolarHBondContact CA-O 3.34Å; K253-Y260 HydrophobicContact CB-CD1 3.85Å; K253-Y260 HydrophobicContact CB-CE1 3.86Å; K253-Y260 HydrophobicContact CD-CD1 4.48Å; K253-Y260 HydrophobicContact CD-CE1 3.71Å; K253-Y260 WeakPolarHBondContact CE-OH 3.41Å; K253-Y260 HydrophobicContact CG-CD1 3.87Å; K253-Y260 HydrophobicContact CG-CE1 3.6Å; K253-Y260 HydrophobicContact CG-CE2 4.47Å; K253-Y260 HydrophobicContact CG-CG 4.42Å; K253-L285 CarbonylContact O-C 3.56Å; K253-L285 VanDerWaalsContact O-CA 3.28Å; K253-L285 WeakPolarHBondContact O-CA 3.47Å; K253-M286 HydrophobicContact CB-CB 4.5Å; K253-M286 HydrophobicContact CB-CE 4.31Å; K253-M286 HydrophobicContact CD-CE 3.57Å; K253-M286 HydrophobicContact CG-CE 4.49Å; K253-M286 PolarHBondContact N-O 2.64Å; K253-M286 PolarHBondContact O-N 2.93Å; K253-M288 HydrophobicContact CD-CE 3.81Å; K253-D787 IonicContact NZ-OD2 3.17Å; K253-D787 PolarHBondContact NZ-OD2 3.44Å |
| 254 | V | 98.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 131.7 | 168.6 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | G256 E259 L261 Y272 L285 | V254-G256 PolarHBondContact O-N 2.94Å; V254-E259 HydrophobicContact CB-CB 4.14Å; V254-E259 HydrophobicContact CG2-CB 3.92Å; V254-E259 HydrophobicContact CG2-CG 4.09Å; V254-E259 PolarHBondContact N-O 2.67Å; V254-L261 HydrophobicContact CG2-CD1 4.16Å; V254-Y272 HydrophobicContact CB-CD1 4.47Å; V254-Y272 HydrophobicContact CG1-CD1 3.9Å; V254-Y272 HydrophobicContact CG1-CD2 3.67Å; V254-Y272 HydrophobicContact CG1-CE1 3.86Å; V254-Y272 HydrophobicContact CG1-CE2 3.61Å; V254-Y272 HydrophobicContact CG1-CG 3.82Å; V254-Y272 HydrophobicContact CG2-CD1 3.75Å; V254-Y272 HydrophobicContact CG2-CE1 4.31Å; V254-Y272 HydrophobicContact CG2-CG 3.89Å; V254-L285 HydrophobicContact CG2-CD2 4.1Å |
| 255 | C | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 130.8 | 177 | -70.3 | 0 | 0 | 0 | 0 | 110.7 | N284 L285 M789 L792 L793 | C255-N284 HydrophobicContact CB-CB 3.97Å; C255-N284 PolarHBondContact N-O 3.5Å; C255-N284 VanDerWaalsContact N-O 3.1Å; C255-L285 VanDerWaalsContact SG-C 3.58Å; C255-M789 HydrophobicContact CB-CB 3.74Å; C255-M789 HydrophobicContact CB-CG 4.37Å; C255-L792 HydrophobicContact CB-CB 4.02Å; C255-L792 HydrophobicContact CB-CD1 3.89Å; C255-L793 WeakPolarHBondContact O-CB 3.15Å |
| 256 | G | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -4.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | V254 N785 D787 | V254-G256 PolarHBondContact O-N 2.94Å; G256-N785 PolarHBondContact O-ND2 3.44Å; G256-D787 WeakPolarHBondContact CA-OD1 3.48Å; G256-D787 PolarHBondContact N-OD1 2.84Å |
| 257 | C | 97.8 | Very high | 96.7 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -154.3 | 163.4 | 176.3 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | K253 E259 A758 L793 | K253-C257 VanDerWaalsContact NZ-C 3.27Å; K253-C257 PolarHBondContact NZ-O 3.41Å; C257-E259 PolarHBondContact O-N 3.12Å; C257-A758 WeakPolarHBondContact CB-O 3.34Å; C257-L793 HydrophobicContact CB-CD2 3.88Å |
| 258 | D | 97.6 | Very high | 97.1 | Very high | 24 Ų | 24 | 30 Ų | 30 | 13% | 0.128 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -85.2 | 58.1 | -178.5 | -66.4 | -21.3 | 0 | 0 | 0 | 112.5 | Y167 K253 Y260 A758 Q760 | Y167-D258 HydrophobicContact CE1-CB 4.11Å; K253-D258 WeakPolarHBondContact CE-OD1 3.39Å; K253-D258 IonicContact NZ-OD1 3.84Å; K253-D258 PolarHBondContact NZ-OD1 3.45Å; D258-Y260 HydrophobicContact CB-CE2 4.19Å; D258-A758 PolarHBondContact N-O 3.3Å; D258-Q760 PolarHBondContact OD2-NE2 3.41Å |
| 259 | E | 98.3 | Very high | 97.5 | Very high | 24 Ų | 24 | 29 Ų | 29 | 11% | 0.112 | 13% | 0.131 | C | C | . | . | trans | -114.1 | 130.5 | 172.2 | -171.9 | 173.1 | 129.7 | 0 | 0 | 110 | N170 K253 V254 C257 | N170-E259 HydrophobicContact CB-CG 4.14Å; N170-E259 PolarHBondContact ND2-OE2 2.67Å; K253-E259 CarbonylContact C-O 3.54Å; K253-E259 WeakPolarHBondContact CA-O 3.34Å; V254-E259 HydrophobicContact CB-CB 4.14Å; V254-E259 HydrophobicContact CG2-CB 3.92Å; V254-E259 HydrophobicContact CG2-CG 4.09Å; V254-E259 PolarHBondContact N-O 2.67Å; C257-E259 PolarHBondContact O-N 3.12Å | ||
| 260 | Y | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.027 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.1 | -172.6 | -61.3 | -97.5 | 0 | 0 | 0 | 111.4 | Y167 I251 L252 K253 D258 L262 M288 L293 | Y167-Y260 AromaticContact CD1-CD2 3.66Å; Y167-Y260 HydrophobicContact CD1-CD2 3.66Å; Y167-Y260 AromaticContact CD1-CE2 3.54Å; Y167-Y260 HydrophobicContact CD1-CE2 3.54Å; Y167-Y260 HydrophobicContact CD2-CD2 4.13Å; Y167-Y260 HydrophobicContact CD2-CE2 4.05Å; Y167-Y260 HydrophobicContact CE1-CD2 4.31Å; Y167-Y260 AromaticContact CE1-CE2 3.71Å; Y167-Y260 HydrophobicContact CE1-CE2 3.71Å; Y167-Y260 HydrophobicContact CE2-CE2 4.19Å; Y167-Y260 AromaticContact CG-CD2 3.55Å; Y167-Y260 HydrophobicContact CG-CD2 3.55Å; Y167-Y260 AromaticContact CG-CE2 3.72Å; Y167-Y260 HydrophobicContact CG-CE2 3.72Å; I251-Y260 HydrophobicContact CD1-CD1 4.02Å; I251-Y260 HydrophobicContact CD1-CE1 4.44Å; L252-Y260 WeakPolarHBondContact O-CA 3.01Å; K253-Y260 HydrophobicContact CB-CD1 3.85Å; K253-Y260 HydrophobicContact CB-CE1 3.86Å; K253-Y260 HydrophobicContact CD-CD1 4.48Å; K253-Y260 HydrophobicContact CD-CE1 3.71Å; K253-Y260 WeakPolarHBondContact CE-OH 3.41Å; K253-Y260 HydrophobicContact CG-CD1 3.87Å; K253-Y260 HydrophobicContact CG-CE1 3.6Å; K253-Y260 HydrophobicContact CG-CE2 4.47Å; K253-Y260 HydrophobicContact CG-CG 4.42Å; D258-Y260 HydrophobicContact CB-CE2 4.19Å; Y260-L262 PolarHBondContact O-N 2.85Å; Y260-M288 HydrophobicContact CE1-CE 4.44Å; Y260-M288 HydrophobicContact CE1-SD 4.07Å; Y260-L293 HydrophobicContact CD1-CD2 4.11Å; Y260-L293 HydrophobicContact CE1-CD1 3.86Å; Y260-L293 HydrophobicContact CE1-CD2 4.19Å; Y260-L293 HydrophobicContact CE2-CD1 4.37Å |
| 261 | L | 98.2 | Very high | 97.9 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 80.4 | 176.9 | -72 | 61.7 | 0 | 0 | 0 | 108.3 | P217 L252 V254 L267 Y270 L285 | P217-L261 HydrophobicContact CB-CB 4.15Å; P217-L261 HydrophobicContact CG-CB 3.81Å; P217-L261 HydrophobicContact CG-CD2 4.24Å; L252-L261 HydrophobicContact CB-CB 4.19Å; L252-L261 HydrophobicContact CB-CD2 4.31Å; L252-L261 HydrophobicContact CD1-CD2 4.31Å; L252-L261 PolarHBondContact O-N 3.26Å; V254-L261 HydrophobicContact CG2-CD1 4.16Å; L261-L267 HydrophobicContact CD2-CD1 3.42Å; L261-L267 VanDerWaalsContact CD2-CD1 3.42Å; L261-Y270 HydrophobicContact CB-CE1 3.97Å; L261-Y270 HydrophobicContact CB-CE2 4.23Å; L261-Y270 HydrophobicContact CD1-CD1 4.25Å; L261-Y270 HydrophobicContact CD1-CE1 4.37Å; L261-Y270 HydrophobicContact CD2-CD2 4.13Å; L261-Y270 HydrophobicContact CD2-CE2 4.18Å; L261-Y270 HydrophobicContact CD2-CG 4.35Å; L261-Y270 HydrophobicContact CG-CD1 3.77Å; L261-Y270 HydrophobicContact CG-CD2 4.05Å; L261-Y270 HydrophobicContact CG-CE1 3.62Å; L261-Y270 HydrophobicContact CG-CE2 3.9Å; L261-Y270 HydrophobicContact CG-CG 3.97Å; L261-L285 HydrophobicContact CD1-CD2 4.5Å; L261-L285 HydrophobicContact CD2-CD1 4.25Å |
| 262 | L | 96.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 25.3 Ų | 25.3 | 10% | 0.099 | 12% | 0.116 | C | C | . | . | trans | -92.3 | -17.5 | -172.7 | -59.8 | -177.6 | 0 | 0 | 0 | 113.9 | A163 L164 Y167 I251 Y260 L293 | A163-L262 HydrophobicContact CB-CD1 3.96Å; L164-L262 HydrophobicContact CD2-CB 3.73Å; L164-L262 HydrophobicContact CD2-CD1 4.22Å; Y167-L262 WeakPolarHBondContact O-CD1 3.47Å; I251-L262 HydrophobicContact CB-CD2 4.35Å; I251-L262 HydrophobicContact CD1-CD2 4.04Å; I251-L262 HydrophobicContact CG2-CD2 3.97Å; Y260-L262 PolarHBondContact O-N 2.85Å; L262-L293 HydrophobicContact CD2-CD2 4.15Å | ||
| 263 | E | 96.5 | Very high | 97.9 | Very high | 63 Ų | 63 | 25.4 Ų | 25.4 | 29% | 0.294 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -115.9 | 161.6 | -173.7 | -82.3 | -59.3 | 148.7 | 0 | 0 | 113.3 | H160 L164 P169 Y265 Y270 | H160-E263 IonicContact NE2-OE1 3.29Å; L164-E263 WeakPolarHBondContact CD1-OE1 3.4Å; L164-E263 HydrophobicContact CD2-CG 3.73Å; P169-E263 HydrophobicContact CG-CB 3.7Å; P169-E263 HydrophobicContact CG-CG 3.62Å; E263-Y265 HydrophobicContact CB-CD2 3.53Å; E263-Y265 HydrophobicContact CB-CE2 3.57Å; E263-Y265 HydrophobicContact CG-CE2 4.2Å; E263-Y265 PolarHBondContact O-N 3.4Å; E263-Y270 PolarHBondContact N-OH 2.7Å; E263-Y270 PolarHBondContact O-OH 3.02Å |
| 264 | K | 96.9 | Very high | 97.9 | Very high | 141 Ų | 141 | 25.7 Ų | 25.7 | 61% | 0.613 | 12% | 0.117 | S | C | * | . | trans | -80.2 | 44.7 | -175.7 | -61.6 | -175.3 | -179.9 | -176.2 | 0 | 113.6 | E218 | E218-K264 VanDerWaalsContact OE1-CE 3.29Å; E218-K264 WeakPolarHBondContact OE1-CE 3.47Å; E218-K264 IonicContact OE1-NZ 2.73Å | ||
| 265 | Y | 98.2 | Very high | 97.8 | Very high | 90 Ų | 90 | 28.2 Ų | 28.2 | 35% | 0.353 | 14% | 0.135 | S | C | . | . | trans | -82.8 | 146.3 | 170.8 | -66.4 | -73.5 | 0 | 0 | 0 | 111.3 | P169 V171 P217 E263 L267 Q269 | P169-Y265 HydrophobicContact CB-CD2 4.2Å; P169-Y265 HydrophobicContact CB-CE2 4.09Å; P169-Y265 HydrophobicContact CG-CE2 4.23Å; V171-Y265 HydrophobicContact CG1-CD2 3.8Å; V171-Y265 HydrophobicContact CG1-CE2 4.33Å; V171-Y265 HydrophobicContact CG1-CG 3.98Å; V171-Y265 HydrophobicContact CG2-CE2 4.28Å; P217-Y265 VanDerWaalsContact CD-O 3.31Å; P217-Y265 WeakPolarHBondContact CD-O 3.45Å; E263-Y265 HydrophobicContact CB-CD2 3.53Å; E263-Y265 HydrophobicContact CB-CE2 3.57Å; E263-Y265 HydrophobicContact CG-CE2 4.2Å; E263-Y265 PolarHBondContact O-N 3.4Å; Y265-L267 PolarHBondContact O-N 2.98Å; Y265-Q269 VanDerWaalsContact CD1-OE1 3.32Å | ||
| 266 | P | 98.3 | Very high | 97.7 | Very high | 30 Ų | 30 | 28.5 Ų | 28.5 | 20% | 0.195 | 14% | 0.137 | C | C | . | . | trans | -50.2 | 137.8 | 165.7 | -27 | 35.9 | 0 | 0 | 0 | 111.3 | A175 D214 S268 Q269 | A175-P266 HydrophobicContact CB-CG 4.14Å; D214-P266 HydrophobicContact CB-CB 4.43Å; P266-S268 VanDerWaalsContact C-N 3.27Å; P266-S268 PolarHBondContact O-N 3.23Å; P266-Q269 HydrophobicContact CB-CB 4.39Å; P266-Q269 VanDerWaalsContact O-CB 3.28Å; P266-Q269 WeakPolarHBondContact O-CB 3.2Å; P266-Q269 PolarHBondContact O-N 2.89Å | ||
| 267 | L | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -56.1 | -43 | -174.4 | -167.6 | 65.3 | 0 | 0 | 0 | 112.2 | V192 I211 H213 S215 V220 L261 Y265 Q269 Y270 I273 L285 | V192-L267 HydrophobicContact CG1-CD2 3.97Å; I211-L267 HydrophobicContact CD1-CD2 3.61Å; H213-L267 PolarHBondContact O-N 3.45Å; S215-L267 VanDerWaalsContact O-CB 3.3Å; S215-L267 WeakPolarHBondContact O-CB 3.36Å; S215-L267 PolarHBondContact O-N 3.24Å; V220-L267 HydrophobicContact CG2-CD2 4.19Å; L261-L267 HydrophobicContact CD2-CD1 3.42Å; L261-L267 VanDerWaalsContact CD2-CD1 3.42Å; Y265-L267 PolarHBondContact O-N 2.98Å; L267-Q269 PolarHBondContact O-N 2.84Å; L267-Y270 PolarHBondContact O-N 3.45Å; L267-Y270 VanDerWaalsContact O-N 3.14Å; L267-I273 HydrophobicContact CD1-CD1 4.11Å; L267-I273 HydrophobicContact CD1-CG1 3.99Å; L267-I273 HydrophobicContact CD2-CD1 4.49Å; L267-I273 HydrophobicContact CG-CD1 4.09Å; L267-I273 HydrophobicContact CG-CG1 3.9Å; L267-I273 HydrophobicContact CG-CG2 4.11Å; L267-I273 WeakPolarHBondContact O-CB 3.45Å; L267-I273 VanDerWaalsContact O-CG1 3.3Å; L267-I273 WeakPolarHBondContact O-CG1 3.44Å; L267-I273 WeakPolarHBondContact O-CG2 3.35Å; L267-L285 HydrophobicContact CD1-CD1 4.31Å |
| 268 | S | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -65.4 | -9.9 | 176.3 | 54.7 | 0 | 0 | 0 | 0 | 115.6 | H213 P266 R274 | H213-S268 PolarHBondContact ND1-OG 2.76Å; H213-S268 WeakPolarHBondContact O-CB 3.4Å; H213-S268 PolarHBondContact O-N 3.16Å; H213-S268 PolarHBondContact O-OG 3.04Å; P266-S268 VanDerWaalsContact C-N 3.27Å; P266-S268 PolarHBondContact O-N 3.23Å; S268-R274 PolarHBondContact O-NE 2.87Å; S268-R274 PolarHBondContact O-NH2 3.29Å |
| 269 | Q | 98.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 32 Ų | 32 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -84 | -21.8 | 173.3 | -165.3 | 177 | -3.3 | 0 | 0 | 112.2 | V171 E172 Y265 P266 L267 K271 | V171-Q269 CarbonylContact C-O 3.58Å; V171-Q269 WeakPolarHBondContact CA-O 3.28Å; V171-Q269 HydrophobicContact CB-CG 4.27Å; E172-Q269 HydrophobicContact CB-CG 4.36Å; E172-Q269 PolarHBondContact N-O 2.85Å; E172-Q269 PolarHBondContact O-NE2 2.71Å; Y265-Q269 VanDerWaalsContact CD1-OE1 3.32Å; P266-Q269 HydrophobicContact CB-CB 4.39Å; P266-Q269 VanDerWaalsContact O-CB 3.28Å; P266-Q269 WeakPolarHBondContact O-CB 3.2Å; P266-Q269 PolarHBondContact O-N 2.89Å; L267-Q269 PolarHBondContact O-N 2.84Å; Q269-K271 PolarHBondContact O-N 2.89Å |
| 270 | Y | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -67.6 | 130.4 | 172.9 | -73.7 | -89.9 | 0 | 0 | 0 | 110.4 | P169 N170 V171 P217 L261 E263 L267 Y272 I273 R274 | P169-Y270 HydrophobicContact CB-CE1 4Å; N170-Y270 WeakPolarHBondContact O-CA 3.38Å; V171-Y270 HydrophobicContact CG1-CD1 3.67Å; V171-Y270 HydrophobicContact CG1-CD2 4.4Å; V171-Y270 HydrophobicContact CG1-CE1 3.77Å; V171-Y270 HydrophobicContact CG1-CE2 4.5Å; V171-Y270 HydrophobicContact CG1-CG 4.02Å; P217-Y270 HydrophobicContact CG-CE2 4.05Å; L261-Y270 HydrophobicContact CB-CE1 3.97Å; L261-Y270 HydrophobicContact CB-CE2 4.23Å; L261-Y270 HydrophobicContact CD1-CD1 4.25Å; L261-Y270 HydrophobicContact CD1-CE1 4.37Å; L261-Y270 HydrophobicContact CD2-CD2 4.13Å; L261-Y270 HydrophobicContact CD2-CE2 4.18Å; L261-Y270 HydrophobicContact CD2-CG 4.35Å; L261-Y270 HydrophobicContact CG-CD1 3.77Å; L261-Y270 HydrophobicContact CG-CD2 4.05Å; L261-Y270 HydrophobicContact CG-CE1 3.62Å; L261-Y270 HydrophobicContact CG-CE2 3.9Å; L261-Y270 HydrophobicContact CG-CG 3.97Å; E263-Y270 PolarHBondContact N-OH 2.7Å; E263-Y270 PolarHBondContact O-OH 3.02Å; L267-Y270 PolarHBondContact O-N 3.45Å; L267-Y270 VanDerWaalsContact O-N 3.14Å; Y270-Y272 VanDerWaalsContact C-N 3.28Å; Y270-Y272 PolarHBondContact O-N 2.9Å; Y270-I273 PolarHBondContact O-N 2.93Å; Y270-R274 PolarHBondContact O-N 2.95Å |
| 271 | K | 98.1 | Very high | 96.6 | Very high | 62 Ų | 62 | 41.3 Ų | 41.3 | 27% | 0.27 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.8 | -38.9 | -173.1 | -64 | -161.6 | -177.5 | 172.8 | 0 | 112.6 | N170 V171 E172 Q269 I273 R274 S275 D626 | N170-K271 PolarHBondContact O-N 2.83Å; N170-K271 WeakPolarHBondContact OD1-CD 3.42Å; V171-K271 VanDerWaalsContact O-CE 3.29Å; V171-K271 WeakPolarHBondContact O-CE 3.47Å; E172-K271 HydrophobicContact CG-CG 4.18Å; Q269-K271 PolarHBondContact O-N 2.89Å; K271-I273 VanDerWaalsContact C-N 3.34Å; K271-I273 PolarHBondContact O-N 3.41Å; K271-R274 PolarHBondContact O-N 3.1Å; K271-S275 VanDerWaalsContact O-CB 3.23Å; K271-S275 WeakPolarHBondContact O-CB 3.42Å; K271-S275 PolarHBondContact O-N 2.74Å; K271-D626 VanDerWaalsContact CE-OD1 3.23Å; K271-D626 WeakPolarHBondContact CE-OD1 3.44Å; K271-D626 IonicContact NZ-OD1 2.85Å; K271-D626 PolarHBondContact NZ-OD1 3.07Å |
| 272 | Y | 98.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 13% | 0.129 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.8 | -46.3 | 173.6 | 172.2 | -106.3 | 0 | 0 | 0 | 112.4 | V254 Y270 C276 P283 N284 L285 L793 | V254-Y272 HydrophobicContact CB-CD1 4.47Å; V254-Y272 HydrophobicContact CG1-CD1 3.9Å; V254-Y272 HydrophobicContact CG1-CD2 3.67Å; V254-Y272 HydrophobicContact CG1-CE1 3.86Å; V254-Y272 HydrophobicContact CG1-CE2 3.61Å; V254-Y272 HydrophobicContact CG1-CG 3.82Å; V254-Y272 HydrophobicContact CG2-CD1 3.75Å; V254-Y272 HydrophobicContact CG2-CE1 4.31Å; V254-Y272 HydrophobicContact CG2-CG 3.89Å; Y270-Y272 VanDerWaalsContact C-N 3.28Å; Y270-Y272 PolarHBondContact O-N 2.9Å; Y272-C276 PolarHBondContact O-N 2.75Å; Y272-C276 PolarHBondContact O-SG 2.96Å; Y272-P283 HydrophobicContact CE1-CB 4.02Å; Y272-N284 PolarHBondContact OH-N 3.28Å; Y272-N284 PolarHBondContact OH-O 2.79Å; Y272-L285 HydrophobicContact CD1-CD2 4.13Å; Y272-L285 HydrophobicContact CE1-CD2 3.88Å; Y272-L793 HydrophobicContact CE2-CD1 4.31Å |
| 273 | I | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.7 | -45.9 | -179.3 | -54.7 | -65.9 | 0 | 0 | 0 | 110.4 | I190 L267 Y270 K271 S275 C276 I277 P283 L285 | I190-I273 HydrophobicContact CD1-CG2 3.92Å; L267-I273 HydrophobicContact CD1-CD1 4.11Å; L267-I273 HydrophobicContact CD1-CG1 3.99Å; L267-I273 HydrophobicContact CD2-CD1 4.49Å; L267-I273 HydrophobicContact CG-CD1 4.09Å; L267-I273 HydrophobicContact CG-CG1 3.9Å; L267-I273 HydrophobicContact CG-CG2 4.11Å; L267-I273 WeakPolarHBondContact O-CB 3.45Å; L267-I273 VanDerWaalsContact O-CG1 3.3Å; L267-I273 WeakPolarHBondContact O-CG1 3.44Å; L267-I273 WeakPolarHBondContact O-CG2 3.35Å; Y270-I273 PolarHBondContact O-N 2.93Å; K271-I273 VanDerWaalsContact C-N 3.34Å; K271-I273 PolarHBondContact O-N 3.41Å; I273-S275 VanDerWaalsContact C-N 3.29Å; I273-S275 PolarHBondContact O-N 2.88Å; I273-C276 WeakPolarHBondContact O-CB 3.45Å; I273-C276 PolarHBondContact O-N 2.96Å; I273-C276 VanDerWaalsContact O-N 3.12Å; I273-I277 HydrophobicContact CG2-CD1 4.2Å; I273-I277 WeakPolarHBondContact O-CG1 3.38Å; I273-I277 PolarHBondContact O-N 2.88Å; I273-P283 HydrophobicContact CD1-CB 3.71Å; I273-P283 HydrophobicContact CD1-CG 4.13Å; I273-L285 HydrophobicContact CD1-CD1 4.35Å; I273-L285 HydrophobicContact CD1-CD2 4.32Å |
| 274 | R | 97.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 43 Ų | 43 | 5% | 0.045 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.6 | -46.6 | 176 | -174.1 | 68 | 64.3 | 119.5 | -7.5 | 110.9 | E172 E176 S268 Y270 K271 C276 I277 M278 | E172-R274 HydrophobicContact CG-CB 4.47Å; E172-R274 HydrophobicContact CG-CG 4.34Å; E176-R274 PolarHBondContact O-NH1 2.79Å; E176-R274 PolarHBondContact O-NH2 2.64Å; S268-R274 PolarHBondContact O-NE 2.87Å; S268-R274 PolarHBondContact O-NH2 3.29Å; Y270-R274 PolarHBondContact O-N 2.95Å; K271-R274 PolarHBondContact O-N 3.1Å; R274-C276 PolarHBondContact O-N 3.45Å; R274-I277 PolarHBondContact O-N 2.92Å; R274-M278 HydrophobicContact CG-SD 4.32Å; R274-M278 WeakPolarHBondContact O-CG 3.28Å; R274-M278 PolarHBondContact O-N 3.4Å |
| 275 | S | 96.1 | Very high | 96.7 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 38% | 0.378 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 175.3 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | K271 I273 I277 M278 L279 | K271-S275 VanDerWaalsContact O-CB 3.23Å; K271-S275 WeakPolarHBondContact O-CB 3.42Å; K271-S275 PolarHBondContact O-N 2.74Å; I273-S275 VanDerWaalsContact C-N 3.29Å; I273-S275 PolarHBondContact O-N 2.88Å; S275-I277 PolarHBondContact O-N 3.31Å; S275-M278 PolarHBondContact O-N 2.98Å; S275-L279 WeakPolarHBondContact O-CB 3.28Å; S275-L279 VanDerWaalsContact O-CG 3.28Å; S275-L279 WeakPolarHBondContact O-CG 3.46Å; S275-L279 PolarHBondContact O-N 3.08Å |
| 276 | C | 97.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 175.5 | -72 | 0 | 0 | 0 | 0 | 112.3 | Y272 I273 R274 L279 G280 R281 P283 | Y272-C276 PolarHBondContact O-N 2.75Å; Y272-C276 PolarHBondContact O-SG 2.96Å; I273-C276 WeakPolarHBondContact O-CB 3.45Å; I273-C276 PolarHBondContact O-N 2.96Å; I273-C276 VanDerWaalsContact O-N 3.12Å; R274-C276 PolarHBondContact O-N 3.45Å; C276-L279 PolarHBondContact O-N 2.91Å; C276-G280 PolarHBondContact O-N 2.87Å; C276-R281 HydrophobicContact CB-CB 4.39Å; C276-R281 WeakPolarHBondContact CB-O 3.47Å; C276-R281 PolarHBondContact O-N 2.91Å; C276-P283 HydrophobicContact CB-CB 4.49Å; C276-P283 HydrophobicContact CB-CG 3.75Å |
| 277 | I | 96.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.7 | -60.7 | 164.6 | 0 | 0 | 0 | 110.5 | I181 K184 L185 I190 I273 R274 S275 L279 G280 | I181-I277 HydrophobicContact CG2-CB 4.32Å; I181-I277 HydrophobicContact CG2-CG2 3.63Å; K184-I277 HydrophobicContact CB-CG2 4.19Å; K184-I277 WeakPolarHBondContact CD-O 3.48Å; L185-I277 HydrophobicContact CD2-CD1 4.11Å; L185-I277 HydrophobicContact CD2-CG1 4.02Å; L185-I277 HydrophobicContact CD2-CG2 3.9Å; L185-I277 HydrophobicContact CG-CG2 4.24Å; I190-I277 HydrophobicContact CD1-CD1 4.01Å; I190-I277 HydrophobicContact CD1-CG1 3.6Å; I273-I277 HydrophobicContact CG2-CD1 4.2Å; I273-I277 WeakPolarHBondContact O-CG1 3.38Å; I273-I277 PolarHBondContact O-N 2.88Å; R274-I277 PolarHBondContact O-N 2.92Å; S275-I277 PolarHBondContact O-N 3.31Å; I277-L279 VanDerWaalsContact C-N 3.35Å; I277-L279 PolarHBondContact O-N 2.77Å; I277-G280 PolarHBondContact O-N 2.73Å |
| 278 | M | 92.5 | Very high | 96.4 | Very high | 33 Ų | 33 | 33.7 Ų | 33.7 | 16% | 0.163 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 179.9 | -70.2 | 176.5 | 69.4 | 0 | 0 | 112 | I181 R274 S275 G280 Q825 R832 | I181-M278 HydrophobicContact CD1-CG 3.83Å; I181-M278 HydrophobicContact CD1-SD 3.92Å; I181-M278 HydrophobicContact CG1-CG 4.22Å; I181-M278 HydrophobicContact CG2-CG 4.42Å; R274-M278 HydrophobicContact CG-SD 4.32Å; R274-M278 WeakPolarHBondContact O-CG 3.28Å; R274-M278 PolarHBondContact O-N 3.4Å; S275-M278 PolarHBondContact O-N 2.98Å; M278-G280 VanDerWaalsContact C-N 3.32Å; M278-G280 PolarHBondContact O-N 2.98Å; M278-Q825 HydrophobicContact CE-CG 4.31Å; M278-R832 PolarHBondContact O-NH2 2.84Å |
| 279 | L | 90.7 | Very high | 96.3 | Very high | 62 Ų | 62 | 35.6 Ų | 35.6 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -81.8 | -5.5 | -178.5 | -63.9 | 176.3 | 0 | 0 | 0 | 113.8 | S275 C276 I277 R281 | S275-L279 WeakPolarHBondContact O-CB 3.28Å; S275-L279 VanDerWaalsContact O-CG 3.28Å; S275-L279 WeakPolarHBondContact O-CG 3.46Å; S275-L279 PolarHBondContact O-N 3.08Å; C276-L279 PolarHBondContact O-N 2.91Å; I277-L279 VanDerWaalsContact C-N 3.35Å; I277-L279 PolarHBondContact O-N 2.77Å; L279-R281 HydrophobicContact CB-CG 3.91Å; L279-R281 PolarHBondContact O-N 2.82Å |
| 280 | G | 92 | Very high | 96.1 | Very high | 72 Ų | 72 | 37.4 Ų | 37.4 | 74% | 0.742 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 27.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C276 I277 M278 | C276-G280 PolarHBondContact O-N 2.87Å; I277-G280 PolarHBondContact O-N 2.73Å; M278-G280 VanDerWaalsContact C-N 3.32Å; M278-G280 PolarHBondContact O-N 2.98Å |
| 281 | R | 93.8 | Very high | 95.9 | Very high | 156 Ų | 156 | 44.7 Ų | 44.7 | 59% | 0.589 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -94.5 | 149.9 | 178.1 | -66.2 | -179 | -179 | -177 | 0.6 | 110.4 | C276 L279 P283 | C276-R281 HydrophobicContact CB-CB 4.39Å; C276-R281 WeakPolarHBondContact CB-O 3.47Å; C276-R281 PolarHBondContact O-N 2.91Å; L279-R281 HydrophobicContact CB-CG 3.91Å; L279-R281 PolarHBondContact O-N 2.82Å; R281-P283 WeakPolarHBondContact O-CD 3.31Å |
| 282 | M | 96.1 | Very high | 95.6 | Very high | 97 Ų | 97 | 44.2 Ų | 44.2 | 48% | 0.478 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -83.3 | 122.2 | 174.7 | -170.5 | 158.8 | 56.2 | 0 | 0 | 109.9 | I191 V193 N284 | I191-M282 HydrophobicContact CG2-SD 3.88Å; V193-M282 HydrophobicContact CG2-CE 3.58Å; V193-M282 HydrophobicContact CG2-CG 3.82Å; V193-M282 HydrophobicContact CG2-SD 3.5Å; V193-M282 VanDerWaalsContact CG2-SD 3.5Å; M282-N284 PolarHBondContact O-N 3.17Å; M282-N284 PolarHBondContact O-ND2 3.32Å; M282-N284 VanDerWaalsContact O-ND2 3.08Å |
| 283 | P | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 131.7 | 176.3 | -21.1 | 32.7 | 0 | 0 | 0 | 111.8 | I190 I191 V192 V193 Y272 I273 C276 R281 | I190-P283 HydrophobicContact CD1-CG 3.71Å; I190-P283 HydrophobicContact CG1-CG 4.42Å; I191-P283 WeakPolarHBondContact O-CD 3.48Å; V192-P283 HydrophobicContact CG1-CB 4.19Å; V192-P283 HydrophobicContact CG1-CG 4.12Å; V193-P283 PolarHBondContact N-O 2.85Å; Y272-P283 HydrophobicContact CE1-CB 4.02Å; I273-P283 HydrophobicContact CD1-CB 3.71Å; I273-P283 HydrophobicContact CD1-CG 4.13Å; C276-P283 HydrophobicContact CB-CB 4.49Å; C276-P283 HydrophobicContact CB-CG 3.75Å; R281-P283 WeakPolarHBondContact O-CD 3.31Å |
| 284 | N | 98.4 | Very high | 95.2 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 113.9 | 174.8 | -69.1 | -79.8 | 0 | 0 | 0 | 109 | W195 C255 Y272 M282 L792 | W195-N284 PolarHBondContact NE1-OD1 2.77Å; C255-N284 HydrophobicContact CB-CB 3.97Å; C255-N284 PolarHBondContact N-O 3.5Å; C255-N284 VanDerWaalsContact N-O 3.1Å; Y272-N284 PolarHBondContact OH-N 3.28Å; Y272-N284 PolarHBondContact OH-O 2.79Å; M282-N284 PolarHBondContact O-N 3.17Å; M282-N284 PolarHBondContact O-ND2 3.32Å; M282-N284 VanDerWaalsContact O-ND2 3.08Å; N284-L792 HydrophobicContact CB-CB 4.36Å; N284-L792 HydrophobicContact CB-CD1 4.17Å |
| 285 | L | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 148.2 | 178.7 | -55 | 176.1 | 0 | 0 | 0 | 109.4 | V193 I194 W195 L252 K253 V254 C255 L261 L267 Y272 I273 | V193-L285 PolarHBondContact O-N 3.28Å; I194-L285 CarbonylContact C-O 3.58Å; I194-L285 VanDerWaalsContact CA-O 3.31Å; I194-L285 WeakPolarHBondContact CA-O 3.41Å; I194-L285 HydrophobicContact CD1-CB 3.86Å; I194-L285 HydrophobicContact CD1-CD1 4.17Å; I194-L285 HydrophobicContact CD1-CG 4.49Å; W195-L285 PolarHBondContact N-O 2.85Å; L252-L285 HydrophobicContact CD1-CD1 4.07Å; L252-L285 HydrophobicContact CD2-CB 4.46Å; K253-L285 CarbonylContact O-C 3.56Å; K253-L285 VanDerWaalsContact O-CA 3.28Å; K253-L285 WeakPolarHBondContact O-CA 3.47Å; V254-L285 HydrophobicContact CG2-CD2 4.1Å; C255-L285 VanDerWaalsContact SG-C 3.58Å; L261-L285 HydrophobicContact CD1-CD2 4.5Å; L261-L285 HydrophobicContact CD2-CD1 4.25Å; L267-L285 HydrophobicContact CD1-CD1 4.31Å; Y272-L285 HydrophobicContact CD1-CD2 4.13Å; Y272-L285 HydrophobicContact CE1-CD2 3.88Å; I273-L285 HydrophobicContact CD1-CD1 4.35Å; I273-L285 HydrophobicContact CD1-CD2 4.32Å |
| 286 | M | 97.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 6% | 0.064 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.7 | 175.8 | -178 | 174.2 | 59.1 | 0 | 0 | 110.1 | W195 I197 L252 K253 M288 M789 | W195-M286 CarbonylContact O-C 3.53Å; W195-M286 WeakPolarHBondContact O-CA 3.44Å; I197-M286 HydrophobicContact CD1-SD 3.47Å; I197-M286 WeakPolarHBondContact CD1-SD 3.36Å; I197-M286 HydrophobicContact CG1-SD 3.88Å; L252-M286 WeakPolarHBondContact CA-O 3.41Å; K253-M286 HydrophobicContact CB-CB 4.5Å; K253-M286 HydrophobicContact CB-CE 4.31Å; K253-M286 HydrophobicContact CD-CE 3.57Å; K253-M286 HydrophobicContact CG-CE 4.49Å; K253-M286 PolarHBondContact N-O 2.64Å; K253-M286 PolarHBondContact O-N 2.93Å; M286-M288 HydrophobicContact CE-CE 3.6Å; M286-M789 HydrophobicContact SD-CE 4.14Å; M286-M789 HydrophobicContact SD-CG 4.25Å |
| 287 | L | 95.9 | Very high | 94.4 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 120.7 | 171.7 | -167.5 | 72.4 | 0 | 0 | 0 | 109.2 | I194 W195 V196 I221 Y250 L252 | I194-L287 HydrophobicContact CG2-CB 3.95Å; W195-L287 PolarHBondContact O-N 2.91Å; V196-L287 HydrophobicContact CG2-CB 4.11Å; V196-L287 HydrophobicContact CG2-CD2 4.21Å; I221-L287 HydrophobicContact CB-CD1 4.34Å; I221-L287 HydrophobicContact CD1-CD1 4.45Å; I221-L287 HydrophobicContact CG1-CD1 3.76Å; I221-L287 HydrophobicContact CG2-CD1 4.03Å; Y250-L287 HydrophobicContact CD1-CD2 4.17Å; Y250-L287 HydrophobicContact CD1-CG 3.94Å; Y250-L287 HydrophobicContact CD2-CD2 4.46Å; Y250-L287 HydrophobicContact CG-CD1 4.14Å; Y250-L287 HydrophobicContact CG-CD2 4.14Å; Y250-L287 HydrophobicContact CG-CG 3.98Å; L252-L287 HydrophobicContact CD2-CD1 3.96Å |
| 288 | M | 94.4 | Very high | 93.7 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 15% | 0.148 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.2 | -178 | -178 | -177.2 | -72.6 | 0 | 0 | 110.6 | Y250 I251 K253 Y260 M286 L293 | Y250-M288 CarbonylContact C-O 3.59Å; Y250-M288 VanDerWaalsContact CA-O 3.22Å; Y250-M288 WeakPolarHBondContact CA-O 3.38Å; I251-M288 HydrophobicContact CG1-CB 4.2Å; I251-M288 WeakPolarHBondContact CG1-O 3.38Å; I251-M288 PolarHBondContact N-O 3.13Å; I251-M288 PolarHBondContact O-N 3.29Å; K253-M288 HydrophobicContact CD-CE 3.81Å; Y260-M288 HydrophobicContact CE1-CE 4.44Å; Y260-M288 HydrophobicContact CE1-SD 4.07Å; M286-M288 HydrophobicContact CE-CE 3.6Å; M288-L293 HydrophobicContact SD-CB 4.33Å |
| 289 | S | 94.4 | Very high | 92.9 | Very high | 42 Ų | 42 | 60 Ų | 60 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.4 | 172.1 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | E291 S292 L293 | S289-E291 PolarHBondContact O-N 2.73Å; S289-E291 PolarHBondContact OG-N 3.01Å; S289-S292 WeakPolarHBondContact O-CB 2.85Å; S289-S292 PolarHBondContact O-N 3.07Å; S289-S292 VanDerWaalsContact O-N 3.15Å; S289-L293 PolarHBondContact O-N 2.97Å |
| 290 | K | 94.7 | Very high | 92.1 | Very high | 55 Ų | 55 | 58 Ų | 58 | 24% | 0.239 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.3 | -39.6 | 173.5 | -78.6 | -175.8 | -177.4 | 174.3 | 0 | 112.1 | G248 K249 Y250 I251 S292 L293 Y294 | G248-K290 VanDerWaalsContact O-CD 3.25Å; G248-K290 WeakPolarHBondContact O-CD 3.38Å; G248-K290 WeakPolarHBondContact O-CE 3.25Å; G248-K290 PolarHBondContact O-NZ 3.36Å; K249-K290 PolarHBondContact O-N 3.1Å; Y250-K290 WeakPolarHBondContact O-CE 3.35Å; I251-K290 HydrophobicContact CG1-CG 4.46Å; I251-K290 HydrophobicContact CG2-CD 4.22Å; I251-K290 HydrophobicContact CG2-CG 3.58Å; K290-S292 VanDerWaalsContact C-N 3.3Å; K290-S292 PolarHBondContact O-N 2.88Å; K290-L293 PolarHBondContact O-N 2.87Å; K290-Y294 HydrophobicContact CB-CD2 4.25Å; K290-Y294 HydrophobicContact CB-CE2 3.84Å; K290-Y294 HydrophobicContact CD-CE2 4.33Å; K290-Y294 HydrophobicContact CG-CE2 4.41Å; K290-Y294 WeakPolarHBondContact O-CB 3.47Å; K290-Y294 WeakPolarHBondContact O-CD2 3.12Å; K290-Y294 PolarHBondContact O-N 2.92Å |
| 291 | E | 93.9 | Very high | 91.4 | Very high | 153 Ų | 153 | 61.6 Ų | 61.6 | 72% | 0.715 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.3 | -35.6 | 179.9 | -171.7 | 176.3 | -173.6 | 0 | 0 | 112.2 | S289 L293 Y294 S295 | S289-E291 PolarHBondContact O-N 2.73Å; S289-E291 PolarHBondContact OG-N 3.01Å; E291-L293 VanDerWaalsContact C-N 3.35Å; E291-L293 PolarHBondContact O-N 3.21Å; E291-Y294 PolarHBondContact O-N 3.15Å; E291-S295 VanDerWaalsContact O-CB 3.32Å; E291-S295 WeakPolarHBondContact O-CB 3.46Å; E291-S295 PolarHBondContact O-N 3.02Å; E291-S295 PolarHBondContact O-OG 2.96Å |
| 292 | S | 92.6 | Very high | 91.2 | Very high | 52 Ų | 52 | 56 Ų | 56 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175.1 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | S289 K290 S295 Q296 | S289-S292 WeakPolarHBondContact O-CB 2.85Å; S289-S292 PolarHBondContact O-N 3.07Å; S289-S292 VanDerWaalsContact O-N 3.15Å; K290-S292 VanDerWaalsContact C-N 3.3Å; K290-S292 PolarHBondContact O-N 2.88Å; S292-S295 PolarHBondContact O-OG 3.17Å; S292-S295 VanDerWaalsContact O-OG 3.09Å; S292-Q296 WeakPolarHBondContact O-CG 3.43Å; S292-Q296 PolarHBondContact O-NE2 3.34Å; S292-Q296 VanDerWaalsContact O-NE2 3.11Å |
| 293 | L | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.7 | -47.3 | 174 | -178.3 | 64.3 | 0 | 0 | 0 | 111.5 | A163 Y167 I251 Y260 L262 M288 S289 K290 E291 S295 Q296 | A163-L293 HydrophobicContact CB-CD2 4.41Å; Y167-L293 HydrophobicContact CD2-CD1 4.05Å; Y167-L293 HydrophobicContact CE2-CD1 3.66Å; I251-L293 HydrophobicContact CD1-CB 3.87Å; I251-L293 HydrophobicContact CD1-CD2 3.35Å; I251-L293 HydrophobicContact CD1-CG 4.22Å; Y260-L293 HydrophobicContact CD1-CD2 4.11Å; Y260-L293 HydrophobicContact CE1-CD1 3.86Å; Y260-L293 HydrophobicContact CE1-CD2 4.19Å; Y260-L293 HydrophobicContact CE2-CD1 4.37Å; L262-L293 HydrophobicContact CD2-CD2 4.15Å; M288-L293 HydrophobicContact SD-CB 4.33Å; S289-L293 PolarHBondContact O-N 2.97Å; K290-L293 PolarHBondContact O-N 2.87Å; E291-L293 VanDerWaalsContact C-N 3.35Å; E291-L293 PolarHBondContact O-N 3.21Å; L293-S295 VanDerWaalsContact C-N 3.31Å; L293-S295 PolarHBondContact O-N 3.42Å; L293-Q296 WeakPolarHBondContact O-CB 3.1Å; L293-Q296 PolarHBondContact O-N 3.49Å; L293-Q296 VanDerWaalsContact O-N 3.1Å |
| 294 | Y | 94.8 | Very high | 90.7 | Very high | 47 Ų | 47 | 59.2 Ų | 59.2 | 18% | 0.184 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.8 | -31.1 | -174.1 | -64.2 | -15.8 | 0 | 0 | 0 | 113.4 | P159 A163 K290 E291 Q296 L297 | P159-Y294 HydrophobicContact CB-CD1 4.19Å; P159-Y294 HydrophobicContact CB-CD2 3.93Å; P159-Y294 HydrophobicContact CB-CE2 4.48Å; P159-Y294 HydrophobicContact CB-CG 3.78Å; P159-Y294 HydrophobicContact CG-CD2 3.9Å; P159-Y294 HydrophobicContact CG-CE2 4.25Å; P159-Y294 HydrophobicContact CG-CG 4.28Å; A163-Y294 HydrophobicContact CB-CD1 4.24Å; A163-Y294 HydrophobicContact CB-CE1 3.84Å; K290-Y294 HydrophobicContact CB-CD2 4.25Å; K290-Y294 HydrophobicContact CB-CE2 3.84Å; K290-Y294 HydrophobicContact CD-CE2 4.33Å; K290-Y294 HydrophobicContact CG-CE2 4.41Å; K290-Y294 WeakPolarHBondContact O-CB 3.47Å; K290-Y294 WeakPolarHBondContact O-CD2 3.12Å; K290-Y294 PolarHBondContact O-N 2.92Å; E291-Y294 PolarHBondContact O-N 3.15Å; Y294-Q296 VanDerWaalsContact C-N 3.27Å; Y294-Q296 PolarHBondContact O-N 3.46Å; Y294-L297 HydrophobicContact CD1-CD1 4.09Å; Y294-L297 PolarHBondContact O-N 2.83Å |
| 295 | S | 92.6 | Very high | 90.5 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.8 | -22.8 | 174.3 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | E291 S292 L293 L297 | E291-S295 VanDerWaalsContact O-CB 3.32Å; E291-S295 WeakPolarHBondContact O-CB 3.46Å; E291-S295 PolarHBondContact O-N 3.02Å; E291-S295 PolarHBondContact O-OG 2.96Å; S292-S295 PolarHBondContact O-OG 3.17Å; S292-S295 VanDerWaalsContact O-OG 3.09Å; L293-S295 VanDerWaalsContact C-N 3.31Å; L293-S295 PolarHBondContact O-N 3.42Å; S295-L297 VanDerWaalsContact C-N 3.32Å |
| 296 | Q | 90.6 | Very high | 90.1 | Very high | 109 Ų | 109 | 60.5 Ų | 60.5 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -79.8 | -15.7 | 173.8 | -63.6 | 169.4 | 26.8 | 0 | 0 | 112.5 | S292 L293 Y294 P298 | S292-Q296 WeakPolarHBondContact O-CG 3.43Å; S292-Q296 PolarHBondContact O-NE2 3.34Å; S292-Q296 VanDerWaalsContact O-NE2 3.11Å; L293-Q296 WeakPolarHBondContact O-CB 3.1Å; L293-Q296 PolarHBondContact O-N 3.49Å; L293-Q296 VanDerWaalsContact O-N 3.1Å; Y294-Q296 VanDerWaalsContact C-N 3.27Å; Y294-Q296 PolarHBondContact O-N 3.46Å; Q296-P298 VanDerWaalsContact O-CD 3.27Å; Q296-P298 WeakPolarHBondContact O-CD 3.42Å |
| 297 | L | 90.8 | Very high | 89.8 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -84.4 | 111.9 | -179 | -62.9 | 173.7 | 0 | 0 | 0 | 110 | R162 A163 V166 Y167 Y294 S295 | R162-L297 HydrophobicContact CB-CD1 4.48Å; A163-L297 HydrophobicContact CB-CD1 3.57Å; V166-L297 HydrophobicContact CB-CD2 4.08Å; V166-L297 HydrophobicContact CG1-CD2 4.22Å; V166-L297 HydrophobicContact CG2-CD2 3.93Å; Y167-L297 HydrophobicContact CD2-CD2 4.49Å; Y167-L297 HydrophobicContact CE2-CD2 3.97Å; Y294-L297 HydrophobicContact CD1-CD1 4.09Å; Y294-L297 PolarHBondContact O-N 2.83Å; S295-L297 VanDerWaalsContact C-N 3.32Å |
| 298 | P | 81.6 | Confident | 89.4 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 41% | 0.409 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 153.7 | 178.1 | 25.2 | -29.6 | 0 | 0 | 0 | 111 | R162 Q296 M697 | R162-P298 PolarHBondContact NH1-O 3.36Å; Q296-P298 VanDerWaalsContact O-CD 3.27Å; Q296-P298 WeakPolarHBondContact O-CD 3.42Å; P298-M697 HydrophobicContact CB-CG 3.79Å; P298-M697 HydrophobicContact CG-CB 3.78Å; P298-M697 HydrophobicContact CG-CG 3.36Å |
| 299 | M | 76.4 | Confident | 88.8 | Confident | 154 Ų | 154 | 69.6 Ų | 69.6 | 76% | 0.759 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 131.3 | 165.4 | -77.8 | -170.4 | 166.3 | 0 | 0 | 109 | ||
| 300 | E | 72.8 | Confident | 88 | Confident | 21 Ų | 21 | 74.1 Ų | 74.1 | 10% | 0.098 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 122.3 | 179.9 | -61.3 | -167.4 | 165.9 | 0 | 0 | 110 | R154 | R154-E300 IonicContact CZ-OE2 2.69Å; R154-E300 IonicContact NE-OE2 2.95Å; R154-E300 IonicContact NH1-OE2 3.17Å; R154-E300 IonicContact NH2-OE2 3.93Å; R154-E300 PolarHBondContact NH2-OE2 3.39Å |
| 301 | N | 77.6 | Confident | 86.6 | Confident | 148 Ų | 148 | 79.1 Ų | 79.1 | 79% | 0.791 | 40% | 0.403 | S | S | * | . | trans | -106.8 | 99.3 | 172.2 | -71.2 | -16.7 | 0 | 0 | 0 | 108.8 | T303 | N301-T303 PolarHBondContact O-N 2.9Š| ||
| 302 | F | 90.3 | Very high | 85.1 | Confident | 37 Ų | 37 | 73 Ų | 73 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | trans | -75.9 | 120.5 | 169.9 | 175.8 | -107.7 | 0 | 0 | 0 | 110.1 | L144 C147 K148 V151 M304 R693 A694 | L144-F302 HydrophobicContact CD2-CZ 4.24Å; C147-F302 HydrophobicContact CB-CE2 3.99Å; C147-F302 HydrophobicContact CB-CZ 3.75Å; K148-F302 HydrophobicContact CB-CE1 4.31Å; K148-F302 HydrophobicContact CD-CD1 4.2Å; K148-F302 HydrophobicContact CD-CE1 4.43Å; V151-F302 HydrophobicContact CB-CB 4.29Å; V151-F302 HydrophobicContact CG1-CB 3.84Å; V151-F302 HydrophobicContact CG2-CB 3.73Å; V151-F302 HydrophobicContact CG2-CD1 4.37Å; V151-F302 HydrophobicContact CG2-CD2 4.19Å; V151-F302 HydrophobicContact CG2-CG 3.84Å; F302-M304 HydrophobicContact CE1-CE 3.82Å; F302-M304 HydrophobicContact CE1-CG 4.41Å; F302-M304 HydrophobicContact CE1-SD 3.75Å; F302-M304 HydrophobicContact CZ-SD 4.09Å; F302-R693 WeakPolarHBondContact CD2-O 3.42Å; F302-R693 HydrophobicContact CE2-CB 4.48Å; F302-A694 HydrophobicContact CD2-CB 4.18Å; F302-A694 HydrophobicContact CE2-CB 4.06Å | ||
| 303 | T | 90.9 | Very high | 83.5 | Confident | 92 Ų | 92 | 77 Ų | 77 | 56% | 0.564 | 40% | 0.4 | S | S | * | . | trans | -111.2 | 128.8 | 179.9 | -56 | 0 | 0 | 0 | 0 | 110 | N301 | N301-T303 PolarHBondContact O-N 2.9Š| ||
| 304 | M | 92.6 | Very high | 81.4 | Confident | 75 Ų | 75 | 78.5 Ų | 78.5 | 37% | 0.369 | 41% | 0.413 | S | S | . | . | trans | -65.4 | 127.3 | 175.4 | -75.4 | -65.4 | -173.2 | 0 | 0 | 110.4 | L144 K148 F302 | L144-M304 HydrophobicContact CB-CE 4.47Å; L144-M304 HydrophobicContact CB-SD 4.19Å; L144-M304 HydrophobicContact CD1-SD 4.08Å; K148-M304 HydrophobicContact CB-CE 4.03Å; K148-M304 HydrophobicContact CG-CE 4.29Å; F302-M304 HydrophobicContact CE1-CE 3.82Å; F302-M304 HydrophobicContact CE1-CG 4.41Å; F302-M304 HydrophobicContact CE1-SD 3.75Å; F302-M304 HydrophobicContact CZ-SD 4.09Å | ||
| 305 | P | 93.3 | Very high | 79 | Confident | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.032 | 42% | 0.422 | C | S | . | . | trans | -71.6 | 161 | -178 | 29.8 | -35 | 0 | 0 | 0 | 112 | L144 Y307 A308 | L144-P305 HydrophobicContact CD1-CG 3.83Å; L144-P305 HydrophobicContact CD2-CG 4.12Å; P305-Y307 VanDerWaalsContact C-N 3.26Å; P305-Y307 HydrophobicContact CB-CD1 3.83Å; P305-Y307 HydrophobicContact CB-CE1 3.5Å; P305-Y307 HydrophobicContact CB-CG 4.49Å; P305-Y307 HydrophobicContact CG-CD1 4Å; P305-Y307 HydrophobicContact CG-CD2 4.21Å; P305-Y307 HydrophobicContact CG-CE1 3.43Å; P305-Y307 VanDerWaalsContact CG-CE1 3.43Å; P305-Y307 HydrophobicContact CG-CE2 3.64Å; P305-Y307 HydrophobicContact CG-CG 4.37Å; P305-Y307 WeakPolarHBondContact CG-OH 3.5Å; P305-Y307 PolarHBondContact O-N 3.18Å; P305-A308 VanDerWaalsContact O-CB 3.25Å; P305-A308 WeakPolarHBondContact O-CB 3.26Å; P305-A308 PolarHBondContact O-N 2.9Å | ||
| 306 | S | 90.7 | Very high | 76.6 | Confident | 44 Ų | 44 | 79.1 Ų | 79.1 | 31% | 0.308 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -58.9 | -33.8 | -175.9 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | E110 A308 R309 | E110-S306 WeakPolarHBondContact OE1-CB 3.28Å; E110-S306 PolarHBondContact OE1-N 2.91Å; E110-S306 PolarHBondContact OE1-OG 2.72Å; E110-S306 WeakPolarHBondContact OE2-CB 3.26Å; S306-A308 PolarHBondContact O-N 3.11Å; S306-R309 PolarHBondContact O-N 3.07Å |
| 307 | Y | 90.4 | Very high | 74.4 | Confident | 6 Ų | 6 | 81.3 Ų | 81.3 | 2% | 0.024 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -67.8 | -17.6 | 179.5 | 64.3 | -107.6 | 0 | 0 | 0 | 113.5 | R140 R141 L144 P305 R309 R310 R693 | R140-Y307 HydrophobicContact CB-CD2 4.32Å; R140-Y307 HydrophobicContact CB-CE2 3.92Å; R140-Y307 VanDerWaalsContact O-CE2 3.26Å; R140-Y307 WeakPolarHBondContact O-CE2 3.32Å; R141-Y307 HydrophobicContact CG-CD2 4.32Å; L144-Y307 HydrophobicContact CD1-CE2 3.74Å; L144-Y307 HydrophobicContact CG-CE2 4.39Å; P305-Y307 VanDerWaalsContact C-N 3.26Å; P305-Y307 HydrophobicContact CB-CD1 3.83Å; P305-Y307 HydrophobicContact CB-CE1 3.5Å; P305-Y307 HydrophobicContact CB-CG 4.49Å; P305-Y307 HydrophobicContact CG-CD1 4Å; P305-Y307 HydrophobicContact CG-CD2 4.21Å; P305-Y307 HydrophobicContact CG-CE1 3.43Å; P305-Y307 VanDerWaalsContact CG-CE1 3.43Å; P305-Y307 HydrophobicContact CG-CE2 3.64Å; P305-Y307 HydrophobicContact CG-CG 4.37Å; P305-Y307 WeakPolarHBondContact CG-OH 3.5Å; P305-Y307 PolarHBondContact O-N 3.18Å; Y307-R309 PolarHBondContact O-N 2.98Å; Y307-R310 PolarHBondContact O-N 3.42Å; Y307-R693 WeakPolarHBondContact OH-CD 3.41Å; Y307-R693 PolarHBondContact OH-NE 3.35Å |
| 308 | A | 88.3 | Confident | 72 | Confident | 38 Ų | 38 | 87.8 Ų | 87.8 | 31% | 0.314 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -66 | -24.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L144 P305 S306 | L144-A308 HydrophobicContact CD1-CB 3.74Å; P305-A308 VanDerWaalsContact O-CB 3.25Å; P305-A308 WeakPolarHBondContact O-CB 3.26Å; P305-A308 PolarHBondContact O-N 2.9Å; S306-A308 PolarHBondContact O-N 3.11Å |
| 309 | R | 81.5 | Confident | 69.9 | Low | 213 Ų | 213 | 92.4 Ų | 92.4 | 80% | 0.804 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -99.8 | -6.5 | -178.4 | -59.1 | -178.3 | -173.1 | 174.9 | 2.7 | 113.6 | S306 Y307 | S306-R309 PolarHBondContact O-N 3.07Å; Y307-R309 PolarHBondContact O-N 2.98Å |
| 310 | R | 78.3 | Confident | 68.3 | Low | 136 Ų | 136 | 87 Ų | 87 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -73.6 | 132.4 | 179.5 | -68 | -176.6 | -173.9 | 173.4 | 5.4 | 109.3 | Y307 S312 | Y307-R310 PolarHBondContact O-N 3.42Å; R310-S312 PolarHBondContact O-N 3.39Å |
| 311 | I | 65.6 | Low | 67 | Low | 160 Ų | 160 | 95.8 Ų | 95.8 | 82% | 0.821 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 127.4 | 175.7 | -58.8 | 172.4 | 0 | 0 | 0 | 108.1 | T313 | I311-T313 PolarHBondContact O-N 3.19Š|
| 312 | S | 60.9 | Low | 66 | Low | 25 Ų | 25 | 92.2 Ų | 92.2 | 18% | 0.175 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -62 | 127.6 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | R141 R310 A314 T315 | R141-S312 PolarHBondContact NH2-OG 3.27Å; R141-S312 VanDerWaalsContact NH2-OG 3.16Å; R310-S312 PolarHBondContact O-N 3.39Å; S312-A314 PolarHBondContact O-N 3.07Å; S312-A314 WeakPolarHBondContact OG-CB 3.36Å; S312-A314 PolarHBondContact OG-N 3.31Å; S312-T315 PolarHBondContact O-OG1 3.36Å |
| 313 | T | 59.1 | Low | 65.5 | Low | 137 Ų | 137 | 94.4 Ų | 94.4 | 84% | 0.84 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -9.7 | 170.4 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | I311 T315 | I311-T313 PolarHBondContact O-N 3.19Å; T313-T315 PolarHBondContact O-N 2.85Å |
| 314 | A | 50.4 | Low | 65.3 | Low | 31 Ų | 31 | 93.6 Ų | 93.6 | 26% | 0.256 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -8.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S312 P316 | S312-A314 PolarHBondContact O-N 3.07Å; S312-A314 WeakPolarHBondContact OG-CB 3.36Å; S312-A314 PolarHBondContact OG-N 3.31Å; A314-P316 WeakPolarHBondContact O-CD 3.33Å |
| 315 | T | 45.1 | Very low | 65.3 | Low | 63 Ų | 63 | 94.3 Ų | 94.3 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | trans | -115.8 | 66.7 | -176.5 | 37.3 | 0 | 0 | 0 | 0 | 114.7 | S312 T313 Y317 M318 | S312-T315 PolarHBondContact O-OG1 3.36Å; T313-T315 PolarHBondContact O-N 2.85Å; T315-Y317 VanDerWaalsContact C-N 3.26Å; T315-M318 HydrophobicContact CG2-CB 3.7Å; T315-M318 HydrophobicContact CG2-CG 3.51Å | ||
| 316 | P | 41 | Very low | 65.4 | Low | 91 Ų | 91 | 95 Ų | 95 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -69.8 | -29.8 | 141.7 | -10.1 | 26.6 | 0 | 0 | 0 | 110.8 | A314 M318 N319 | A314-P316 WeakPolarHBondContact O-CD 3.33Å; P316-M318 PolarHBondContact O-N 3.36Å; P316-N319 PolarHBondContact O-N 2.75Å |
| 317 | Y | 44 | Very low | 65.7 | Low | 154 Ų | 154 | 93 Ų | 93 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12 | -171.2 | -71.4 | -77.7 | 0 | 0 | 0 | 116 | T315 T322 | T315-Y317 VanDerWaalsContact C-N 3.26Å; Y317-T322 WeakPolarHBondContact CD1-OG1 3.42Å; Y317-T322 HydrophobicContact CE1-CG2 4.43Å |
| 318 | M | 42.1 | Very low | 65.9 | Low | 150 Ų | 150 | 94.6 Ų | 94.6 | 74% | 0.739 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -9.2 | 175.9 | -78.2 | -81.6 | 163.5 | 0 | 0 | 113.1 | T315 P316 | T315-M318 HydrophobicContact CG2-CB 3.7Å; T315-M318 HydrophobicContact CG2-CG 3.51Å; P316-M318 PolarHBondContact O-N 3.36Å |
| 319 | N | 37.6 | Very low | 66.2 | Low | 161 Ų | 161 | 97.1 Ų | 97.1 | 86% | 0.861 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -115.7 | 14.2 | 179.7 | -81 | -9.5 | 0 | 0 | 0 | 113.6 | P316 | P316-N319 PolarHBondContact O-N 2.75Š|
| 320 | G | 41.3 | Very low | 66.8 | Low | 39 Ų | 39 | 87.9 Ų | 87.9 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -161.3 | 116.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T322 | G320-T322 VanDerWaalsContact C-N 3.31Å; G320-T322 PolarHBondContact O-N 3.33Å |
| 321 | E | 46.1 | Very low | 67.5 | Low | 206 Ų | 206 | 88.9 Ų | 88.9 | 96% | 0.963 | 50% | 0.496 | S | S | * | . | trans | -57.7 | 85.4 | 176.2 | -67.2 | 175.7 | 151.8 | 0 | 0 | 111.3 | A323 | E321-A323 PolarHBondContact O-N 2.9Š| ||
| 322 | T | 56.6 | Low | 68.8 | Low | 73 Ų | 73 | 82.4 Ų | 82.4 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | trans | -77.9 | 114.6 | 156.4 | 50.7 | 0 | 0 | 0 | 0 | 107.1 | Y317 G320 T324 | Y317-T322 WeakPolarHBondContact CD1-OG1 3.42Å; Y317-T322 HydrophobicContact CE1-CG2 4.43Å; G320-T322 VanDerWaalsContact C-N 3.31Å; G320-T322 PolarHBondContact O-N 3.33Å; T322-T324 PolarHBondContact O-N 2.88Å; T322-T324 VanDerWaalsContact O-N 3.11Å | ||
| 323 | A | 79.1 | Confident | 70.4 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 69% | 0.686 | 48% | 0.477 | S | S | * | . | trans | -51 | 118.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | E321 C482 | E321-A323 PolarHBondContact O-N 2.9Å; A323-C482 WeakPolarHBondContact O-CB 3.45Å | ||
| 324 | T | 88.1 | Confident | 72.2 | Confident | 75 Ų | 75 | 78 Ų | 78 | 46% | 0.46 | 44% | 0.44 | S | S | . | . | trans | -94.4 | 153.3 | 172.4 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | T322 P483 K485 | T322-T324 PolarHBondContact O-N 2.88Å; T322-T324 VanDerWaalsContact O-N 3.11Å; T324-P483 WeakPolarHBondContact CA-O 3.42Å; T324-P483 HydrophobicContact CG2-CB 4.39Å; T324-K485 HydrophobicContact CG2-CD 4.49Å | ||
| 325 | K | 92.3 | Very high | 74.5 | Confident | 90 Ų | 90 | 81.3 Ų | 81.3 | 39% | 0.391 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 146.4 | 172.4 | -85.2 | 175.7 | -172.2 | 176 | 0 | 111.2 | I330 S481 C482 P483 V484 K485 | K325-I330 HydrophobicContact CD-CD1 4.43Å; K325-S481 PolarHBondContact NZ-OG 3.25Å; K325-C482 WeakPolarHBondContact CD-SG 3.49Å; K325-C482 WeakPolarHBondContact CG-SG 3.41Å; K325-P483 PolarHBondContact N-O 3.43Å; K325-V484 CarbonylContact O-C 3.5Å; K325-V484 VanDerWaalsContact O-CA 3.31Å; K325-V484 WeakPolarHBondContact O-CA 3.25Å; K325-K485 PolarHBondContact O-N 3.32Å |
| 326 | C | 94.6 | Very high | 77 | Confident | 21 Ų | 21 | 78.3 Ų | 78.3 | 14% | 0.142 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 138.6 | 169.8 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | W328 T329 M491 | C326-W328 PolarHBondContact O-N 3.22Å; C326-W328 VanDerWaalsContact O-N 3.17Å; C326-T329 HydrophobicContact CB-CG2 4.17Å; C326-T329 WeakPolarHBondContact O-CB 3.29Å; C326-T329 PolarHBondContact O-N 3.24Å; C326-T329 PolarHBondContact O-OG1 3.05Å; C326-M491 HydrophobicContact CB-CE 4.03Å |
| 327 | L | 96.8 | Very high | 79.7 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -47.5 | -42.3 | 175 | -175.7 | 76.9 | 0 | 0 | 0 | 112.4 | T329 I330 V393 F430 L436 V484 K485 F486 | L327-T329 PolarHBondContact O-N 3Å; L327-T329 VanDerWaalsContact O-N 3.07Å; L327-I330 WeakPolarHBondContact O-CB 3.32Å; L327-I330 PolarHBondContact O-N 3.24Å; L327-V393 HydrophobicContact CD1-CG1 3.49Å; L327-V393 VanDerWaalsContact CD1-CG1 3.49Å; L327-V393 WeakPolarHBondContact CD1-O 3.41Å; L327-V393 HydrophobicContact CG-CG1 4.3Å; L327-V393 WeakPolarHBondContact CG-O 3.29Å; L327-F430 HydrophobicContact CD1-CE1 4.11Å; L327-F430 HydrophobicContact CD1-CZ 4Å; L327-F430 HydrophobicContact CD2-CE1 4.24Å; L327-F430 HydrophobicContact CD2-CZ 3.68Å; L327-F430 HydrophobicContact CG-CZ 4.45Å; L327-L436 HydrophobicContact CD1-CD1 4.35Å; L327-L436 HydrophobicContact CD1-CD2 4.01Å; L327-V484 HydrophobicContact CB-CG1 4.1Å; L327-V484 HydrophobicContact CD1-CG1 3.95Å; L327-K485 WeakPolarHBondContact CB-O 3.49Å; L327-K485 PolarHBondContact N-O 2.78Å; L327-F486 HydrophobicContact CD2-CD2 4.03Å; L327-F486 HydrophobicContact CD2-CE2 4.32Å |
| 328 | W | 95.8 | Very high | 82.3 | Confident | 41 Ų | 41 | 70 Ų | 70 | 16% | 0.155 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -68 | -6.1 | -177.7 | -72.1 | -5.6 | 0 | 0 | 0 | 115.2 | C326 T394 P487 I492 H495 R577 | C326-W328 PolarHBondContact O-N 3.22Å; C326-W328 VanDerWaalsContact O-N 3.17Å; W328-T394 PolarHBondContact NE1-O 3.46Å; W328-P487 HydrophobicContact CD2-CB 4.21Å; W328-P487 HydrophobicContact CD2-CG 3.88Å; W328-P487 HydrophobicContact CE3-CB 4.14Å; W328-P487 HydrophobicContact CE3-CG 4.23Å; W328-P487 HydrophobicContact CG-CG 4.43Å; W328-P487 HydrophobicContact CH2-CG 4.2Å; W328-P487 HydrophobicContact CZ2-CG 3.82Å; W328-P487 HydrophobicContact CZ3-CB 4.31Å; W328-P487 HydrophobicContact CZ3-CG 4.36Å; W328-I492 HydrophobicContact CH2-CB 4.18Å; W328-I492 HydrophobicContact CH2-CG1 3.8Å; W328-I492 HydrophobicContact CH2-CG2 4.39Å; W328-I492 HydrophobicContact CZ2-CG1 4.3Å; W328-I492 HydrophobicContact CZ3-CG1 4.41Å; W328-H495 HydrophobicContact CE3-CB 4.49Å; W328-H495 HydrophobicContact CH2-CB 3.85Å; W328-H495 AromaticContact CH2-CG 4Å; W328-H495 HydrophobicContact CZ3-CB 3.51Å; W328-H495 AromaticContact CZ3-CG 3.81Å; W328-R577 VanDerWaalsContact CB-NH1 3.31Å; W328-R577 VanDerWaalsContact CG-NH1 3.27Å; W328-R577 HydrophobicContact CZ2-CB 4.11Å |
| 329 | T | 94.6 | Very high | 85 | Confident | 90 Ų | 90 | 63.5 Ų | 63.5 | 55% | 0.552 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -94.3 | -10.2 | 174.6 | 68.3 | 0 | 0 | 0 | 0 | 112.9 | C326 L327 N331 | C326-T329 HydrophobicContact CB-CG2 4.17Å; C326-T329 WeakPolarHBondContact O-CB 3.29Å; C326-T329 PolarHBondContact O-N 3.24Å; C326-T329 PolarHBondContact O-OG1 3.05Å; L327-T329 PolarHBondContact O-N 3Å; L327-T329 VanDerWaalsContact O-N 3.07Å; T329-N331 PolarHBondContact O-N 3.09Å |
| 330 | I | 94.3 | Very high | 87.9 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | trans | -83.3 | 110 | -176.8 | -55.9 | -56.5 | 0 | 0 | 0 | 109.6 | K325 L327 V393 T394 F480 V484 | K325-I330 HydrophobicContact CD-CD1 4.43Å; L327-I330 WeakPolarHBondContact O-CB 3.32Å; L327-I330 PolarHBondContact O-N 3.24Å; I330-V393 HydrophobicContact CB-CB 4.32Å; I330-V393 HydrophobicContact CB-CG1 3.89Å; I330-V393 HydrophobicContact CG1-CG1 4.46Å; I330-V393 HydrophobicContact CG2-CB 3.99Å; I330-V393 HydrophobicContact CG2-CG1 3.8Å; I330-V393 HydrophobicContact CG2-CG2 4.28Å; I330-T394 VanDerWaalsContact O-CG2 3.31Å; I330-T394 WeakPolarHBondContact O-CG2 3.31Å; I330-F480 HydrophobicContact CD1-CD1 4.07Å; I330-F480 HydrophobicContact CD1-CE1 4.43Å; I330-F480 HydrophobicContact CD1-CG 4.49Å; I330-F480 HydrophobicContact CG2-CD1 4.13Å; I330-F480 HydrophobicContact CG2-CE1 3.43Å; I330-F480 VanDerWaalsContact CG2-CE1 3.43Å; I330-F480 HydrophobicContact CG2-CZ 3.92Å; I330-V484 HydrophobicContact CD1-CG2 3.89Å; I330-V484 HydrophobicContact CG1-CG1 3.95Å; I330-V484 HydrophobicContact CG1-CG2 4.07Å | ||
| 331 | N | 92.2 | Very high | 90.6 | Very high | 157 Ų | 157 | 54.9 Ų | 54.9 | 84% | 0.84 | 30% | 0.298 | S | S | * | . | trans | -91.1 | 102.9 | 175.2 | -170.8 | 10.4 | 0 | 0 | 0 | 110.4 | T329 | T329-N331 PolarHBondContact O-N 3.09Š| ||
| 332 | G | 92.7 | Very high | 93 | Very high | 25 Ų | 25 | 49 Ų | 49 | 26% | 0.258 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 172.7 | 161.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V393 | G332-V393 PolarHBondContact O-N 3.23Š|
| 333 | T | 95.4 | Very high | 94.8 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 34% | 0.337 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 149.9 | 171.2 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | R335 M391 Y392 | T333-R335 PolarHBondContact O-N 3.03Å; T333-M391 CarbonylContact C-O 3.57Å; T333-M391 WeakPolarHBondContact CA-O 3.37Å; T333-Y392 HydrophobicContact CG2-CD1 4.24Å; T333-Y392 HydrophobicContact CG2-CE1 4.14Å |
| 334 | L | 97.1 | Very high | 95.5 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 130.1 | 175.3 | 178.3 | 64.2 | 0 | 0 | 0 | 109.5 | I336 I360 Y389 M391 I396 L429 | L334-I336 HydrophobicContact CD1-CG1 4.36Å; L334-I360 HydrophobicContact CD2-CD1 3.7Å; L334-I360 HydrophobicContact CD2-CG1 3.8Å; L334-Y389 HydrophobicContact CB-CD2 4.44Å; L334-Y389 HydrophobicContact CD2-CD2 4.13Å; L334-Y389 HydrophobicContact CD2-CG 4.41Å; L334-Y389 HydrophobicContact CG-CD2 3.93Å; L334-Y389 PolarHBondContact O-N 3.42Å; L334-M391 PolarHBondContact N-O 2.98Å; L334-I396 HydrophobicContact CD1-CD1 4.11Å; L334-I396 HydrophobicContact CD2-CD1 4.27Å; L334-L429 HydrophobicContact CD2-CD1 4.26Å |
| 335 | R | 97.1 | Very high | 95.7 | Very high | 100 Ų | 100 | 49.3 Ų | 49.3 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 141.1 | 173.2 | 61.3 | 177.2 | -174.7 | 166.3 | 8.4 | 111.1 | T333 W386 L387 D478 | T333-R335 PolarHBondContact O-N 3.03Å; R335-W386 HydrophobicContact CB-CE3 3.89Å; R335-W386 HydrophobicContact CB-CZ3 4.28Å; R335-W386 HydrophobicContact CG-CE3 3.75Å; R335-W386 HydrophobicContact CG-CZ3 3.75Å; R335-L387 CarbonylContact C-O 3.57Å; R335-L387 WeakPolarHBondContact CA-O 3.46Å; R335-L387 WeakPolarHBondContact CB-O 3.47Å; R335-D478 HydrophobicContact CG-CB 4.47Å; R335-D478 IonicContact CZ-OD1 2.65Å; R335-D478 IonicContact CZ-OD2 3.59Å; R335-D478 VanDerWaalsContact NE-CG 3.35Å; R335-D478 IonicContact NE-OD1 3.21Å; R335-D478 IonicContact NE-OD2 3.4Å; R335-D478 PolarHBondContact NE-OD2 2.78Å; R335-D478 IonicContact NH2-OD1 3.73Å; R335-D478 PolarHBondContact NH2-OD1 3.46Å; R335-D478 IonicContact NH2-OD2 3.53Å; R335-D478 PolarHBondContact NH2-OD2 3.45Å |
| 336 | I | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 131.9 | -178.4 | -55.2 | 173.9 | 0 | 0 | 0 | 107.7 | L334 I360 L387 Y389 L402 F477 | L334-I336 HydrophobicContact CD1-CG1 4.36Å; I336-I360 HydrophobicContact CD1-CD1 4.37Å; I336-L387 PolarHBondContact N-O 2.84Å; I336-L387 PolarHBondContact O-N 3.2Å; I336-Y389 HydrophobicContact CB-CE2 3.95Å; I336-Y389 HydrophobicContact CD1-CE2 3.83Å; I336-Y389 HydrophobicContact CG1-CE2 3.81Å; I336-L402 HydrophobicContact CD1-CD1 3.92Å; I336-L402 HydrophobicContact CD1-CD2 3.87Å; I336-L402 HydrophobicContact CD1-CG 4.33Å; I336-L402 HydrophobicContact CG2-CD2 4.39Å; I336-F477 HydrophobicContact CD1-CD1 4.17Å; I336-F477 HydrophobicContact CD1-CE1 3.79Å; I336-F477 HydrophobicContact CG1-CD1 4.06Å; I336-F477 HydrophobicContact CG1-CE1 4.18Å; I336-F477 HydrophobicContact CG2-CD1 4.32Å; I336-F477 HydrophobicContact CG2-CE1 4.26Å |
| 337 | R | 98.5 | Very high | 95.4 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.6 | -179.2 | -160.5 | -173.8 | -173.8 | 179 | 2.2 | 111 | L339 N384 E385 W386 L475 E476 | R337-L339 HydrophobicContact CG-CD2 4.17Å; R337-N384 PolarHBondContact NE-O 3.4Å; R337-E385 CarbonylContact C-O 3.54Å; R337-E385 VanDerWaalsContact CA-O 3.26Å; R337-E385 WeakPolarHBondContact CA-O 3.39Å; R337-E385 WeakPolarHBondContact CG-O 3.2Å; R337-W386 HydrophobicContact CB-CD2 3.64Å; R337-W386 HydrophobicContact CB-CE3 3.73Å; R337-W386 HydrophobicContact CB-CG 4.19Å; R337-W386 HydrophobicContact CB-CH2 4.06Å; R337-W386 HydrophobicContact CB-CZ2 3.98Å; R337-W386 HydrophobicContact CB-CZ3 3.94Å; R337-W386 HydrophobicContact CG-CD2 3.92Å; R337-W386 HydrophobicContact CG-CE3 4.5Å; R337-W386 HydrophobicContact CG-CG 4Å; R337-W386 HydrophobicContact CG-CZ2 4.46Å; R337-L475 CarbonylContact O-C 3.55Å; R337-L475 WeakPolarHBondContact O-CA 3.4Å; R337-E476 HydrophobicContact CB-CB 4.02Å; R337-E476 WeakPolarHBondContact CB-O 3.48Å; R337-E476 WeakPolarHBondContact CD-OE2 3.36Å; R337-E476 IonicContact CZ-OE2 3.82Å; R337-E476 PolarHBondContact N-O 3.15Å; R337-E476 IonicContact NE-OE2 2.79Å; R337-E476 IonicContact NH1-OE2 3.89Å; R337-E476 PolarHBondContact NH1-OE2 3.45Å; R337-E476 PolarHBondContact O-N 3.31Å |
| 338 | I | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.1 | 172.6 | -49.3 | -55.2 | 0 | 0 | 0 | 108.2 | V356 T358 T373 W383 N384 E385 L387 L473 L475 | I338-V356 HydrophobicContact CG2-CB 4.12Å; I338-V356 HydrophobicContact CG2-CG1 4.35Å; I338-V356 HydrophobicContact CG2-CG2 3.81Å; I338-T358 HydrophobicContact CD1-CG2 4.16Å; I338-T373 HydrophobicContact CB-CG2 3.77Å; I338-T373 HydrophobicContact CG1-CG2 3.66Å; I338-T373 HydrophobicContact CG2-CG2 3.98Å; I338-W383 HydrophobicContact CG2-CB 4.48Å; I338-W383 HydrophobicContact CG2-CD2 4.29Å; I338-W383 HydrophobicContact CG2-CE3 3.86Å; I338-N384 CarbonylContact O-C 3.55Å; I338-N384 VanDerWaalsContact O-CA 3.24Å; I338-N384 WeakPolarHBondContact O-CA 3.3Å; I338-N384 PolarHBondContact O-N 3.22Å; I338-E385 PolarHBondContact N-O 2.98Å; I338-E385 PolarHBondContact O-N 3.18Å; I338-L387 HydrophobicContact CD1-CD1 4.28Å; I338-L387 HydrophobicContact CG1-CD1 3.68Å; I338-L387 HydrophobicContact CG1-CG 4.04Å; I338-L473 HydrophobicContact CG2-CD1 4.08Å; I338-L475 HydrophobicContact CD1-CD2 3.26Å |
| 339 | L | 98.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -74.3 | -174.7 | -61.2 | 173.5 | 0 | 0 | 0 | 110.8 | R337 W383 N384 E474 E476 | R337-L339 HydrophobicContact CG-CD2 4.17Å; L339-W383 PolarHBondContact O-N 3.02Å; L339-N384 PolarHBondContact O-N 3.07Å; L339-E474 HydrophobicContact CB-CB 4.03Å; L339-E474 WeakPolarHBondContact CB-O 3.36Å; L339-E474 HydrophobicContact CD1-CB 4.12Å; L339-E474 PolarHBondContact N-O 3.18Å; L339-E476 HydrophobicContact CD1-CB 4.2Å; L339-E476 HydrophobicContact CG-CB 4.46Å |
| 340 | C | 98.1 | Very high | 94 | Very high | 13 Ų | 13 | 63.3 Ų | 63.3 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 160.1 | -178 | 57.6 | 0 | 0 | 0 | 0 | 111.8 | P381 R382 E474 | C340-P381 CarbonylContact C-O 3.52Å; C340-P381 WeakPolarHBondContact CA-O 3.29Å; C340-P381 WeakPolarHBondContact CB-O 3.45Å; C340-R382 HydrophobicContact CB-CB 4.25Å; C340-R382 HydrophobicContact CB-CG 3.73Å; C340-E474 PolarHBondContact O-N 3.35Å |
| 341 | A | 97.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 63.6 Ų | 63.6 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 148.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110 | P381 W383 I406 C472 L473 | A341-P381 HydrophobicContact CB-CB 4.04Å; A341-P381 HydrophobicContact CB-CG 4.33Å; A341-P381 PolarHBondContact N-O 3.47Å; A341-P381 WeakPolarHBondContact O-CG 3.46Å; A341-W383 HydrophobicContact CB-CH2 4.38Å; A341-W383 HydrophobicContact CB-CZ3 4.12Å; A341-I406 HydrophobicContact CB-CD1 3.75Å; A341-C472 CarbonylContact C-O 3.59Å; A341-C472 VanDerWaalsContact CA-O 3.25Å; A341-C472 WeakPolarHBondContact CA-O 3.45Å; A341-L473 HydrophobicContact CB-CD1 4.13Å |
| 342 | T | 96.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 60.6 Ų | 60.6 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -65 | -45.9 | 179.1 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | C472 | T342-C472 HydrophobicContact CG2-CB 3.83Å; T342-C472 PolarHBondContact N-O 2.63Å; T342-C472 PolarHBondContact OG1-N 3.44Å |
| 343 | Y | 94.9 | Very high | 93.7 | Very high | 82 Ų | 82 | 63.3 Ų | 63.3 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | trans | -161.3 | 169.6 | 175 | 70.5 | -80 | 0 | 0 | 0 | 110.9 | E469 T470 P471 | Y343-E469 VanDerWaalsContact OH-C 3.27Å; Y343-E469 PolarHBondContact OH-O 3.36Å; Y343-T470 VanDerWaalsContact OH-C 3.24Å; Y343-T470 WeakPolarHBondContact OH-CA 3.14Å; Y343-T470 PolarHBondContact OH-N 3.4Å; Y343-P471 HydrophobicContact CE2-CG 4.13Å; Y343-P471 WeakPolarHBondContact O-CB 3.49Å | ||
| 344 | V | 93.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | trans | -139.9 | 145.4 | 168.3 | -70.7 | 0 | 0 | 0 | 0 | 110 | V346 I354 I406 | V344-V346 HydrophobicContact CG2-CG2 3.89Å; V344-V346 PolarHBondContact O-N 3.23Å; V344-I354 HydrophobicContact CG1-CD1 4.4Å; V344-I354 HydrophobicContact CG2-CD1 3.83Å; V344-I406 HydrophobicContact CG1-CD1 3.97Å; V344-I406 HydrophobicContact CG1-CG2 4.04Å | ||
| 345 | N | 92.3 | Very high | 93.9 | Very high | 134 Ų | 134 | 60.3 Ų | 60.3 | 72% | 0.717 | 29% | 0.287 | S | S | * | . | trans | -95.1 | 88.9 | 178.8 | -69.8 | -23.8 | 0 | 0 | 0 | 110.3 | ||||
| 346 | V | 91.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | trans | -135.3 | 145.7 | -179.2 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | V344 I348 I351 C378 L422 | V344-V346 HydrophobicContact CG2-CG2 3.89Å; V344-V346 PolarHBondContact O-N 3.23Å; V346-I348 PolarHBondContact O-N 3.24Å; V346-I351 HydrophobicContact CB-CD1 3.77Å; V346-I351 HydrophobicContact CG1-CD1 3.67Å; V346-C378 HydrophobicContact CG2-CB 3.63Å; V346-L422 HydrophobicContact CG1-CD1 3.47Å; V346-L422 VanDerWaalsContact CG1-CD1 3.47Å; V346-L422 HydrophobicContact CG1-CD2 3.8Å; V346-L422 HydrophobicContact CG1-CG 4.29Å | ||
| 347 | N | 90.1 | Very high | 94 | Very high | 81 Ų | 81 | 58.1 Ų | 58.1 | 43% | 0.433 | 28% | 0.279 | S | S | . | . | trans | -80 | 108.9 | 169 | -173.7 | -0.6 | 0 | 0 | 0 | 109.5 | R349 D350 I351 | N347-R349 PolarHBondContact O-N 3.42Å; N347-R349 PolarHBondContact OD1-N 3.3Å; N347-D350 HydrophobicContact CB-CB 4.24Å; N347-D350 WeakPolarHBondContact CB-OD2 3.29Å; N347-D350 PolarHBondContact ND2-OD2 3.49Å; N347-D350 PolarHBondContact O-N 2.89Å; N347-I351 PolarHBondContact O-N 3.46Å; N347-I351 VanDerWaalsContact O-N 3.17Å | ||
| 348 | I | 87.1 | Confident | 94 | Very high | 115 Ų | 115 | 54.8 Ų | 54.8 | 59% | 0.59 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.9 | -177.8 | -57.7 | 170 | 0 | 0 | 0 | 112.1 | V346 C378 | V346-I348 PolarHBondContact O-N 3.24Å; I348-C378 HydrophobicContact CG1-CB 4.17Å |
| 349 | R | 84.7 | Confident | 94 | Very high | 231 Ų | 231 | 54.8 Ų | 54.8 | 87% | 0.872 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -25.4 | 174.8 | -62.4 | -176.6 | -179.8 | -176.9 | 0.8 | 113.5 | N347 | N347-R349 PolarHBondContact O-N 3.42Å; N347-R349 PolarHBondContact OD1-N 3.3Å |
| 350 | D | 84.9 | Confident | 94 | Very high | 80 Ų | 80 | 54.1 Ų | 54.1 | 43% | 0.428 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -19.7 | -173 | -63.6 | -33.7 | 0 | 0 | 0 | 113.2 | N347 K410 | N347-D350 HydrophobicContact CB-CB 4.24Å; N347-D350 WeakPolarHBondContact CB-OD2 3.29Å; N347-D350 PolarHBondContact ND2-OD2 3.49Å; N347-D350 PolarHBondContact O-N 2.89Å; D350-K410 VanDerWaalsContact O-CD 3.27Å; D350-K410 WeakPolarHBondContact O-CD 3.49Å; D350-K410 VanDerWaalsContact O-CE 3.29Å; D350-K410 WeakPolarHBondContact O-CE 3.43Å; D350-K410 VanDerWaalsContact O-CG 3.3Å; D350-K410 WeakPolarHBondContact O-CG 3.39Å |
| 351 | I | 89.2 | Confident | 94 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | trans | -124.3 | 126.3 | -174 | -66.7 | 172.3 | 0 | 0 | 0 | 109.5 | V346 N347 I354 | V346-I351 HydrophobicContact CB-CD1 3.77Å; V346-I351 HydrophobicContact CG1-CD1 3.67Å; N347-I351 PolarHBondContact O-N 3.46Å; N347-I351 VanDerWaalsContact O-N 3.17Å; I351-I354 HydrophobicContact CG2-CG2 4.46Å | ||
| 352 | D | 88.5 | Confident | 94 | Very high | 94 Ų | 94 | 54.4 Ų | 54.4 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | trans | -79.5 | -48.6 | -174.7 | -62 | -44 | 0 | 0 | 0 | 112.3 | V409 G411 | D352-V409 PolarHBondContact N-O 3.27Å; D352-V409 VanDerWaalsContact N-O 3.1Å; D352-G411 WeakPolarHBondContact OD2-CA 3.49Å; D352-G411 PolarHBondContact OD2-N 3.44Å | ||
| 353 | K | 95.1 | Very high | 93.8 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 36% | 0.357 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 161.1 | -172.5 | -65.7 | -71.9 | -178.6 | 166.2 | 0 | 110.9 | R375 V376 V409 | K353-R375 HydrophobicContact CB-CB 4.01Å; K353-R375 HydrophobicContact CG-CB 4.25Å; K353-V376 WeakPolarHBondContact CA-O 3.05Å; K353-V376 WeakPolarHBondContact CD-O 3.36Å; K353-V409 PolarHBondContact O-N 2.77Å |
| 354 | I | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 157.5 | 171.2 | 57.2 | 174.5 | 0 | 0 | 0 | 110.6 | V344 I351 R375 V376 P381 W383 I406 C407 L422 | V344-I354 HydrophobicContact CG1-CD1 4.4Å; V344-I354 HydrophobicContact CG2-CD1 3.83Å; I351-I354 HydrophobicContact CG2-CG2 4.46Å; I354-R375 CarbonylContact O-C 3.09Å; I354-R375 WeakPolarHBondContact O-CA 3.42Å; I354-V376 HydrophobicContact CD1-CG2 4.33Å; I354-V376 HydrophobicContact CG1-CG2 3.82Å; I354-V376 PolarHBondContact N-O 3.48Å; I354-V376 PolarHBondContact O-N 3.33Å; I354-P381 HydrophobicContact CD1-CB 3.73Å; I354-W383 HydrophobicContact CG1-CZ2 4.46Å; I354-I406 HydrophobicContact CB-CG2 4.47Å; I354-C407 CarbonylContact C-O 3.53Å; I354-C407 WeakPolarHBondContact CA-O 3.09Å; I354-C407 WeakPolarHBondContact CB-O 3.47Å; I354-L422 HydrophobicContact CG2-CD1 3.97Å |
| 355 | Y | 98.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 164.1 | 174.3 | 65.6 | -79.1 | 0 | 0 | 0 | 109.9 | R357 N372 R375 C407 V409 H419 | Y355-R357 HydrophobicContact CD2-CB 4.48Å; Y355-R357 HydrophobicContact CE2-CB 3.96Å; Y355-N372 HydrophobicContact CD2-CB 3.92Å; Y355-N372 HydrophobicContact CE2-CB 4.16Å; Y355-R375 HydrophobicContact CD1-CG 4.47Å; Y355-C407 HydrophobicContact CD1-CB 4.08Å; Y355-C407 HydrophobicContact CD2-CB 4.5Å; Y355-C407 HydrophobicContact CE1-CB 3.5Å; Y355-C407 VanDerWaalsContact CE1-CB 3.5Å; Y355-C407 HydrophobicContact CE2-CB 4Å; Y355-C407 VanDerWaalsContact CZ-CB 3.45Å; Y355-C407 PolarHBondContact N-O 2.85Å; Y355-C407 PolarHBondContact O-N 3.48Å; Y355-V409 HydrophobicContact CD1-CG2 3.76Å; Y355-V409 HydrophobicContact CE1-CG2 3.46Å; Y355-V409 VanDerWaalsContact CE1-CG2 3.46Å; Y355-H419 AromaticContact CE1-ND1 3.74Å; Y355-H419 AromaticContact CZ-ND1 3.77Å; Y355-H419 PolarHBondContact OH-ND1 2.88Å |
| 356 | V | 98.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.9 | 170.6 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | I338 T358 N372 T373 W383 L404 S405 I406 L473 | I338-V356 HydrophobicContact CG2-CB 4.12Å; I338-V356 HydrophobicContact CG2-CG1 4.35Å; I338-V356 HydrophobicContact CG2-CG2 3.81Å; V356-T358 HydrophobicContact CG1-CG2 3.93Å; V356-N372 WeakPolarHBondContact O-CA 3.34Å; V356-T373 HydrophobicContact CB-CG2 3.84Å; V356-T373 PolarHBondContact N-OG1 2.99Å; V356-T373 PolarHBondContact O-N 3.21Å; V356-T373 PolarHBondContact O-OG1 3.35Å; V356-W383 HydrophobicContact CG2-CD2 4.1Å; V356-W383 HydrophobicContact CG2-CE3 3.93Å; V356-W383 HydrophobicContact CG2-CH2 3.49Å; V356-W383 VanDerWaalsContact CG2-CH2 3.49Å; V356-W383 HydrophobicContact CG2-CZ2 3.67Å; V356-W383 HydrophobicContact CG2-CZ3 3.62Å; V356-L404 HydrophobicContact CG1-CB 4.49Å; V356-S405 CarbonylContact C-O 3.52Å; V356-S405 VanDerWaalsContact CA-O 3.31Å; V356-S405 WeakPolarHBondContact CA-O 3.4Å; V356-I406 HydrophobicContact CG2-CG1 4.38Å; V356-L473 HydrophobicContact CG1-CD2 4.08Å; V356-L473 HydrophobicContact CG2-CD1 4.09Å |
| 357 | R | 98.7 | Very high | 93.8 | Very high | 55 Ų | 55 | 47 Ų | 47 | 21% | 0.208 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 138 | 169.6 | -179.1 | 164.9 | -172.1 | 83.6 | -9.3 | 108.9 | Y355 N370 N372 L404 S405 L456 | Y355-R357 HydrophobicContact CD2-CB 4.48Å; Y355-R357 HydrophobicContact CE2-CB 3.96Å; R357-N370 PolarHBondContact NE-OD1 2.86Å; R357-N370 VanDerWaalsContact NE-OD1 3.1Å; R357-N370 VanDerWaalsContact NH2-CB 3.33Å; R357-N370 PolarHBondContact NH2-OD1 3.41Å; R357-N372 VanDerWaalsContact CG-OD1 3.28Å; R357-N372 WeakPolarHBondContact CG-OD1 3.22Å; R357-N372 PolarHBondContact NH1-ND2 2.85Å; R357-N372 PolarHBondContact NH1-OD1 3.42Å; R357-L404 CarbonylContact O-C 3.55Å; R357-L404 WeakPolarHBondContact O-CA 3.32Å; R357-L404 WeakPolarHBondContact O-CB 3.41Å; R357-S405 PolarHBondContact N-O 3.36Å; R357-S405 PolarHBondContact O-N 3.28Å; R357-L456 HydrophobicContact CB-CD2 4.32Å; R357-L456 HydrophobicContact CG-CD1 4.16Å; R357-L456 HydrophobicContact CG-CD2 4.05Å; R357-L456 HydrophobicContact CG-CG 4.02Å |
| 358 | T | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153.4 | 178.8 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | I338 V356 N370 V371 L387 Y389 C403 L404 | I338-T358 HydrophobicContact CD1-CG2 4.16Å; V356-T358 HydrophobicContact CG1-CG2 3.93Å; T358-N370 CarbonylContact O-C 3.24Å; T358-N370 VanDerWaalsContact O-CA 3.27Å; T358-N370 WeakPolarHBondContact O-CA 3.42Å; T358-N370 WeakPolarHBondContact O-CB 3.25Å; T358-V371 PolarHBondContact N-O 3.36Å; T358-V371 PolarHBondContact O-N 3.03Å; T358-V371 PolarHBondContact OG1-O 3.03Å; T358-L387 HydrophobicContact CG2-CD1 3.75Å; T358-L387 WeakPolarHBondContact OG1-CD1 3.31Å; T358-Y389 VanDerWaalsContact CB-OH 3.26Å; T358-Y389 WeakPolarHBondContact CB-OH 3.4Å; T358-Y389 WeakPolarHBondContact OG1-CE1 3.43Å; T358-Y389 PolarHBondContact OG1-OH 3.22Å; T358-C403 CarbonylContact C-O 3.6Å; T358-C403 WeakPolarHBondContact CA-O 3.42Å; T358-L404 HydrophobicContact CG2-CB 3.95Å |
| 359 | G | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 156.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | C403 | G359-C403 PolarHBondContact N-O 3.21Å; G359-C403 PolarHBondContact O-N 2.88Å |
| 360 | I | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.7 | 176.4 | -49.4 | -57.5 | 0 | 0 | 0 | 108.3 | L334 I336 L367 Y389 M391 R401 L402 L429 | L334-I360 HydrophobicContact CD2-CD1 3.7Å; L334-I360 HydrophobicContact CD2-CG1 3.8Å; I336-I360 HydrophobicContact CD1-CD1 4.37Å; I360-L367 HydrophobicContact CG2-CD1 4.06Å; I360-L367 PolarHBondContact O-N 3.18Å; I360-Y389 HydrophobicContact CD1-CD1 4.22Å; I360-Y389 HydrophobicContact CD1-CE1 4.14Å; I360-Y389 HydrophobicContact CD1-CG 4.44Å; I360-Y389 HydrophobicContact CG1-CD1 3.8Å; I360-Y389 HydrophobicContact CG1-CE1 4.17Å; I360-Y389 HydrophobicContact CG1-CG 4.07Å; I360-M391 HydrophobicContact CG2-SD 4.31Å; I360-R401 WeakPolarHBondContact CA-O 3.39Å; I360-L402 HydrophobicContact CD1-CB 4.47Å; I360-L402 HydrophobicContact CD1-CD1 3.87Å; I360-L429 HydrophobicContact CD1-CD1 4.49Å; I360-L429 HydrophobicContact CG2-CD1 4.1Å |
| 361 | Y | 98.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 32.8 Ų | 32.8 | 8% | 0.082 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.7 | -171.6 | -74.8 | -98.7 | 0 | 0 | 0 | 112.2 | E365 Q366 N370 A400 R401 C403 L456 P458 | Y361-E365 CarbonylContact C-O 3.55Å; Y361-E365 VanDerWaalsContact CA-O 3.23Å; Y361-E365 WeakPolarHBondContact CA-O 3.28Å; Y361-E365 WeakPolarHBondContact CD1-O 3.27Å; Y361-Q366 HydrophobicContact CD1-CB 4.26Å; Y361-Q366 HydrophobicContact CE1-CB 3.81Å; Y361-N370 PolarHBondContact OH-ND2 3.42Å; Y361-A400 WeakPolarHBondContact O-CA 3.5Å; Y361-R401 PolarHBondContact N-O 2.8Å; Y361-R401 PolarHBondContact O-N 3.47Å; Y361-C403 HydrophobicContact CD2-CB 3.67Å; Y361-C403 HydrophobicContact CE2-CB 4.01Å; Y361-L456 HydrophobicContact CE2-CD1 3.8Å; Y361-P458 HydrophobicContact CD1-CB 3.7Å; Y361-P458 HydrophobicContact CD1-CG 4.15Å; Y361-P458 HydrophobicContact CE1-CB 4.04Å; Y361-P458 HydrophobicContact CE1-CG 4.02Å; Y361-P458 HydrophobicContact CG-CB 3.97Å |
| 362 | H | 97.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 101.3 | 164.5 | -177.6 | -96.8 | 0 | 0 | 0 | 107.7 | G364 E365 L367 W574 P607 | H362-G364 PolarHBondContact O-N 3.23Å; H362-E365 PolarHBondContact N-O 2.85Å; H362-E365 WeakPolarHBondContact O-CB 3.24Å; H362-E365 PolarHBondContact O-N 3.36Å; H362-L367 HydrophobicContact CB-CD1 4.12Å; H362-L367 HydrophobicContact CB-CD2 3.66Å; H362-L367 HydrophobicContact CB-CG 4.01Å; H362-W574 HydrophobicContact CB-CB 4.38Å; H362-W574 AromaticContact CE1-CD2 3.27Å; H362-W574 AromaticContact CE1-CE2 3.47Å; H362-W574 VanDerWaalsContact CE1-CE2 3.47Å; H362-W574 AromaticContact CE1-CE3 3.53Å; H362-W574 AromaticContact CE1-CG 3.7Å; H362-W574 AromaticContact CE1-CZ2 3.93Å; H362-W574 AromaticContact CE1-CZ3 3.95Å; H362-W574 AromaticContact CE1-NE1 3.92Å; H362-W574 AromaticContact ND1-CD1 3.75Å; H362-W574 AromaticContact ND1-CD2 3.65Å; H362-W574 AromaticContact ND1-CE2 3.99Å; H362-W574 AromaticContact ND1-CG 3.54Å; H362-W574 AromaticContact NE2-CD2 3.74Å; H362-W574 AromaticContact NE2-CE3 3.5Å; H362-W574 AromaticContact NE2-CZ3 3.84Å; H362-P607 VanDerWaalsContact CE1-CG 3.47Å; H362-P607 WeakPolarHBondContact CE1-CG 3.32Å; H362-P607 WeakPolarHBondContact NE2-CG 3.2Å |
| 363 | G | 92.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -127.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | R401 C604 | G363-R401 PolarHBondContact O-NH2 3.48Å; G363-C604 WeakPolarHBondContact CA-O 3.38Å |
| 364 | G | 87.6 | Confident | 96.9 | Very high | 34 Ų | 34 | 33.3 Ų | 33.3 | 35% | 0.351 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -12.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H362 | H362-G364 PolarHBondContact O-N 3.23Š|
| 365 | E | 91.8 | Very high | 96.8 | Very high | 76 Ų | 76 | 38.7 Ų | 38.7 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 133.6 | -175 | -171.5 | -178.4 | -172.9 | 0 | 0 | 111.6 | Y361 H362 | Y361-E365 CarbonylContact C-O 3.55Å; Y361-E365 VanDerWaalsContact CA-O 3.23Å; Y361-E365 WeakPolarHBondContact CA-O 3.28Å; Y361-E365 WeakPolarHBondContact CD1-O 3.27Å; H362-E365 PolarHBondContact N-O 2.85Å; H362-E365 WeakPolarHBondContact O-CB 3.24Å; H362-E365 PolarHBondContact O-N 3.36Å |
| 366 | Q | 95.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 39.2 Ų | 39.2 | 36% | 0.355 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.9 | 176 | 177.8 | -177.3 | -22.2 | 0 | 0 | 110 | Y361 C368 N370 | Y361-Q366 HydrophobicContact CD1-CB 4.26Å; Y361-Q366 HydrophobicContact CE1-CB 3.81Å; Q366-C368 WeakPolarHBondContact CG-O 3.46Å; Q366-C368 PolarHBondContact NE2-O 2.85Å; Q366-N370 PolarHBondContact NE2-ND2 2.98Å; Q366-N370 VanDerWaalsContact NE2-ND2 3.11Å; Q366-N370 PolarHBondContact OE1-ND2 3.2Å |
| 367 | L | 97.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -84.8 | -24.7 | -174.9 | -63.1 | -177.2 | 0 | 0 | 0 | 114.6 | I360 H362 M391 P397 A400 W574 N575 | I360-L367 HydrophobicContact CG2-CD1 4.06Å; I360-L367 PolarHBondContact O-N 3.18Å; H362-L367 HydrophobicContact CB-CD1 4.12Å; H362-L367 HydrophobicContact CB-CD2 3.66Å; H362-L367 HydrophobicContact CB-CG 4.01Å; L367-M391 HydrophobicContact CB-CE 3.42Å; L367-M391 VanDerWaalsContact CB-CE 3.42Å; L367-M391 HydrophobicContact CB-SD 4.49Å; L367-M391 HydrophobicContact CD1-CE 3.94Å; L367-M391 HydrophobicContact CD1-SD 4.42Å; L367-M391 HydrophobicContact CG-CE 4.28Å; L367-P397 HydrophobicContact CD1-CG 3.63Å; L367-A400 HydrophobicContact CD1-CB 4.34Å; L367-W574 HydrophobicContact CD2-CB 3.76Å; L367-N575 HydrophobicContact CB-CB 4.36Å; L367-N575 HydrophobicContact CD2-CB 4.39Å; L367-N575 PolarHBondContact O-ND2 3.47Å |
| 368 | C | 96.4 | Very high | 96.3 | Very high | 14 Ų | 14 | 39.9 Ų | 39.9 | 10% | 0.095 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -154.9 | 166.6 | 177.2 | 67.5 | 0 | 0 | 0 | 0 | 109.8 | Q366 D390 M391 | Q366-C368 WeakPolarHBondContact CG-O 3.46Å; Q366-C368 PolarHBondContact NE2-O 2.85Å; C368-D390 WeakPolarHBondContact CB-O 3.21Å; C368-M391 HydrophobicContact CB-CB 4.4Å |
| 369 | D | 97.5 | Very high | 96 | Very high | 131 Ų | 131 | 44.4 Ų | 44.4 | 70% | 0.701 | 24% | 0.241 | S | C | * | . | trans | -53.2 | 140.4 | -179.9 | -80.7 | -21.6 | 0 | 0 | 0 | 113.8 | ||||
| 370 | N | 97.8 | Very high | 95.9 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | trans | -66.6 | 135.7 | 175.4 | -79.9 | -164.6 | 0 | 0 | 0 | 109.8 | R357 T358 Y361 Q366 L456 | R357-N370 PolarHBondContact NE-OD1 2.86Å; R357-N370 VanDerWaalsContact NE-OD1 3.1Å; R357-N370 VanDerWaalsContact NH2-CB 3.33Å; R357-N370 PolarHBondContact NH2-OD1 3.41Å; T358-N370 CarbonylContact O-C 3.24Å; T358-N370 VanDerWaalsContact O-CA 3.27Å; T358-N370 WeakPolarHBondContact O-CA 3.42Å; T358-N370 WeakPolarHBondContact O-CB 3.25Å; Y361-N370 PolarHBondContact OH-ND2 3.42Å; Q366-N370 PolarHBondContact NE2-ND2 2.98Å; Q366-N370 VanDerWaalsContact NE2-ND2 3.11Å; Q366-N370 PolarHBondContact OE1-ND2 3.2Å; N370-L456 WeakPolarHBondContact OD1-CD1 3.21Å | ||
| 371 | V | 98.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 49 Ų | 49 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.3 | -178.6 | -168 | 0 | 0 | 0 | 0 | 109.5 | T358 L387 Y389 | T358-V371 PolarHBondContact N-O 3.36Å; T358-V371 PolarHBondContact O-N 3.03Å; T358-V371 PolarHBondContact OG1-O 3.03Å; V371-L387 HydrophobicContact CB-CB 4.47Å; V371-L387 HydrophobicContact CG1-CB 3.97Å; V371-L387 HydrophobicContact CG1-CD1 4.34Å; V371-L387 HydrophobicContact CG1-CD2 4.01Å; V371-L387 HydrophobicContact CG1-CG 4.32Å; V371-Y389 HydrophobicContact CB-CD1 4.32Å; V371-Y389 HydrophobicContact CB-CE1 3.98Å; V371-Y389 HydrophobicContact CG2-CD1 3.61Å; V371-Y389 HydrophobicContact CG2-CE1 3.8Å; V371-Y389 HydrophobicContact CG2-CG 4.39Å |
| 372 | N | 98.4 | Very high | 95.8 | Very high | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 146.6 | 177.5 | -63.6 | -26.2 | 0 | 0 | 0 | 109.9 | Y355 V356 R357 | Y355-N372 HydrophobicContact CD2-CB 3.92Å; Y355-N372 HydrophobicContact CE2-CB 4.16Å; V356-N372 WeakPolarHBondContact O-CA 3.34Å; R357-N372 VanDerWaalsContact CG-OD1 3.28Å; R357-N372 WeakPolarHBondContact CG-OD1 3.22Å; R357-N372 PolarHBondContact NH1-ND2 2.85Å; R357-N372 PolarHBondContact NH1-OD1 3.42Å |
| 373 | T | 98.7 | Very high | 95.8 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 171.6 | 163.3 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | I338 V356 W383 E385 L387 | I338-T373 HydrophobicContact CB-CG2 3.77Å; I338-T373 HydrophobicContact CG1-CG2 3.66Å; I338-T373 HydrophobicContact CG2-CG2 3.98Å; V356-T373 HydrophobicContact CB-CG2 3.84Å; V356-T373 PolarHBondContact N-OG1 2.99Å; V356-T373 PolarHBondContact O-N 3.21Å; V356-T373 PolarHBondContact O-OG1 3.35Å; T373-W383 VanDerWaalsContact CB-CD1 3.42Å; T373-W383 HydrophobicContact CG2-CB 4.38Å; T373-W383 HydrophobicContact CG2-CG 4.12Å; T373-W383 PolarHBondContact OG1-NE1 2.95Å; T373-E385 WeakPolarHBondContact CA-OE2 3.28Å; T373-E385 VanDerWaalsContact CB-OE2 3.29Å; T373-E385 WeakPolarHBondContact CB-OE2 3.18Å; T373-L387 HydrophobicContact CG2-CD1 4.03Å; T373-L387 HydrophobicContact CG2-CD2 4.09Å; T373-L387 HydrophobicContact CG2-CG 4.41Å |
| 374 | Q | 97.8 | Very high | 96.1 | Very high | 136 Ų | 136 | 60 Ų | 60 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 152.3 | 165.8 | -64.9 | -179.9 | 25.5 | 0 | 0 | 112.1 | W383 E385 | Q374-W383 PolarHBondContact O-NE1 2.95Å; Q374-E385 PolarHBondContact N-OE2 3.26Å |
| 375 | R | 97.3 | Very high | 96.6 | Very high | 113 Ų | 113 | 60.5 Ų | 60.5 | 43% | 0.426 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 120.9 | 176.1 | -65.6 | -179.7 | -175.4 | -173.7 | -2.4 | 110.2 | K353 I354 Y355 E417 | K353-R375 HydrophobicContact CB-CB 4.01Å; K353-R375 HydrophobicContact CG-CB 4.25Å; I354-R375 CarbonylContact O-C 3.09Å; I354-R375 WeakPolarHBondContact O-CA 3.42Å; Y355-R375 HydrophobicContact CD1-CG 4.47Å; R375-E417 IonicContact CZ-OE1 2.83Å; R375-E417 IonicContact CZ-OE2 2.68Å; R375-E417 VanDerWaalsContact CZ-OE2 3.29Å; R375-E417 VanDerWaalsContact NH1-CD 3.28Å; R375-E417 IonicContact NH1-OE1 3.55Å; R375-E417 PolarHBondContact NH1-OE1 2.89Å; R375-E417 IonicContact NH1-OE2 3.61Å; R375-E417 PolarHBondContact NH1-OE2 2.95Å; R375-E417 IonicContact NH2-OE1 2.78Å; R375-E417 IonicContact NH2-OE2 3.41Å; R375-E417 PolarHBondContact NH2-OE2 2.94Å |
| 376 | V | 97.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 60.9 Ų | 60.9 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -116.6 | 157.7 | -177.9 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | K353 I354 R382 W383 | K353-V376 WeakPolarHBondContact CA-O 3.05Å; K353-V376 WeakPolarHBondContact CD-O 3.36Å; I354-V376 HydrophobicContact CD1-CG2 4.33Å; I354-V376 HydrophobicContact CG1-CG2 3.82Å; I354-V376 PolarHBondContact N-O 3.48Å; I354-V376 PolarHBondContact O-N 3.33Å; V376-R382 WeakPolarHBondContact CG1-O 3.39Å; V376-W383 HydrophobicContact CG1-CG 4.37Å; V376-W383 HydrophobicContact CG2-CD2 4.46Å; V376-W383 HydrophobicContact CG2-CZ2 3.65Å |
| 377 | P | 94.8 | Very high | 97 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 38% | 0.377 | 29% | 0.288 | S | S | . | . | trans | -61.7 | 143.6 | 174.2 | -18.9 | 31.8 | 0 | 0 | 0 | 112.3 | S379 N380 | P377-S379 PolarHBondContact O-N 3.38Å; P377-S379 VanDerWaalsContact O-N 3.14Å; P377-N380 CarbonylContact O-C 3.5Å; P377-N380 PolarHBondContact O-N 2.88Å; P377-N380 VanDerWaalsContact O-N 3.1Å | ||
| 378 | C | 92.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31 | 178.4 | -59 | 0 | 0 | 0 | 0 | 114 | V346 I348 N380 | V346-C378 HydrophobicContact CG2-CB 3.63Å; I348-C378 HydrophobicContact CG1-CB 4.17Å; C378-N380 VanDerWaalsContact C-N 3.34Å |
| 379 | S | 92.6 | Very high | 97.1 | Very high | 95 Ų | 95 | 60.4 Ų | 60.4 | 66% | 0.664 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -13.7 | -178.5 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | P377 | P377-S379 PolarHBondContact O-N 3.38Å; P377-S379 VanDerWaalsContact O-N 3.14Å |
| 380 | N | 95.1 | Very high | 97.1 | Very high | 85 Ų | 85 | 61 Ų | 61 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | trans | -142.7 | 75.2 | -178.8 | -172.8 | 29.6 | 0 | 0 | 0 | 111.1 | P377 C378 R382 | P377-N380 CarbonylContact O-C 3.5Å; P377-N380 PolarHBondContact O-N 2.88Å; P377-N380 VanDerWaalsContact O-N 3.1Å; C378-N380 VanDerWaalsContact C-N 3.34Å; N380-R382 VanDerWaalsContact C-N 3.26Å; N380-R382 PolarHBondContact O-N 3.45Å; N380-R382 WeakPolarHBondContact OD1-CD 3.34Å; N380-R382 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 381 | P | 96.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.071 | 30% | 0.304 | C | S | . | . | trans | -70.9 | 71 | 179.9 | 29.7 | -36.6 | 0 | 0 | 0 | 112.9 | C340 A341 I354 W383 | C340-P381 CarbonylContact C-O 3.52Å; C340-P381 WeakPolarHBondContact CA-O 3.29Å; C340-P381 WeakPolarHBondContact CB-O 3.45Å; A341-P381 HydrophobicContact CB-CB 4.04Å; A341-P381 HydrophobicContact CB-CG 4.33Å; A341-P381 PolarHBondContact N-O 3.47Å; A341-P381 WeakPolarHBondContact O-CG 3.46Å; I354-P381 HydrophobicContact CD1-CB 3.73Å; P381-W383 HydrophobicContact CB-CH2 3.85Å; P381-W383 HydrophobicContact CB-CZ3 4.21Å; P381-W383 WeakPolarHBondContact O-CZ3 3.37Å | ||
| 382 | R | 98.1 | Very high | 96.9 | Very high | 148 Ų | 148 | 64.6 Ų | 64.6 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.7 | 177.8 | -63 | -173.6 | 178.5 | -100.4 | -0.1 | 110.9 | C340 V376 N380 | C340-R382 HydrophobicContact CB-CB 4.25Å; C340-R382 HydrophobicContact CB-CG 3.73Å; V376-R382 WeakPolarHBondContact CG1-O 3.39Å; N380-R382 VanDerWaalsContact C-N 3.26Å; N380-R382 PolarHBondContact O-N 3.45Å; N380-R382 WeakPolarHBondContact OD1-CD 3.34Å; N380-R382 WeakPolarHBondContact OD1-CG 3.4Å |
| 383 | W | 98.4 | Very high | 96.8 | Very high | 25 Ų | 25 | 61.7 Ų | 61.7 | 10% | 0.095 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -47.2 | -176.9 | -61.8 | -85.3 | 0 | 0 | 0 | 112.5 | I338 L339 A341 I354 V356 T373 Q374 V376 P381 E385 L473 | I338-W383 HydrophobicContact CG2-CB 4.48Å; I338-W383 HydrophobicContact CG2-CD2 4.29Å; I338-W383 HydrophobicContact CG2-CE3 3.86Å; L339-W383 PolarHBondContact O-N 3.02Å; A341-W383 HydrophobicContact CB-CH2 4.38Å; A341-W383 HydrophobicContact CB-CZ3 4.12Å; I354-W383 HydrophobicContact CG1-CZ2 4.46Å; V356-W383 HydrophobicContact CG2-CD2 4.1Å; V356-W383 HydrophobicContact CG2-CE3 3.93Å; V356-W383 HydrophobicContact CG2-CH2 3.49Å; V356-W383 VanDerWaalsContact CG2-CH2 3.49Å; V356-W383 HydrophobicContact CG2-CZ2 3.67Å; V356-W383 HydrophobicContact CG2-CZ3 3.62Å; T373-W383 VanDerWaalsContact CB-CD1 3.42Å; T373-W383 HydrophobicContact CG2-CB 4.38Å; T373-W383 HydrophobicContact CG2-CG 4.12Å; T373-W383 PolarHBondContact OG1-NE1 2.95Å; Q374-W383 PolarHBondContact O-NE1 2.95Å; V376-W383 HydrophobicContact CG1-CG 4.37Å; V376-W383 HydrophobicContact CG2-CD2 4.46Å; V376-W383 HydrophobicContact CG2-CZ2 3.65Å; P381-W383 HydrophobicContact CB-CH2 3.85Å; P381-W383 HydrophobicContact CB-CZ3 4.21Å; P381-W383 WeakPolarHBondContact O-CZ3 3.37Å; W383-E385 HydrophobicContact CB-CB 4.21Å; W383-E385 PolarHBondContact O-N 2.85Å; W383-L473 HydrophobicContact CZ3-CD1 4.03Å |
| 384 | N | 97.6 | Very high | 96.7 | Very high | 85 Ų | 85 | 62.1 Ų | 62.1 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50 | 34.1 | -174.1 | -66.5 | -43.5 | 0 | 0 | 0 | 114.1 | R337 I338 L339 | R337-N384 PolarHBondContact NE-O 3.4Å; I338-N384 CarbonylContact O-C 3.55Å; I338-N384 VanDerWaalsContact O-CA 3.24Å; I338-N384 WeakPolarHBondContact O-CA 3.3Å; I338-N384 PolarHBondContact O-N 3.22Å; L339-N384 PolarHBondContact O-N 3.07Å |
| 385 | E | 98.3 | Very high | 96.7 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.7 | -166.9 | -176.2 | 174.8 | -170.4 | 0 | 0 | 111 | R337 I338 T373 Q374 W383 L387 | R337-E385 CarbonylContact C-O 3.54Å; R337-E385 VanDerWaalsContact CA-O 3.26Å; R337-E385 WeakPolarHBondContact CA-O 3.39Å; R337-E385 WeakPolarHBondContact CG-O 3.2Å; I338-E385 PolarHBondContact N-O 2.98Å; I338-E385 PolarHBondContact O-N 3.18Å; T373-E385 WeakPolarHBondContact CA-OE2 3.28Å; T373-E385 VanDerWaalsContact CB-OE2 3.29Å; T373-E385 WeakPolarHBondContact CB-OE2 3.18Å; Q374-E385 PolarHBondContact N-OE2 3.26Å; W383-E385 HydrophobicContact CB-CB 4.21Å; W383-E385 PolarHBondContact O-N 2.85Å; E385-L387 HydrophobicContact CG-CD2 4.01Å |
| 386 | W | 98.3 | Very high | 96.7 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 118.8 | 169.1 | -79.9 | 99.9 | 0 | 0 | 0 | 109.3 | R335 R337 E476 | R335-W386 HydrophobicContact CB-CE3 3.89Å; R335-W386 HydrophobicContact CB-CZ3 4.28Å; R335-W386 HydrophobicContact CG-CE3 3.75Å; R335-W386 HydrophobicContact CG-CZ3 3.75Å; R337-W386 HydrophobicContact CB-CD2 3.64Å; R337-W386 HydrophobicContact CB-CE3 3.73Å; R337-W386 HydrophobicContact CB-CG 4.19Å; R337-W386 HydrophobicContact CB-CH2 4.06Å; R337-W386 HydrophobicContact CB-CZ2 3.98Å; R337-W386 HydrophobicContact CB-CZ3 3.94Å; R337-W386 HydrophobicContact CG-CD2 3.92Å; R337-W386 HydrophobicContact CG-CE3 4.5Å; R337-W386 HydrophobicContact CG-CG 4Å; R337-W386 HydrophobicContact CG-CZ2 4.46Å; W386-E476 HydrophobicContact CH2-CG 4.39Å; W386-E476 HydrophobicContact CZ2-CG 4.48Å |
| 387 | L | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.7 | 170.3 | -55.1 | -173.7 | 0 | 0 | 0 | 108.5 | R335 I336 I338 T358 V371 T373 E385 Y389 | R335-L387 CarbonylContact C-O 3.57Å; R335-L387 WeakPolarHBondContact CA-O 3.46Å; R335-L387 WeakPolarHBondContact CB-O 3.47Å; I336-L387 PolarHBondContact N-O 2.84Å; I336-L387 PolarHBondContact O-N 3.2Å; I338-L387 HydrophobicContact CD1-CD1 4.28Å; I338-L387 HydrophobicContact CG1-CD1 3.68Å; I338-L387 HydrophobicContact CG1-CG 4.04Å; T358-L387 HydrophobicContact CG2-CD1 3.75Å; T358-L387 WeakPolarHBondContact OG1-CD1 3.31Å; V371-L387 HydrophobicContact CB-CB 4.47Å; V371-L387 HydrophobicContact CG1-CB 3.97Å; V371-L387 HydrophobicContact CG1-CD1 4.34Å; V371-L387 HydrophobicContact CG1-CD2 4.01Å; V371-L387 HydrophobicContact CG1-CG 4.32Å; T373-L387 HydrophobicContact CG2-CD1 4.03Å; T373-L387 HydrophobicContact CG2-CD2 4.09Å; T373-L387 HydrophobicContact CG2-CG 4.41Å; E385-L387 HydrophobicContact CG-CD2 4.01Å; L387-Y389 HydrophobicContact CB-CE2 4.16Å |
| 388 | T | 97.8 | Very high | 96.9 | Very high | 83 Ų | 83 | 49.3 Ų | 49.3 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.8 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 108.7 | ||
| 389 | Y | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141.7 | 178.2 | -57.5 | -88.9 | 0 | 0 | 0 | 108.9 | L334 I336 T358 I360 V371 L387 M391 | L334-Y389 HydrophobicContact CB-CD2 4.44Å; L334-Y389 HydrophobicContact CD2-CD2 4.13Å; L334-Y389 HydrophobicContact CD2-CG 4.41Å; L334-Y389 HydrophobicContact CG-CD2 3.93Å; L334-Y389 PolarHBondContact O-N 3.42Å; I336-Y389 HydrophobicContact CB-CE2 3.95Å; I336-Y389 HydrophobicContact CD1-CE2 3.83Å; I336-Y389 HydrophobicContact CG1-CE2 3.81Å; T358-Y389 VanDerWaalsContact CB-OH 3.26Å; T358-Y389 WeakPolarHBondContact CB-OH 3.4Å; T358-Y389 WeakPolarHBondContact OG1-CE1 3.43Å; T358-Y389 PolarHBondContact OG1-OH 3.22Å; I360-Y389 HydrophobicContact CD1-CD1 4.22Å; I360-Y389 HydrophobicContact CD1-CE1 4.14Å; I360-Y389 HydrophobicContact CD1-CG 4.44Å; I360-Y389 HydrophobicContact CG1-CD1 3.8Å; I360-Y389 HydrophobicContact CG1-CE1 4.17Å; I360-Y389 HydrophobicContact CG1-CG 4.07Å; V371-Y389 HydrophobicContact CB-CD1 4.32Å; V371-Y389 HydrophobicContact CB-CE1 3.98Å; V371-Y389 HydrophobicContact CG2-CD1 3.61Å; V371-Y389 HydrophobicContact CG2-CE1 3.8Å; V371-Y389 HydrophobicContact CG2-CG 4.39Å; L387-Y389 HydrophobicContact CB-CE2 4.16Å; Y389-M391 PolarHBondContact O-N 3.24Å |
| 390 | D | 96.3 | Very high | 97.4 | Very high | 142 Ų | 142 | 44.2 Ų | 44.2 | 76% | 0.759 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 66.4 | 175.7 | -169 | 23 | 0 | 0 | 0 | 110.5 | C368 | C368-D390 WeakPolarHBondContact CB-O 3.21Å |
| 391 | M | 95.1 | Very high | 97.6 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 129.7 | -177.8 | 171.5 | 166.8 | -78.4 | 0 | 0 | 108.9 | T333 L334 I360 L367 C368 Y389 I396 N575 | T333-M391 CarbonylContact C-O 3.57Å; T333-M391 WeakPolarHBondContact CA-O 3.37Å; L334-M391 PolarHBondContact N-O 2.98Å; I360-M391 HydrophobicContact CG2-SD 4.31Å; L367-M391 HydrophobicContact CB-CE 3.42Å; L367-M391 VanDerWaalsContact CB-CE 3.42Å; L367-M391 HydrophobicContact CB-SD 4.49Å; L367-M391 HydrophobicContact CD1-CE 3.94Å; L367-M391 HydrophobicContact CD1-SD 4.42Å; L367-M391 HydrophobicContact CG-CE 4.28Å; C368-M391 HydrophobicContact CB-CB 4.4Å; Y389-M391 PolarHBondContact O-N 3.24Å; M391-I396 HydrophobicContact CG-CG1 4.36Å; M391-I396 HydrophobicContact SD-CG1 4.07Å; M391-N575 HydrophobicContact CE-CB 3.46Å; M391-N575 VanDerWaalsContact CE-CB 3.46Å |
| 392 | Y | 97.1 | Very high | 97.7 | Very high | 130 Ų | 130 | 40.8 Ų | 40.8 | 51% | 0.51 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 146.3 | 172.7 | -71.8 | -83.1 | 0 | 0 | 0 | 111.1 | T333 T394 E395 | T333-Y392 HydrophobicContact CG2-CD1 4.24Å; T333-Y392 HydrophobicContact CG2-CE1 4.14Å; Y392-T394 PolarHBondContact O-N 3.5Å; Y392-E395 PolarHBondContact O-N 2.92Å |
| 393 | V | 96.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -59.4 | -31.4 | 178.5 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | L327 I330 G332 E395 I396 L436 | L327-V393 HydrophobicContact CD1-CG1 3.49Å; L327-V393 VanDerWaalsContact CD1-CG1 3.49Å; L327-V393 WeakPolarHBondContact CD1-O 3.41Å; L327-V393 HydrophobicContact CG-CG1 4.3Å; L327-V393 WeakPolarHBondContact CG-O 3.29Å; I330-V393 HydrophobicContact CB-CB 4.32Å; I330-V393 HydrophobicContact CB-CG1 3.89Å; I330-V393 HydrophobicContact CG1-CG1 4.46Å; I330-V393 HydrophobicContact CG2-CB 3.99Å; I330-V393 HydrophobicContact CG2-CG1 3.8Å; I330-V393 HydrophobicContact CG2-CG2 4.28Å; G332-V393 PolarHBondContact O-N 3.23Å; V393-E395 PolarHBondContact O-N 3.13Å; V393-I396 HydrophobicContact CB-CD1 4.45Å; V393-I396 HydrophobicContact CG1-CD1 4.32Å; V393-I396 WeakPolarHBondContact O-CG1 3.44Å; V393-I396 PolarHBondContact O-N 2.72Å; V393-L436 HydrophobicContact CG1-CD2 4.25Å |
| 394 | T | 96.8 | Very high | 97.7 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -66.6 | -24.2 | 177.8 | 58.1 | 0 | 0 | 0 | 0 | 114 | W328 I330 Y392 R577 | W328-T394 PolarHBondContact NE1-O 3.46Å; I330-T394 VanDerWaalsContact O-CG2 3.31Å; I330-T394 WeakPolarHBondContact O-CG2 3.31Å; Y392-T394 PolarHBondContact O-N 3.5Å; T394-R577 WeakPolarHBondContact O-CD 3.11Å |
| 395 | E | 96.8 | Very high | 97.7 | Very high | 37 Ų | 37 | 28.5 Ų | 28.5 | 17% | 0.173 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -94.5 | -1.5 | -173.7 | -55.5 | -52.2 | 125.8 | 0 | 0 | 112.8 | Y392 V393 P397 N575 S576 R577 | Y392-E395 PolarHBondContact O-N 2.92Å; V393-E395 PolarHBondContact O-N 3.13Å; E395-P397 VanDerWaalsContact O-CD 3.23Å; E395-P397 WeakPolarHBondContact O-CD 3.39Å; E395-N575 WeakPolarHBondContact CB-O 3.39Å; E395-S576 WeakPolarHBondContact OE2-CA 3.44Å; E395-R577 WeakPolarHBondContact OE1-CD 3.4Å; E395-R577 IonicContact OE1-NE 3.47Å; E395-R577 PolarHBondContact OE1-NE 2.86Å; E395-R577 WeakPolarHBondContact OE2-CG 3.33Å; E395-R577 PolarHBondContact OE2-N 3.13Å |
| 396 | I | 97.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | trans | -69.1 | 116.2 | -179.1 | -57.4 | 175.8 | 0 | 0 | 0 | 108.8 | L334 M391 V393 A400 L429 F430 | L334-I396 HydrophobicContact CD1-CD1 4.11Å; L334-I396 HydrophobicContact CD2-CD1 4.27Å; M391-I396 HydrophobicContact CG-CG1 4.36Å; M391-I396 HydrophobicContact SD-CG1 4.07Å; V393-I396 HydrophobicContact CB-CD1 4.45Å; V393-I396 HydrophobicContact CG1-CD1 4.32Å; V393-I396 WeakPolarHBondContact O-CG1 3.44Å; V393-I396 PolarHBondContact O-N 2.72Å; I396-A400 HydrophobicContact CG2-CB 3.4Å; I396-A400 VanDerWaalsContact CG2-CB 3.4Å; I396-L429 HydrophobicContact CG2-CD1 3.91Å; I396-F430 HydrophobicContact CB-CE2 4.47Å; I396-F430 HydrophobicContact CG2-CE2 3.7Å; I396-F430 HydrophobicContact CG2-CZ 4.15Å | ||
| 397 | P | 98 | Very high | 97.7 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.032 | 11% | 0.111 | C | C | . | . | trans | -70.4 | 158.7 | 178.3 | 29.3 | -35 | 0 | 0 | 0 | 111.2 | L367 E395 A399 A400 W574 | L367-P397 HydrophobicContact CD1-CG 3.63Å; E395-P397 VanDerWaalsContact O-CD 3.23Å; E395-P397 WeakPolarHBondContact O-CD 3.39Å; P397-A399 PolarHBondContact O-N 3.31Å; P397-A399 VanDerWaalsContact O-N 3.11Å; P397-A400 HydrophobicContact CG-CB 4.01Å; P397-A400 VanDerWaalsContact O-CB 3.27Å; P397-A400 WeakPolarHBondContact O-CB 3.44Å; P397-A400 PolarHBondContact O-N 3.05Å; P397-W574 HydrophobicContact CB-CE3 4.26Å; P397-W574 WeakPolarHBondContact CB-O 3.35Å; P397-W574 WeakPolarHBondContact CD-O 3.08Å; P397-W574 VanDerWaalsContact CG-O 3.3Å; P397-W574 WeakPolarHBondContact CG-O 3.46Å | ||
| 398 | R | 98 | Very high | 97.6 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 4% | 0.038 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -36.6 | -175.2 | -180 | 59.2 | -170.9 | 81.3 | -8.5 | 112.8 | F430 D431 H434 F486 P609 Y644 | R398-F430 WeakPolarHBondContact O-CD2 3.48Å; R398-D431 PolarHBondContact NH2-O 3.03Å; R398-H434 PolarHBondContact NE-ND1 2.85Å; R398-F486 HydrophobicContact CB-CD1 4.34Å; R398-F486 HydrophobicContact CB-CD2 4.18Å; R398-F486 HydrophobicContact CB-CE1 3.93Å; R398-F486 HydrophobicContact CB-CE2 3.79Å; R398-F486 HydrophobicContact CB-CG 4.46Å; R398-F486 HydrophobicContact CB-CZ 3.65Å; R398-F486 HydrophobicContact CG-CD1 4.44Å; R398-F486 HydrophobicContact CG-CE1 4.43Å; R398-P609 HydrophobicContact CG-CG 3.94Å; R398-Y644 PolarHBondContact NH1-OH 2.9Å; R398-Y644 PolarHBondContact NH2-OH 3.3Å; R398-Y644 VanDerWaalsContact NH2-OH 3.07Å |
| 399 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 14 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P397 P607 Q643 | P397-A399 PolarHBondContact O-N 3.31Å; P397-A399 VanDerWaalsContact O-N 3.11Å; A399-P607 HydrophobicContact CB-CB 3.91Å; A399-P607 HydrophobicContact CB-CG 3.85Å; A399-Q643 PolarHBondContact O-NE2 3.19Å |
| 400 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -63.2 | 141.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y361 L367 I396 P397 L429 | Y361-A400 WeakPolarHBondContact O-CA 3.5Å; L367-A400 HydrophobicContact CD1-CB 4.34Å; I396-A400 HydrophobicContact CG2-CB 3.4Å; I396-A400 VanDerWaalsContact CG2-CB 3.4Å; P397-A400 HydrophobicContact CG-CB 4.01Å; P397-A400 VanDerWaalsContact O-CB 3.27Å; P397-A400 WeakPolarHBondContact O-CB 3.44Å; P397-A400 PolarHBondContact O-N 3.05Å; A400-L429 HydrophobicContact CB-CD1 3.88Å; A400-L429 HydrophobicContact CB-CG 4.45Å; A400-L429 PolarHBondContact O-N 2.85Å | ||
| 401 | R | 98.3 | Very high | 96.2 | Very high | 23 Ų | 23 | 17 Ų | 17 | 9% | 0.087 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.5 | -179.8 | -59.9 | -179.2 | -66.1 | 142.6 | 5.9 | 111.2 | I360 Y361 G363 I427 N428 P458 T462 | I360-R401 WeakPolarHBondContact CA-O 3.39Å; Y361-R401 PolarHBondContact N-O 2.8Å; Y361-R401 PolarHBondContact O-N 3.47Å; G363-R401 PolarHBondContact O-NH2 3.48Å; R401-I427 CarbonylContact C-O 3.17Å; R401-I427 VanDerWaalsContact CA-O 3.25Å; R401-I427 WeakPolarHBondContact CA-O 3.1Å; R401-N428 WeakPolarHBondContact CD-OD1 3.44Å; R401-N428 WeakPolarHBondContact CG-OD1 3.41Å; R401-P458 VanDerWaalsContact CZ-O 3.25Å; R401-P458 PolarHBondContact NH1-O 2.83Å; R401-P458 PolarHBondContact NH2-O 3.3Å; R401-T462 HydrophobicContact CG-CG2 4.4Å |
| 402 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 119.4 | 162.9 | 173.9 | 65.7 | 0 | 0 | 0 | 108.4 | I336 I360 L404 N426 I427 L429 F477 | I336-L402 HydrophobicContact CD1-CD1 3.92Å; I336-L402 HydrophobicContact CD1-CD2 3.87Å; I336-L402 HydrophobicContact CD1-CG 4.33Å; I336-L402 HydrophobicContact CG2-CD2 4.39Å; I360-L402 HydrophobicContact CD1-CB 4.47Å; I360-L402 HydrophobicContact CD1-CD1 3.87Å; L402-L404 HydrophobicContact CD2-CD2 3.83Å; L402-L404 HydrophobicContact CG-CD2 4.18Å; L402-N426 CarbonylContact O-C 3.53Å; L402-N426 VanDerWaalsContact O-CA 3.29Å; L402-N426 WeakPolarHBondContact O-CA 3.28Å; L402-I427 HydrophobicContact CB-CB 4.43Å; L402-I427 HydrophobicContact CD2-CD1 4.27Å; L402-I427 PolarHBondContact N-O 3.02Å; L402-I427 PolarHBondContact O-N 2.87Å; L402-L429 HydrophobicContact CB-CD2 3.96Å; L402-F477 HydrophobicContact CD2-CE1 4.27Å; L402-F477 HydrophobicContact CD2-CZ 4.01Å |
| 403 | C | 98.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.9 | 170.7 | -58 | 0 | 0 | 0 | 0 | 108.8 | T358 G359 Y361 N426 | T358-C403 CarbonylContact C-O 3.6Å; T358-C403 WeakPolarHBondContact CA-O 3.42Å; G359-C403 PolarHBondContact N-O 3.21Å; G359-C403 PolarHBondContact O-N 2.88Å; Y361-C403 HydrophobicContact CD2-CB 3.67Å; Y361-C403 HydrophobicContact CE2-CB 4.01Å; C403-N426 WeakPolarHBondContact CA-OD1 3.32Å; C403-N426 WeakPolarHBondContact CB-OD1 3.47Å |
| 404 | L | 98.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 158.6 | -177.8 | 62.8 | 76.6 | 0 | 0 | 0 | 113.3 | V356 R357 T358 L402 W424 G425 L443 L445 L473 L475 | V356-L404 HydrophobicContact CG1-CB 4.49Å; R357-L404 CarbonylContact O-C 3.55Å; R357-L404 WeakPolarHBondContact O-CA 3.32Å; R357-L404 WeakPolarHBondContact O-CB 3.41Å; T358-L404 HydrophobicContact CG2-CB 3.95Å; L402-L404 HydrophobicContact CD2-CD2 3.83Å; L402-L404 HydrophobicContact CG-CD2 4.18Å; L404-W424 WeakPolarHBondContact O-CA 3.46Å; L404-G425 WeakPolarHBondContact CG-O 3.48Å; L404-G425 PolarHBondContact N-O 3.3Å; L404-G425 PolarHBondContact O-N 3.25Å; L404-L443 HydrophobicContact CD1-CD2 4.02Å; L404-L443 HydrophobicContact CD2-CD2 4.35Å; L404-L443 HydrophobicContact CG-CD2 4.41Å; L404-L445 HydrophobicContact CD1-CD2 3.75Å; L404-L473 HydrophobicContact CD1-CD2 3.6Å; L404-L473 HydrophobicContact CD2-CD2 3.91Å; L404-L473 HydrophobicContact CG-CD2 4.39Å; L404-L475 HydrophobicContact CD2-CD1 3.88Å; L404-L475 HydrophobicContact CD2-CD2 4Å |
| 405 | S | 98.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 154.3 | 174.1 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | V356 R357 C407 A423 L455 | V356-S405 CarbonylContact C-O 3.52Å; V356-S405 VanDerWaalsContact CA-O 3.31Å; V356-S405 WeakPolarHBondContact CA-O 3.4Å; R357-S405 PolarHBondContact N-O 3.36Å; R357-S405 PolarHBondContact O-N 3.28Å; S405-C407 PolarHBondContact OG-SG 2.93Å; S405-A423 CarbonylContact C-O 3.55Å; S405-A423 WeakPolarHBondContact CA-O 3.46Å; S405-A423 VanDerWaalsContact CB-O 3.3Å; S405-A423 WeakPolarHBondContact CB-O 3.31Å; S405-L455 VanDerWaalsContact CB-O 3.25Å; S405-L455 WeakPolarHBondContact CB-O 3.38Å; S405-L455 PolarHBondContact OG-O 3.35Å |
| 406 | I | 98.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 123.4 | 165.3 | -53.7 | 178 | 0 | 0 | 0 | 107.1 | A341 V344 I354 V356 L422 A423 L445 | A341-I406 HydrophobicContact CB-CD1 3.75Å; V344-I406 HydrophobicContact CG1-CD1 3.97Å; V344-I406 HydrophobicContact CG1-CG2 4.04Å; I354-I406 HydrophobicContact CB-CG2 4.47Å; V356-I406 HydrophobicContact CG2-CG1 4.38Å; I406-L422 HydrophobicContact CG2-CD1 4.18Å; I406-L422 WeakPolarHBondContact O-CB 3.29Å; I406-L422 PolarHBondContact O-N 3.37Å; I406-A423 PolarHBondContact N-O 3.11Å; I406-L445 HydrophobicContact CD1-CD1 3.53Å; I406-L445 HydrophobicContact CG1-CD1 3.69Å |
| 407 | C | 98.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.5 | 179.5 | -60 | 0 | 0 | 0 | 0 | 111.1 | I354 Y355 S405 C420 | I354-C407 CarbonylContact C-O 3.53Å; I354-C407 WeakPolarHBondContact CA-O 3.09Å; I354-C407 WeakPolarHBondContact CB-O 3.47Å; Y355-C407 HydrophobicContact CD1-CB 4.08Å; Y355-C407 HydrophobicContact CD2-CB 4.5Å; Y355-C407 HydrophobicContact CE1-CB 3.5Å; Y355-C407 VanDerWaalsContact CE1-CB 3.5Å; Y355-C407 HydrophobicContact CE2-CB 4Å; Y355-C407 VanDerWaalsContact CZ-CB 3.45Å; Y355-C407 PolarHBondContact N-O 2.85Å; Y355-C407 PolarHBondContact O-N 3.48Å; S405-C407 PolarHBondContact OG-SG 2.93Å; C407-C420 CarbonylContact C-O 3.55Å; C407-C420 VanDerWaalsContact CA-O 3.26Å; C407-C420 WeakPolarHBondContact CA-O 3.36Å |
| 408 | S | 95.9 | Very high | 88.8 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 149.4 | 166.4 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | H419 C420 | S408-H419 WeakPolarHBondContact O-CA 3.45Å; S408-C420 PolarHBondContact N-O 2.78Å; S408-C420 PolarHBondContact O-N 3.21Å; S408-C420 VanDerWaalsContact O-N 3.15Å; S408-C420 PolarHBondContact OG-O 3.36Å |
| 409 | V | 94.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.3 | 168 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | D352 K353 Y355 E417 | D352-V409 PolarHBondContact N-O 3.27Å; D352-V409 VanDerWaalsContact N-O 3.1Å; K353-V409 PolarHBondContact O-N 2.77Å; Y355-V409 HydrophobicContact CD1-CG2 3.76Å; Y355-V409 HydrophobicContact CE1-CG2 3.46Å; Y355-V409 VanDerWaalsContact CE1-CG2 3.46Å; V409-E417 HydrophobicContact CG1-CB 4.14Å; V409-E417 HydrophobicContact CG1-CG 4.31Å |
| 410 | K | 89.6 | Confident | 88.4 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 30% | 0.3 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.6 | 174 | -178.8 | 172.8 | -170.5 | 171.7 | 0 | 110.2 | D350 E418 | D350-K410 VanDerWaalsContact O-CD 3.27Å; D350-K410 WeakPolarHBondContact O-CD 3.49Å; D350-K410 VanDerWaalsContact O-CE 3.29Å; D350-K410 WeakPolarHBondContact O-CE 3.43Å; D350-K410 VanDerWaalsContact O-CG 3.3Å; D350-K410 WeakPolarHBondContact O-CG 3.39Å; K410-E418 HydrophobicContact CB-CB 4.39Å; K410-E418 PolarHBondContact N-O 3.27Å; K410-E418 PolarHBondContact O-N 3.33Å |
| 411 | G | 78.5 | Confident | 88.3 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | trans | -87.3 | 119.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D352 | D352-G411 WeakPolarHBondContact OD2-CA 3.49Å; D352-G411 PolarHBondContact OD2-N 3.44Å | ||
| 412 | R | 70.4 | Confident | 88.2 | Confident | 141 Ų | 141 | 56.9 Ų | 56.9 | 53% | 0.532 | 31% | 0.307 | S | S | . | . | trans | -98.8 | 131.8 | 165.6 | -63.6 | -177.7 | -163.4 | -168.1 | 5.1 | 108.3 | G414 A415 E418 | R412-G414 PolarHBondContact O-N 2.71Å; R412-A415 HydrophobicContact CB-CB 4.16Å; R412-A415 PolarHBondContact O-N 3.39Å; R412-E418 IonicContact CZ-OE2 2.87Å; R412-E418 IonicContact NE-OE2 2.85Å; R412-E418 PolarHBondContact NE-OE2 3.02Å; R412-E418 IonicContact NH2-OE1 2.95Å; R412-E418 IonicContact NH2-OE2 3.78Å; R412-E418 PolarHBondContact NH2-OE2 2.84Å | ||
| 413 | K | 59.5 | Low | 88.1 | Confident | 219 Ų | 219 | 57.1 Ų | 57.1 | 95% | 0.952 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 111.8 | 178.3 | -81.1 | -173.4 | 176.1 | -178.7 | 0 | 110.4 | ||
| 414 | G | 66.8 | Low | 88.1 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 95% | 0.948 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 6.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | R412 | R412-G414 PolarHBondContact O-N 2.71Š|
| 415 | A | 69.5 | Low | 88.1 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 52% | 0.521 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -122.8 | 166.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R412 | R412-A415 HydrophobicContact CB-CB 4.16Å; R412-A415 PolarHBondContact O-N 3.39Å |
| 416 | K | 79.4 | Confident | 88.1 | Confident | 198 Ų | 198 | 57.7 Ų | 57.7 | 86% | 0.861 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 141 | 173.3 | -108 | -178.5 | 174.8 | -177.7 | 0 | 110.5 | E418 | K416-E418 PolarHBondContact O-N 2.82Š|
| 417 | E | 86.5 | Confident | 88.1 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 133.7 | 171.7 | -66.2 | -174.4 | 152.8 | 0 | 0 | 110 | R375 V409 H419 | R375-E417 IonicContact CZ-OE1 2.83Å; R375-E417 IonicContact CZ-OE2 2.68Å; R375-E417 VanDerWaalsContact CZ-OE2 3.29Å; R375-E417 VanDerWaalsContact NH1-CD 3.28Å; R375-E417 IonicContact NH1-OE1 3.55Å; R375-E417 PolarHBondContact NH1-OE1 2.89Å; R375-E417 IonicContact NH1-OE2 3.61Å; R375-E417 PolarHBondContact NH1-OE2 2.95Å; R375-E417 IonicContact NH2-OE1 2.78Å; R375-E417 IonicContact NH2-OE2 3.41Å; R375-E417 PolarHBondContact NH2-OE2 2.94Å; V409-E417 HydrophobicContact CG1-CB 4.14Å; V409-E417 HydrophobicContact CG1-CG 4.31Å; E417-H419 IonicContact OE2-NE2 3.2Å |
| 418 | E | 89.3 | Confident | 88.1 | Confident | 80 Ų | 80 | 59.1 Ų | 59.1 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.5 | 177.1 | -172.3 | 176.3 | -174.1 | 0 | 0 | 108.4 | K410 R412 K416 | K410-E418 HydrophobicContact CB-CB 4.39Å; K410-E418 PolarHBondContact N-O 3.27Å; K410-E418 PolarHBondContact O-N 3.33Å; R412-E418 IonicContact CZ-OE2 2.87Å; R412-E418 IonicContact NE-OE2 2.85Å; R412-E418 PolarHBondContact NE-OE2 3.02Å; R412-E418 IonicContact NH2-OE1 2.95Å; R412-E418 IonicContact NH2-OE2 3.78Å; R412-E418 PolarHBondContact NH2-OE2 2.84Å; K416-E418 PolarHBondContact O-N 2.82Å |
| 419 | H | 94.1 | Very high | 88.2 | Confident | 65 Ų | 65 | 59 Ų | 59 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.5 | -179.2 | -66.6 | -105.4 | 0 | 0 | 0 | 109.5 | Y355 S408 E417 L455 | Y355-H419 AromaticContact CE1-ND1 3.74Å; Y355-H419 AromaticContact CZ-ND1 3.77Å; Y355-H419 PolarHBondContact OH-ND1 2.88Å; S408-H419 WeakPolarHBondContact O-CA 3.45Å; E417-H419 IonicContact OE2-NE2 3.2Å; H419-L455 HydrophobicContact CB-CD1 4.2Å; H419-L455 HydrophobicContact CB-CD2 3.9Å |
| 420 | C | 94.1 | Very high | 88.4 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 35% | 0.345 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.9 | 177.6 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | C407 S408 | C407-C420 CarbonylContact C-O 3.55Å; C407-C420 VanDerWaalsContact CA-O 3.26Å; C407-C420 WeakPolarHBondContact CA-O 3.36Å; S408-C420 PolarHBondContact N-O 2.78Å; S408-C420 PolarHBondContact O-N 3.21Å; S408-C420 VanDerWaalsContact O-N 3.15Å; S408-C420 PolarHBondContact OG-O 3.36Å |
| 421 | P | 96.3 | Very high | 88.7 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 142.7 | 169.9 | 33 | -34.6 | 0 | 0 | 0 | 110.3 | V448 | P421-V448 HydrophobicContact CB-CG2 3.91Å; P421-V448 HydrophobicContact CG-CG1 3.97Å; P421-V448 HydrophobicContact CG-CG2 4.04Å |
| 422 | L | 96.3 | Very high | 89.5 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -40.9 | 178.3 | -59 | 176.1 | 0 | 0 | 0 | 111.7 | V346 I354 I406 | V346-L422 HydrophobicContact CG1-CD1 3.47Å; V346-L422 VanDerWaalsContact CG1-CD1 3.47Å; V346-L422 HydrophobicContact CG1-CD2 3.8Å; V346-L422 HydrophobicContact CG1-CG 4.29Å; I354-L422 HydrophobicContact CG2-CD1 3.97Å; I406-L422 HydrophobicContact CG2-CD1 4.18Å; I406-L422 WeakPolarHBondContact O-CB 3.29Å; I406-L422 PolarHBondContact O-N 3.37Å |
| 423 | A | 97.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 5% | 0.05 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 152.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S405 I406 L445 W446 | S405-A423 CarbonylContact C-O 3.55Å; S405-A423 WeakPolarHBondContact CA-O 3.46Å; S405-A423 VanDerWaalsContact CB-O 3.3Å; S405-A423 WeakPolarHBondContact CB-O 3.31Å; I406-A423 PolarHBondContact N-O 3.11Å; A423-L445 HydrophobicContact CB-CB 3.71Å; A423-L445 HydrophobicContact CB-CD1 3.88Å; A423-L445 HydrophobicContact CB-CG 4.47Å; A423-W446 VanDerWaalsContact CA-O 3.31Å; A423-W446 WeakPolarHBondContact CA-O 3.45Å |
| 424 | W | 98.2 | Very high | 92.4 | Very high | 13 Ų | 13 | 49 Ų | 49 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 162.7 | -175.3 | 67.8 | -83.6 | 0 | 0 | 0 | 112.2 | L404 L445 W446 P447 N457 V461 | L404-W424 WeakPolarHBondContact O-CA 3.46Å; W424-L445 WeakPolarHBondContact O-CA 3.09Å; W424-L445 WeakPolarHBondContact O-CB 3.36Å; W424-W446 HydrophobicContact CD2-CB 4.04Å; W424-W446 VanDerWaalsContact CE2-CB 3.48Å; W424-W446 HydrophobicContact CG-CB 4.42Å; W424-W446 HydrophobicContact CH2-CB 4.32Å; W424-W446 HydrophobicContact CH2-CG 4.18Å; W424-W446 HydrophobicContact CZ2-CB 3.66Å; W424-W446 AromaticContact CZ2-CG 3.95Å; W424-W446 HydrophobicContact CZ2-CG 3.95Å; W424-W446 PolarHBondContact N-O 3.28Å; W424-W446 PolarHBondContact O-N 3.49Å; W424-P447 PolarHBondContact NE1-O 2.73Å; W424-N457 HydrophobicContact CD2-CB 3.87Å; W424-N457 HydrophobicContact CE3-CB 3.95Å; W424-N457 HydrophobicContact CG-CB 4.14Å; W424-N457 WeakPolarHBondContact CZ2-ND2 3.34Å; W424-V461 HydrophobicContact CH2-CG1 4.28Å; W424-V461 WeakPolarHBondContact CZ3-O 3.49Å |
| 425 | G | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 148.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L404 | L404-G425 WeakPolarHBondContact CG-O 3.48Å; L404-G425 PolarHBondContact N-O 3.3Å; L404-G425 PolarHBondContact O-N 3.25Å |
| 426 | N | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.3 | -177.7 | -59.6 | -24.8 | 0 | 0 | 0 | 110.3 | L402 C403 N457 G460 T462 G463 | L402-N426 CarbonylContact O-C 3.53Å; L402-N426 VanDerWaalsContact O-CA 3.29Å; L402-N426 WeakPolarHBondContact O-CA 3.28Å; C403-N426 WeakPolarHBondContact CA-OD1 3.32Å; C403-N426 WeakPolarHBondContact CB-OD1 3.47Å; N426-N457 PolarHBondContact ND2-O 3.39Å; N426-G460 PolarHBondContact ND2-O 3.12Å; N426-T462 HydrophobicContact CB-CG2 4.07Å; N426-T462 CarbonylContact O-C 3.55Å; N426-T462 WeakPolarHBondContact O-CA 3.14Å; N426-G463 PolarHBondContact O-N 2.95Å |
| 427 | I | 98.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.046 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.1 | -179.5 | -64.4 | 160.7 | 0 | 0 | 0 | 108.9 | R401 L402 L429 M441 L443 L475 F477 | R401-I427 CarbonylContact C-O 3.17Å; R401-I427 VanDerWaalsContact CA-O 3.25Å; R401-I427 WeakPolarHBondContact CA-O 3.1Å; L402-I427 HydrophobicContact CB-CB 4.43Å; L402-I427 HydrophobicContact CD2-CD1 4.27Å; L402-I427 PolarHBondContact N-O 3.02Å; L402-I427 PolarHBondContact O-N 2.87Å; I427-L429 PolarHBondContact O-N 2.97Å; I427-M441 HydrophobicContact CD1-SD 3.55Å; I427-M441 VanDerWaalsContact CD1-SD 3.55Å; I427-M441 HydrophobicContact CG1-SD 4.02Å; I427-M441 HydrophobicContact CG2-CE 4.37Å; I427-M441 HydrophobicContact CG2-SD 4.06Å; I427-L443 HydrophobicContact CD1-CD1 4.19Å; I427-L443 HydrophobicContact CD1-CD2 3.79Å; I427-L443 HydrophobicContact CD1-CG 4.4Å; I427-L443 HydrophobicContact CG1-CD1 3.94Å; I427-L443 HydrophobicContact CG1-CD2 4.05Å; I427-L475 HydrophobicContact CD1-CD1 3.51Å; I427-F477 HydrophobicContact CD1-CZ 4.21Å; I427-F477 HydrophobicContact CG2-CZ 4.25Å |
| 428 | N | 98.4 | Very high | 96.3 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 129.4 | 166.8 | -68.4 | -39.8 | 0 | 0 | 0 | 108.9 | R401 F430 V437 Q643 | R401-N428 WeakPolarHBondContact CD-OD1 3.44Å; R401-N428 WeakPolarHBondContact CG-OD1 3.41Å; N428-F430 VanDerWaalsContact CB-O 3.29Å; N428-F430 WeakPolarHBondContact CB-O 3.47Å; N428-F430 PolarHBondContact O-N 3.2Å; N428-V437 WeakPolarHBondContact O-CG2 3.22Å; N428-Q643 PolarHBondContact ND2-O 3.19Å; N428-Q643 PolarHBondContact OD1-NE2 2.96Å; N428-Q643 VanDerWaalsContact OD1-NE2 3.1Å |
| 429 | L | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -70.6 | -19 | 178.5 | -67.6 | -176 | 0 | 0 | 0 | 112.6 | L334 I360 I396 A400 L402 I427 L436 V437 F477 | L334-L429 HydrophobicContact CD2-CD1 4.26Å; I360-L429 HydrophobicContact CD1-CD1 4.49Å; I360-L429 HydrophobicContact CG2-CD1 4.1Å; I396-L429 HydrophobicContact CG2-CD1 3.91Å; A400-L429 HydrophobicContact CB-CD1 3.88Å; A400-L429 HydrophobicContact CB-CG 4.45Å; A400-L429 PolarHBondContact O-N 2.85Å; L402-L429 HydrophobicContact CB-CD2 3.96Å; I427-L429 PolarHBondContact O-N 2.97Å; L429-L436 HydrophobicContact CB-CD1 4.47Å; L429-L436 WeakPolarHBondContact O-CA 3.08Å; L429-L436 WeakPolarHBondContact O-CD1 3.43Å; L429-V437 WeakPolarHBondContact O-CG2 3.34Å; L429-V437 PolarHBondContact O-N 3.42Å; L429-F477 HydrophobicContact CD2-CE1 3.98Å |
| 430 | F | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -116.2 | 143.5 | 171.2 | -61.4 | -84.1 | 0 | 0 | 0 | 110.5 | L327 I396 R398 N428 T435 L436 F486 Y644 | L327-F430 HydrophobicContact CD1-CE1 4.11Å; L327-F430 HydrophobicContact CD1-CZ 4Å; L327-F430 HydrophobicContact CD2-CE1 4.24Å; L327-F430 HydrophobicContact CD2-CZ 3.68Å; L327-F430 HydrophobicContact CG-CZ 4.45Å; I396-F430 HydrophobicContact CB-CE2 4.47Å; I396-F430 HydrophobicContact CG2-CE2 3.7Å; I396-F430 HydrophobicContact CG2-CZ 4.15Å; R398-F430 WeakPolarHBondContact O-CD2 3.48Å; N428-F430 VanDerWaalsContact CB-O 3.29Å; N428-F430 WeakPolarHBondContact CB-O 3.47Å; N428-F430 PolarHBondContact O-N 3.2Å; F430-T435 CarbonylContact C-O 3.48Å; F430-T435 VanDerWaalsContact CA-O 3.29Å; F430-T435 WeakPolarHBondContact CA-O 3.46Å; F430-L436 HydrophobicContact CD1-CB 4.14Å; F430-L436 HydrophobicContact CD1-CD1 4.28Å; F430-L436 HydrophobicContact CE1-CB 3.91Å; F430-L436 HydrophobicContact CE1-CD1 3.78Å; F430-L436 HydrophobicContact CE1-CG 4.46Å; F430-L436 HydrophobicContact CE2-CD1 4.48Å; F430-L436 HydrophobicContact CZ-CD1 3.88Å; F430-F486 HydrophobicContact CD1-CB 4.32Å; F430-F486 HydrophobicContact CE1-CB 4.17Å; F430-F486 HydrophobicContact CE1-CD2 4.1Å; F430-F486 HydrophobicContact CE2-CD2 4.11Å; F430-F486 AromaticContact CZ-CD2 3.81Å; F430-F486 HydrophobicContact CZ-CD2 3.81Å; F430-Y644 PolarHBondContact O-OH 2.87Å |
| 431 | D | 96.1 | Very high | 96.9 | Very high | 58 Ų | 58 | 35.1 Ų | 35.1 | 31% | 0.31 | 19% | 0.188 | S | C | . | . | trans | -80.4 | 178 | 169.4 | 72.5 | 17.5 | 0 | 0 | 0 | 112.5 | R398 T433 H434 T435 Y644 | R398-D431 PolarHBondContact NH2-O 3.03Å; D431-T433 PolarHBondContact O-N 2.78Å; D431-T433 VanDerWaalsContact O-N 3.17Å; D431-T433 VanDerWaalsContact OD1-CA 3.29Å; D431-T433 WeakPolarHBondContact OD1-CA 3.42Å; D431-T433 WeakPolarHBondContact OD1-CB 3.17Å; D431-T433 PolarHBondContact OD1-N 3.49Å; D431-T433 PolarHBondContact OD1-OG1 3.26Å; D431-T433 PolarHBondContact OD2-OG1 3.39Å; D431-H434 PolarHBondContact O-N 3.41Å; D431-H434 VanDerWaalsContact O-N 3.11Å; D431-H434 PolarHBondContact OD1-N 3.25Å; D431-T435 PolarHBondContact N-O 3.4Å; D431-T435 WeakPolarHBondContact OD1-CB 3.47Å; D431-T435 PolarHBondContact OD1-N 2.93Å; D431-T435 WeakPolarHBondContact OD2-CB 3.42Å; D431-Y644 PolarHBondContact O-OH 3.22Å; D431-Y644 VanDerWaalsContact O-OH 3.07Å | ||
| 432 | Y | 95.9 | Very high | 96.9 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 22% | 0.224 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.2 | -179.8 | 76.6 | -78.9 | 0 | 0 | 0 | 113.5 | S134 E135 D138 H434 Y644 | S134-Y432 WeakPolarHBondContact CB-OH 3.28Å; S134-Y432 PolarHBondContact OG-OH 3.13Å; E135-Y432 HydrophobicContact CB-CD1 3.65Å; E135-Y432 HydrophobicContact CB-CE1 3.78Å; E135-Y432 HydrophobicContact CB-CG 4.12Å; E135-Y432 HydrophobicContact CG-CD1 3.82Å; E135-Y432 HydrophobicContact CG-CD2 4.3Å; E135-Y432 HydrophobicContact CG-CE1 4.36Å; E135-Y432 HydrophobicContact CG-CG 3.78Å; D138-Y432 HydrophobicContact CB-CE2 4.27Å; D138-Y432 WeakPolarHBondContact OD2-CE2 3.45Å; D138-Y432 PolarHBondContact OD2-OH 3.43Å; Y432-H434 VanDerWaalsContact C-N 3.34Å; Y432-Y644 VanDerWaalsContact N-CE1 3.27Å |
| 433 | T | 94.9 | Very high | 97 | Very high | 49 Ų | 49 | 34.6 Ų | 34.6 | 30% | 0.301 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 11.1 | 177.6 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | D431 T435 | D431-T433 PolarHBondContact O-N 2.78Å; D431-T433 VanDerWaalsContact O-N 3.17Å; D431-T433 VanDerWaalsContact OD1-CA 3.29Å; D431-T433 WeakPolarHBondContact OD1-CA 3.42Å; D431-T433 WeakPolarHBondContact OD1-CB 3.17Å; D431-T433 PolarHBondContact OD1-N 3.49Å; D431-T433 PolarHBondContact OD1-OG1 3.26Å; D431-T433 PolarHBondContact OD2-OG1 3.39Å; T433-T435 VanDerWaalsContact C-N 3.26Å; T433-T435 PolarHBondContact O-N 2.88Å; T433-T435 PolarHBondContact OG1-OG1 2.95Å |
| 434 | H | 95.8 | Very high | 97.1 | Very high | 95 Ų | 95 | 35.3 Ų | 35.3 | 44% | 0.44 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 68.7 | 18.8 | -177.1 | -51.1 | -104.7 | 0 | 0 | 0 | 114 | R398 D431 Y432 K485 F486 | R398-H434 PolarHBondContact NE-ND1 2.85Å; D431-H434 PolarHBondContact O-N 3.41Å; D431-H434 VanDerWaalsContact O-N 3.11Å; D431-H434 PolarHBondContact OD1-N 3.25Å; Y432-H434 VanDerWaalsContact C-N 3.34Å; H434-K485 CarbonylContact O-C 3.49Å; H434-K485 VanDerWaalsContact O-CA 3.28Å; H434-K485 WeakPolarHBondContact O-CA 3.07Å; H434-F486 HydrophobicContact CB-CB 4.16Å; H434-F486 PolarHBondContact O-N 3.34Å |
| 435 | T | 96.4 | Very high | 97.1 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -92.2 | 131 | -179.2 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | F430 D431 T433 P483 V484 | F430-T435 CarbonylContact C-O 3.48Å; F430-T435 VanDerWaalsContact CA-O 3.29Å; F430-T435 WeakPolarHBondContact CA-O 3.46Å; D431-T435 PolarHBondContact N-O 3.4Å; D431-T435 WeakPolarHBondContact OD1-CB 3.47Å; D431-T435 PolarHBondContact OD1-N 2.93Å; D431-T435 WeakPolarHBondContact OD2-CB 3.42Å; T433-T435 VanDerWaalsContact C-N 3.26Å; T433-T435 PolarHBondContact O-N 2.88Å; T433-T435 PolarHBondContact OG1-OG1 2.95Å; T435-P483 HydrophobicContact CG2-CB 4.12Å; T435-V484 CarbonylContact C-O 3.55Å; T435-V484 WeakPolarHBondContact CA-O 3.46Å |
| 436 | L | 97.2 | Very high | 97 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -65.7 | 132.1 | 175.1 | -175.9 | 73.6 | 0 | 0 | 0 | 109.8 | L327 V393 L429 F430 A438 F480 V484 | L327-L436 HydrophobicContact CD1-CD1 4.35Å; L327-L436 HydrophobicContact CD1-CD2 4.01Å; V393-L436 HydrophobicContact CG1-CD2 4.25Å; L429-L436 HydrophobicContact CB-CD1 4.47Å; L429-L436 WeakPolarHBondContact O-CA 3.08Å; L429-L436 WeakPolarHBondContact O-CD1 3.43Å; F430-L436 HydrophobicContact CD1-CB 4.14Å; F430-L436 HydrophobicContact CD1-CD1 4.28Å; F430-L436 HydrophobicContact CE1-CB 3.91Å; F430-L436 HydrophobicContact CE1-CD1 3.78Å; F430-L436 HydrophobicContact CE1-CG 4.46Å; F430-L436 HydrophobicContact CE2-CD1 4.48Å; F430-L436 HydrophobicContact CZ-CD1 3.88Å; L436-A438 PolarHBondContact O-N 2.68Å; L436-F480 HydrophobicContact CD2-CE2 3.77Å; L436-F480 HydrophobicContact CD2-CZ 4.46Å; L436-V484 HydrophobicContact CB-CB 4.11Å; L436-V484 HydrophobicContact CB-CG1 4.31Å; L436-V484 HydrophobicContact CD2-CB 4.33Å; L436-V484 HydrophobicContact CD2-CG1 4.24Å; L436-V484 PolarHBondContact N-O 3.15Å |
| 437 | V | 96.1 | Very high | 96.9 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 132.4 | 178.5 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | N428 L429 M441 F477 | N428-V437 WeakPolarHBondContact O-CG2 3.22Å; L429-V437 WeakPolarHBondContact O-CG2 3.34Å; L429-V437 PolarHBondContact O-N 3.42Å; V437-M441 HydrophobicContact CG1-CE 3.78Å; V437-F477 HydrophobicContact CB-CD1 4.44Å; V437-F477 HydrophobicContact CB-CG 4.47Å; V437-F477 HydrophobicContact CG1-CB 4.49Å; V437-F477 HydrophobicContact CG1-CD1 4.18Å; V437-F477 HydrophobicContact CG1-CD2 3.53Å; V437-F477 HydrophobicContact CG1-CE1 4.27Å; V437-F477 HydrophobicContact CG1-CE2 3.64Å; V437-F477 HydrophobicContact CG1-CG 3.82Å; V437-F477 HydrophobicContact CG1-CZ 4.02Å |
| 438 | A | 94.6 | Very high | 96.7 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | trans | -141.3 | 152.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L436 D478 | L436-A438 PolarHBondContact O-N 2.68Å; A438-D478 WeakPolarHBondContact CB-O 3.43Å | ||
| 439 | G | 95.1 | Very high | 96.3 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 19% | 0.186 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.4 | -161.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F477 | G439-F477 PolarHBondContact N-O 3.41Å; G439-F477 PolarHBondContact O-N 2.78Å |
| 440 | K | 96.8 | Very high | 95.5 | Very high | 158 Ų | 158 | 51.3 Ų | 51.3 | 69% | 0.687 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 139.2 | -173.5 | -67.5 | -173.8 | 178.7 | -175.6 | 0 | 112.3 | L475 E476 | K440-L475 CarbonylContact C-O 3.56Å; K440-L475 WeakPolarHBondContact CA-O 3.34Å; K440-E476 HydrophobicContact CG-CB 4.22Å; K440-E476 HydrophobicContact CG-CG 4.37Å |
| 441 | M | 97.1 | Very high | 94.5 | Very high | 61 Ų | 61 | 54 Ų | 54 | 30% | 0.3 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 137 | 176 | -177.4 | 176.9 | -79.9 | 0 | 0 | 110.1 | I427 V437 L475 F477 | I427-M441 HydrophobicContact CD1-SD 3.55Å; I427-M441 VanDerWaalsContact CD1-SD 3.55Å; I427-M441 HydrophobicContact CG1-SD 4.02Å; I427-M441 HydrophobicContact CG2-CE 4.37Å; I427-M441 HydrophobicContact CG2-SD 4.06Å; V437-M441 HydrophobicContact CG1-CE 3.78Å; M441-L475 PolarHBondContact N-O 3.1Å; M441-L475 PolarHBondContact O-N 3Å; M441-F477 HydrophobicContact CB-CD2 4.5Å; M441-F477 HydrophobicContact CB-CE2 4.16Å; M441-F477 HydrophobicContact SD-CE2 4.12Å |
| 442 | A | 97.8 | Very high | 93.9 | Very high | 59 Ų | 59 | 53 Ų | 53 | 49% | 0.488 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 443 | L | 98.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 107.1 | -177.9 | -174.9 | 73.4 | 0 | 0 | 0 | 110 | L404 I427 L445 C472 L473 L475 | L404-L443 HydrophobicContact CD1-CD2 4.02Å; L404-L443 HydrophobicContact CD2-CD2 4.35Å; L404-L443 HydrophobicContact CG-CD2 4.41Å; I427-L443 HydrophobicContact CD1-CD1 4.19Å; I427-L443 HydrophobicContact CD1-CD2 3.79Å; I427-L443 HydrophobicContact CD1-CG 4.4Å; I427-L443 HydrophobicContact CG1-CD1 3.94Å; I427-L443 HydrophobicContact CG1-CD2 4.05Å; L443-L445 HydrophobicContact CD2-CD2 3.73Å; L443-L445 HydrophobicContact CG-CD2 4.06Å; L443-L445 PolarHBondContact O-N 3.44Å; L443-C472 CarbonylContact O-C 3.6Å; L443-C472 WeakPolarHBondContact O-CA 3.25Å; L443-L473 PolarHBondContact N-O 2.68Å; L443-L473 PolarHBondContact O-N 3Å; L443-L475 HydrophobicContact CB-CD1 4.3Å; L443-L475 HydrophobicContact CD2-CD1 4.45Å |
| 444 | N | 98.4 | Very high | 93.3 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 124.5 | 168 | -73.9 | 88.6 | 0 | 0 | 0 | 109.3 | S464 N465 K468 T470 | N444-S464 WeakPolarHBondContact CB-OG 3.5Å; N444-S464 PolarHBondContact N-OG 2.86Å; N444-N465 HydrophobicContact CB-CB 3.97Å; N444-N465 WeakPolarHBondContact CB-O 3.42Å; N444-N465 VanDerWaalsContact O-CB 3.3Å; N444-N465 WeakPolarHBondContact O-CB 3.22Å; N444-N465 PolarHBondContact O-N 3.41Å; N444-K468 PolarHBondContact ND2-O 3.37Å; N444-T470 WeakPolarHBondContact CB-OG1 3.47Å; N444-T470 PolarHBondContact ND2-O 2.95Å; N444-T470 PolarHBondContact ND2-OG1 3.35Å |
| 445 | L | 98.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 157.9 | -173.2 | -57.2 | -179.6 | 0 | 0 | 0 | 112.2 | L404 I406 A423 W424 L443 N465 T470 P471 L473 | L404-L445 HydrophobicContact CD1-CD2 3.75Å; I406-L445 HydrophobicContact CD1-CD1 3.53Å; I406-L445 HydrophobicContact CG1-CD1 3.69Å; A423-L445 HydrophobicContact CB-CB 3.71Å; A423-L445 HydrophobicContact CB-CD1 3.88Å; A423-L445 HydrophobicContact CB-CG 4.47Å; W424-L445 WeakPolarHBondContact O-CA 3.09Å; W424-L445 WeakPolarHBondContact O-CB 3.36Å; L443-L445 HydrophobicContact CD2-CD2 3.73Å; L443-L445 HydrophobicContact CG-CD2 4.06Å; L443-L445 PolarHBondContact O-N 3.44Å; L445-N465 PolarHBondContact O-ND2 3.16Å; L445-T470 PolarHBondContact O-OG1 3.48Å; L445-P471 WeakPolarHBondContact CB-O 3.44Å; L445-P471 HydrophobicContact CD1-CB 4.45Å; L445-P471 WeakPolarHBondContact CG-O 3.42Å; L445-P471 PolarHBondContact N-O 3.35Å; L445-L473 HydrophobicContact CD1-CB 4.3Å; L445-L473 HydrophobicContact CD2-CB 4.3Å; L445-L473 HydrophobicContact CG-CB 4.38Å |
| 446 | W | 97.5 | Very high | 93.4 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 8% | 0.076 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 148.1 | 176.5 | -62.9 | 96.6 | 0 | 0 | 0 | 111.2 | A423 W424 V461 G463 N465 P466 K678 T679 | A423-W446 VanDerWaalsContact CA-O 3.31Å; A423-W446 WeakPolarHBondContact CA-O 3.45Å; W424-W446 HydrophobicContact CD2-CB 4.04Å; W424-W446 VanDerWaalsContact CE2-CB 3.48Å; W424-W446 HydrophobicContact CG-CB 4.42Å; W424-W446 HydrophobicContact CH2-CB 4.32Å; W424-W446 HydrophobicContact CH2-CG 4.18Å; W424-W446 HydrophobicContact CZ2-CB 3.66Å; W424-W446 AromaticContact CZ2-CG 3.95Å; W424-W446 HydrophobicContact CZ2-CG 3.95Å; W424-W446 PolarHBondContact N-O 3.28Å; W424-W446 PolarHBondContact O-N 3.49Å; W446-V461 HydrophobicContact CZ2-CG1 3.99Å; W446-G463 PolarHBondContact NE1-O 3.34Å; W446-N465 HydrophobicContact CD2-CB 3.95Å; W446-N465 HydrophobicContact CE3-CB 4.21Å; W446-N465 HydrophobicContact CG-CB 4.43Å; W446-N465 HydrophobicContact CH2-CB 4.43Å; W446-N465 HydrophobicContact CZ2-CB 4.19Å; W446-N465 HydrophobicContact CZ3-CB 4.43Å; W446-P466 VanDerWaalsContact CH2-CD 3.45Å; W446-P466 HydrophobicContact CH2-CG 4.39Å; W446-K678 HydrophobicContact CH2-CB 4.41Å; W446-K678 HydrophobicContact CZ3-CB 4.1Å; W446-T679 HydrophobicContact CE3-CG2 3.99Å; W446-T679 HydrophobicContact CH2-CG2 3.95Å; W446-T679 HydrophobicContact CZ2-CG2 4.49Å; W446-T679 HydrophobicContact CZ3-CG2 3.67Å |
| 447 | P | 96.2 | Very high | 93.3 | Very high | 93 Ų | 93 | 58.8 Ų | 58.8 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 149.4 | 169.6 | 29.7 | -34.4 | 0 | 0 | 0 | 110.9 | W424 | W424-P447 PolarHBondContact NE1-O 2.73Å |
| 448 | V | 93.9 | Very high | 93.2 | Very high | 43 Ų | 43 | 58.7 Ų | 58.7 | 26% | 0.261 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 128.4 | 177.1 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | P421 L452 | P421-V448 HydrophobicContact CB-CG2 3.91Å; P421-V448 HydrophobicContact CG-CG1 3.97Å; P421-V448 HydrophobicContact CG-CG2 4.04Å; V448-L452 HydrophobicContact CG1-CB 4.2Å; V448-L452 HydrophobicContact CG1-CD2 4.34Å |
| 449 | P | 89.3 | Confident | 93.1 | Very high | 53 Ų | 53 | 58.3 Ų | 58.3 | 34% | 0.344 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 149.3 | 175.7 | -22.8 | 34.1 | 0 | 0 | 0 | 112.6 | G451 L452 | P449-G451 PolarHBondContact O-N 2.8Å; P449-L452 HydrophobicContact CB-CB 4.35Å; P449-L452 HydrophobicContact CG-CD2 4.37Å; P449-L452 PolarHBondContact O-N 2.95Å |
| 450 | H | 82.1 | Confident | 93 | Very high | 171 Ų | 171 | 58 Ų | 58 | 79% | 0.792 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 120.2 | 177.3 | -178.9 | 73.5 | 0 | 0 | 0 | 110.8 | Q1014 | H450-Q1014 VanDerWaalsContact O-CD 3.28Å; H450-Q1014 PolarHBondContact O-NE2 3.46Å; H450-Q1014 PolarHBondContact O-OE1 3.21Å |
| 451 | G | 77.3 | Confident | 92.9 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 58% | 0.577 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.7 | -10.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P449 E453 | P449-G451 PolarHBondContact O-N 2.8Å; G451-E453 PolarHBondContact O-N 2.83Å |
| 452 | L | 83.9 | Confident | 92.8 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | trans | -77.9 | 108.9 | 174.2 | -172.6 | 71.9 | 0 | 0 | 0 | 110.6 | V448 P449 D454 N457 | V448-L452 HydrophobicContact CG1-CB 4.2Å; V448-L452 HydrophobicContact CG1-CD2 4.34Å; P449-L452 HydrophobicContact CB-CB 4.35Å; P449-L452 HydrophobicContact CG-CD2 4.37Å; P449-L452 PolarHBondContact O-N 2.95Å; L452-D454 HydrophobicContact CD1-CB 4.16Å; L452-N457 HydrophobicContact CD2-CB 3.73Å | ||
| 453 | E | 86.3 | Confident | 92.7 | Very high | 177 Ų | 177 | 49.1 Ų | 49.1 | 83% | 0.827 | 29% | 0.285 | S | S | * | . | trans | -92.5 | -20.7 | 175.4 | -63.1 | -171.8 | 175.3 | 0 | 0 | 112.8 | G451 | G451-E453 PolarHBondContact O-N 2.83Š| ||
| 454 | D | 91.1 | Very high | 92.6 | Very high | 113 Ų | 113 | 51.6 Ų | 51.6 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -63.2 | 143.4 | 179.1 | -70.6 | -38.6 | 0 | 0 | 0 | 112.6 | L452 L456 | L452-D454 HydrophobicContact CD1-CB 4.16Å; D454-L456 VanDerWaalsContact C-N 3.28Å; D454-L456 PolarHBondContact O-N 2.76Å |
| 455 | L | 96.4 | Very high | 92.5 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -72.8 | -20 | -177.1 | -60.2 | -176.7 | 0 | 0 | 0 | 113.3 | S405 H419 | S405-L455 VanDerWaalsContact CB-O 3.25Å; S405-L455 WeakPolarHBondContact CB-O 3.38Å; S405-L455 PolarHBondContact OG-O 3.35Å; H419-L455 HydrophobicContact CB-CD1 4.2Å; H419-L455 HydrophobicContact CB-CD2 3.9Å |
| 456 | L | 97.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | trans | -126.2 | 155 | 175.8 | -69.1 | 179.1 | 0 | 0 | 0 | 109.5 | R357 Y361 N370 D454 P458 | R357-L456 HydrophobicContact CB-CD2 4.32Å; R357-L456 HydrophobicContact CG-CD1 4.16Å; R357-L456 HydrophobicContact CG-CD2 4.05Å; R357-L456 HydrophobicContact CG-CG 4.02Å; Y361-L456 HydrophobicContact CE2-CD1 3.8Å; N370-L456 WeakPolarHBondContact OD1-CD1 3.21Å; D454-L456 VanDerWaalsContact C-N 3.28Å; D454-L456 PolarHBondContact O-N 2.76Å; L456-P458 WeakPolarHBondContact O-CD 3.4Å | ||
| 457 | N | 95.6 | Very high | 91.9 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 10% | 0.102 | 34% | 0.342 | C | S | . | . | trans | -123.3 | 73.6 | 179.1 | -174 | 9.6 | 0 | 0 | 0 | 111.6 | W424 N426 L452 I459 G460 | W424-N457 HydrophobicContact CD2-CB 3.87Å; W424-N457 HydrophobicContact CE3-CB 3.95Å; W424-N457 HydrophobicContact CG-CB 4.14Å; W424-N457 WeakPolarHBondContact CZ2-ND2 3.34Å; N426-N457 PolarHBondContact ND2-O 3.39Å; L452-N457 HydrophobicContact CD2-CB 3.73Å; N457-I459 VanDerWaalsContact C-N 3.27Å; N457-I459 PolarHBondContact O-N 2.97Å; N457-G460 PolarHBondContact O-N 2.88Å; N457-G460 PolarHBondContact OD1-N 3.24Å | ||
| 458 | P | 95.1 | Very high | 91.7 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -24.2 | -176.9 | 27.7 | -34.6 | 0 | 0 | 0 | 113.4 | Y361 R401 L456 G460 | Y361-P458 HydrophobicContact CD1-CB 3.7Å; Y361-P458 HydrophobicContact CD1-CG 4.15Å; Y361-P458 HydrophobicContact CE1-CB 4.04Å; Y361-P458 HydrophobicContact CE1-CG 4.02Å; Y361-P458 HydrophobicContact CG-CB 3.97Å; R401-P458 VanDerWaalsContact CZ-O 3.25Å; R401-P458 PolarHBondContact NH1-O 2.83Å; R401-P458 PolarHBondContact NH2-O 3.3Å; L456-P458 WeakPolarHBondContact O-CD 3.4Å; P458-G460 VanDerWaalsContact C-N 3.27Å |
| 459 | I | 92.3 | Very high | 91.6 | Very high | 44 Ų | 44 | 66.8 Ų | 66.8 | 23% | 0.226 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -24.7 | 176.2 | -59.5 | 173.9 | 0 | 0 | 0 | 111.1 | N457 C604 Y641 | N457-I459 VanDerWaalsContact C-N 3.27Å; N457-I459 PolarHBondContact O-N 2.97Å; I459-C604 HydrophobicContact CG2-CB 4.49Å; I459-Y641 HydrophobicContact CG2-CE1 4.16Å |
| 460 | G | 92.9 | Very high | 92 | Very high | 11 Ų | 11 | 65 Ų | 65 | 11% | 0.113 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -59.8 | 154.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N426 N457 P458 | N426-G460 PolarHBondContact ND2-O 3.12Å; N457-G460 PolarHBondContact O-N 2.88Å; N457-G460 PolarHBondContact OD1-N 3.24Å; P458-G460 VanDerWaalsContact C-N 3.27Å |
| 461 | V | 94.5 | Very high | 92.7 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 149.2 | 179.5 | 75.2 | 0 | 0 | 0 | 0 | 112.3 | W424 W446 T679 | W424-V461 HydrophobicContact CH2-CG1 4.28Å; W424-V461 WeakPolarHBondContact CZ3-O 3.49Å; W446-V461 HydrophobicContact CZ2-CG1 3.99Å; V461-T679 HydrophobicContact CG1-CG2 3.97Å |
| 462 | T | 95.2 | Very high | 93.7 | Very high | 31 Ų | 31 | 55.9 Ų | 55.9 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -88 | 155.5 | 171.7 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | R401 N426 | R401-T462 HydrophobicContact CG-CG2 4.4Å; N426-T462 HydrophobicContact CB-CG2 4.07Å; N426-T462 CarbonylContact O-C 3.55Å; N426-T462 WeakPolarHBondContact O-CA 3.14Å |
| 463 | G | 94.4 | Very high | 94.4 | Very high | 32 Ų | 32 | 54 Ų | 54 | 33% | 0.33 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 101 | 166.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N426 W446 | N426-G463 PolarHBondContact O-N 2.95Å; W446-G463 PolarHBondContact NE1-O 3.34Å |
| 464 | S | 95.8 | Very high | 95 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | trans | -73.7 | 141.7 | -178.1 | -173 | 0 | 0 | 0 | 0 | 111.4 | N444 | N444-S464 WeakPolarHBondContact CB-OG 3.5Å; N444-S464 PolarHBondContact N-OG 2.86Å | ||
| 465 | N | 96.5 | Very high | 95.3 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.059 | 25% | 0.245 | C | C | . | . | trans | -59.5 | 128.6 | 171 | -171.4 | -22.9 | 0 | 0 | 0 | 109.9 | N444 L445 W446 N467 | N444-N465 HydrophobicContact CB-CB 3.97Å; N444-N465 WeakPolarHBondContact CB-O 3.42Å; N444-N465 VanDerWaalsContact O-CB 3.3Å; N444-N465 WeakPolarHBondContact O-CB 3.22Å; N444-N465 PolarHBondContact O-N 3.41Å; L445-N465 PolarHBondContact O-ND2 3.16Å; W446-N465 HydrophobicContact CD2-CB 3.95Å; W446-N465 HydrophobicContact CE3-CB 4.21Å; W446-N465 HydrophobicContact CG-CB 4.43Å; W446-N465 HydrophobicContact CH2-CB 4.43Å; W446-N465 HydrophobicContact CZ2-CB 4.19Å; W446-N465 HydrophobicContact CZ3-CB 4.43Å; N465-N467 PolarHBondContact O-N 3.45Å; N465-N467 WeakPolarHBondContact OD1-CB 3.43Å; N465-N467 PolarHBondContact OD1-N 2.91Å | ||
| 466 | P | 91.9 | Very high | 95.4 | Very high | 81 Ų | 81 | 44.2 Ų | 44.2 | 53% | 0.526 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -66.9 | -19.7 | 178.2 | 26.5 | -35.2 | 0 | 0 | 0 | 113 | W446 K468 K678 | W446-P466 VanDerWaalsContact CH2-CD 3.45Å; W446-P466 HydrophobicContact CH2-CG 4.39Å; P466-K468 PolarHBondContact O-N 3.39Å; P466-K678 HydrophobicContact CG-CB 4.32Å |
| 467 | N | 91.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 44.1 Ų | 44.1 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | trans | -76.6 | 113.5 | 171.3 | -175.9 | 9.8 | 0 | 0 | 0 | 110.2 | N465 E469 T470 | N465-N467 PolarHBondContact O-N 3.45Å; N465-N467 WeakPolarHBondContact OD1-CB 3.43Å; N465-N467 PolarHBondContact OD1-N 2.91Å; N467-E469 VanDerWaalsContact C-N 3.31Å; N467-E469 WeakPolarHBondContact OD1-CB 3.42Å; N467-E469 PolarHBondContact OD1-N 2.73Å; N467-T470 HydrophobicContact CB-CG2 3.95Å; N467-T470 PolarHBondContact O-OG1 3.11Å; N467-T470 VanDerWaalsContact O-OG1 3.13Å | ||
| 468 | K | 91.7 | Very high | 95.3 | Very high | 169 Ų | 169 | 44.9 Ų | 44.9 | 74% | 0.735 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -77.7 | -16.3 | -180 | -63.3 | -172.4 | 179.4 | -176.5 | 0 | 113.7 | N444 P466 T470 | N444-K468 PolarHBondContact ND2-O 3.37Å; P466-K468 PolarHBondContact O-N 3.39Å; K468-T470 PolarHBondContact O-N 2.94Å; K468-T470 VanDerWaalsContact O-N 3.11Å |
| 469 | E | 93.2 | Very high | 95.1 | Very high | 154 Ų | 154 | 50.7 Ų | 50.7 | 72% | 0.72 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -84.8 | 39.3 | 176.7 | -55.7 | -57.5 | 140 | 0 | 0 | 111.6 | Y343 N467 | Y343-E469 VanDerWaalsContact OH-C 3.27Å; Y343-E469 PolarHBondContact OH-O 3.36Å; N467-E469 VanDerWaalsContact C-N 3.31Å; N467-E469 WeakPolarHBondContact OD1-CB 3.42Å; N467-E469 PolarHBondContact OD1-N 2.73Å |
| 470 | T | 96.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 50.6 Ų | 50.6 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -124.2 | 162.7 | 176.7 | 68.5 | 0 | 0 | 0 | 0 | 110.4 | Y343 N444 L445 N467 K468 C472 | Y343-T470 VanDerWaalsContact OH-C 3.24Å; Y343-T470 WeakPolarHBondContact OH-CA 3.14Å; Y343-T470 PolarHBondContact OH-N 3.4Å; N444-T470 WeakPolarHBondContact CB-OG1 3.47Å; N444-T470 PolarHBondContact ND2-O 2.95Å; N444-T470 PolarHBondContact ND2-OG1 3.35Å; L445-T470 PolarHBondContact O-OG1 3.48Å; N467-T470 HydrophobicContact CB-CG2 3.95Å; N467-T470 PolarHBondContact O-OG1 3.11Å; N467-T470 VanDerWaalsContact O-OG1 3.13Å; K468-T470 PolarHBondContact O-N 2.94Å; K468-T470 VanDerWaalsContact O-N 3.11Å; T470-C472 PolarHBondContact O-N 2.7Å |
| 471 | P | 97.3 | Very high | 94.5 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | trans | -50.8 | 119.4 | 172 | -29.6 | 38.2 | 0 | 0 | 0 | 110.6 | Y343 L445 | Y343-P471 HydrophobicContact CE2-CG 4.13Å; Y343-P471 WeakPolarHBondContact O-CB 3.49Å; L445-P471 WeakPolarHBondContact CB-O 3.44Å; L445-P471 HydrophobicContact CD1-CB 4.45Å; L445-P471 WeakPolarHBondContact CG-O 3.42Å; L445-P471 PolarHBondContact N-O 3.35Å | ||
| 472 | C | 98.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 11% | 0.108 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.7 | 179 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | A341 T342 L443 T470 | A341-C472 CarbonylContact C-O 3.59Å; A341-C472 VanDerWaalsContact CA-O 3.25Å; A341-C472 WeakPolarHBondContact CA-O 3.45Å; T342-C472 HydrophobicContact CG2-CB 3.83Å; T342-C472 PolarHBondContact N-O 2.63Å; T342-C472 PolarHBondContact OG1-N 3.44Å; L443-C472 CarbonylContact O-C 3.6Å; L443-C472 WeakPolarHBondContact O-CA 3.25Å; T470-C472 PolarHBondContact O-N 2.7Å |
| 473 | L | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.2 | 177.5 | -174.1 | 67.4 | 0 | 0 | 0 | 109.4 | I338 A341 V356 W383 L404 L443 L445 L475 | I338-L473 HydrophobicContact CG2-CD1 4.08Å; A341-L473 HydrophobicContact CB-CD1 4.13Å; V356-L473 HydrophobicContact CG1-CD2 4.08Å; V356-L473 HydrophobicContact CG2-CD1 4.09Å; W383-L473 HydrophobicContact CZ3-CD1 4.03Å; L404-L473 HydrophobicContact CD1-CD2 3.6Å; L404-L473 HydrophobicContact CD2-CD2 3.91Å; L404-L473 HydrophobicContact CG-CD2 4.39Å; L443-L473 PolarHBondContact N-O 2.68Å; L443-L473 PolarHBondContact O-N 3Å; L445-L473 HydrophobicContact CD1-CB 4.3Å; L445-L473 HydrophobicContact CD2-CB 4.3Å; L445-L473 HydrophobicContact CG-CB 4.38Å; L473-L475 HydrophobicContact CD2-CD2 3.85Å; L473-L475 HydrophobicContact CD2-CG 4.42Å; L473-L475 HydrophobicContact CG-CD2 4.06Å; L473-L475 HydrophobicContact CG-CG 4.32Å |
| 474 | E | 98.5 | Very high | 94.2 | Very high | 83 Ų | 83 | 54 Ų | 54 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 130.8 | 172.8 | -68.1 | -173.2 | -162.2 | 0 | 0 | 110.6 | L339 C340 | L339-E474 HydrophobicContact CB-CB 4.03Å; L339-E474 WeakPolarHBondContact CB-O 3.36Å; L339-E474 HydrophobicContact CD1-CB 4.12Å; L339-E474 PolarHBondContact N-O 3.18Å; C340-E474 PolarHBondContact O-N 3.35Å |
| 475 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154.3 | -175.3 | -57.1 | 161.3 | 0 | 0 | 0 | 109.2 | R337 I338 L404 I427 K440 M441 L443 L473 F477 | R337-L475 CarbonylContact O-C 3.55Å; R337-L475 WeakPolarHBondContact O-CA 3.4Å; I338-L475 HydrophobicContact CD1-CD2 3.26Å; L404-L475 HydrophobicContact CD2-CD1 3.88Å; L404-L475 HydrophobicContact CD2-CD2 4Å; I427-L475 HydrophobicContact CD1-CD1 3.51Å; K440-L475 CarbonylContact C-O 3.56Å; K440-L475 WeakPolarHBondContact CA-O 3.34Å; M441-L475 PolarHBondContact N-O 3.1Å; M441-L475 PolarHBondContact O-N 3Å; L443-L475 HydrophobicContact CB-CD1 4.3Å; L443-L475 HydrophobicContact CD2-CD1 4.45Å; L473-L475 HydrophobicContact CD2-CD2 3.85Å; L473-L475 HydrophobicContact CD2-CG 4.42Å; L473-L475 HydrophobicContact CG-CD2 4.06Å; L473-L475 HydrophobicContact CG-CG 4.32Å; L475-F477 HydrophobicContact CB-CE2 4.45Å |
| 476 | E | 98.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 55.3 Ų | 55.3 | 20% | 0.201 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 114.7 | 171.4 | 169.3 | 175.5 | -133.1 | 0 | 0 | 109.3 | R337 L339 W386 K440 | R337-E476 HydrophobicContact CB-CB 4.02Å; R337-E476 WeakPolarHBondContact CB-O 3.48Å; R337-E476 WeakPolarHBondContact CD-OE2 3.36Å; R337-E476 IonicContact CZ-OE2 3.82Å; R337-E476 PolarHBondContact N-O 3.15Å; R337-E476 IonicContact NE-OE2 2.79Å; R337-E476 IonicContact NH1-OE2 3.89Å; R337-E476 PolarHBondContact NH1-OE2 3.45Å; R337-E476 PolarHBondContact O-N 3.31Å; L339-E476 HydrophobicContact CD1-CB 4.2Å; L339-E476 HydrophobicContact CG-CB 4.46Å; W386-E476 HydrophobicContact CH2-CG 4.39Å; W386-E476 HydrophobicContact CZ2-CG 4.48Å; K440-E476 HydrophobicContact CG-CB 4.22Å; K440-E476 HydrophobicContact CG-CG 4.37Å |
| 477 | F | 97.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.035 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 155.3 | 173.2 | -67.1 | -95.2 | 0 | 0 | 0 | 110 | I336 L402 I427 L429 V437 G439 M441 L475 | I336-F477 HydrophobicContact CD1-CD1 4.17Å; I336-F477 HydrophobicContact CD1-CE1 3.79Å; I336-F477 HydrophobicContact CG1-CD1 4.06Å; I336-F477 HydrophobicContact CG1-CE1 4.18Å; I336-F477 HydrophobicContact CG2-CD1 4.32Å; I336-F477 HydrophobicContact CG2-CE1 4.26Å; L402-F477 HydrophobicContact CD2-CE1 4.27Å; L402-F477 HydrophobicContact CD2-CZ 4.01Å; I427-F477 HydrophobicContact CD1-CZ 4.21Å; I427-F477 HydrophobicContact CG2-CZ 4.25Å; L429-F477 HydrophobicContact CD2-CE1 3.98Å; V437-F477 HydrophobicContact CB-CD1 4.44Å; V437-F477 HydrophobicContact CB-CG 4.47Å; V437-F477 HydrophobicContact CG1-CB 4.49Å; V437-F477 HydrophobicContact CG1-CD1 4.18Å; V437-F477 HydrophobicContact CG1-CD2 3.53Å; V437-F477 HydrophobicContact CG1-CE1 4.27Å; V437-F477 HydrophobicContact CG1-CE2 3.64Å; V437-F477 HydrophobicContact CG1-CG 3.82Å; V437-F477 HydrophobicContact CG1-CZ 4.02Å; G439-F477 PolarHBondContact N-O 3.41Å; G439-F477 PolarHBondContact O-N 2.78Å; M441-F477 HydrophobicContact CB-CD2 4.5Å; M441-F477 HydrophobicContact CB-CE2 4.16Å; M441-F477 HydrophobicContact SD-CE2 4.12Å; L475-F477 HydrophobicContact CB-CE2 4.45Å |
| 478 | D | 93.9 | Very high | 94.6 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 19% | 0.193 | 27% | 0.272 | C | S | . | . | trans | -57.6 | 147.5 | 178.6 | -146 | -5.3 | 0 | 0 | 0 | 111.8 | R335 A438 F480 | R335-D478 HydrophobicContact CG-CB 4.47Å; R335-D478 IonicContact CZ-OD1 2.65Å; R335-D478 IonicContact CZ-OD2 3.59Å; R335-D478 VanDerWaalsContact NE-CG 3.35Å; R335-D478 IonicContact NE-OD1 3.21Å; R335-D478 IonicContact NE-OD2 3.4Å; R335-D478 PolarHBondContact NE-OD2 2.78Å; R335-D478 IonicContact NH2-OD1 3.73Å; R335-D478 PolarHBondContact NH2-OD1 3.46Å; R335-D478 IonicContact NH2-OD2 3.53Å; R335-D478 PolarHBondContact NH2-OD2 3.45Å; A438-D478 WeakPolarHBondContact CB-O 3.43Å; D478-F480 HydrophobicContact CB-CE2 4.38Å; D478-F480 HydrophobicContact CB-CZ 4.15Å | ||
| 479 | H | 89 | Confident | 94.7 | Very high | 145 Ų | 145 | 48.1 Ų | 48.1 | 67% | 0.671 | 25% | 0.251 | S | S | * | . | trans | -112 | 127.6 | -178.3 | -170.3 | 79.5 | 0 | 0 | 0 | 110.3 | ||||
| 480 | F | 87.7 | Confident | 94.8 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 18% | 0.18 | 24% | 0.241 | C | C | . | . | trans | -107.4 | 158.3 | 178.3 | -55.8 | -75.7 | 0 | 0 | 0 | 110.5 | I330 L436 D478 C482 V484 | I330-F480 HydrophobicContact CD1-CD1 4.07Å; I330-F480 HydrophobicContact CD1-CE1 4.43Å; I330-F480 HydrophobicContact CD1-CG 4.49Å; I330-F480 HydrophobicContact CG2-CD1 4.13Å; I330-F480 HydrophobicContact CG2-CE1 3.43Å; I330-F480 VanDerWaalsContact CG2-CE1 3.43Å; I330-F480 HydrophobicContact CG2-CZ 3.92Å; L436-F480 HydrophobicContact CD2-CE2 3.77Å; L436-F480 HydrophobicContact CD2-CZ 4.46Å; D478-F480 HydrophobicContact CB-CE2 4.38Å; D478-F480 HydrophobicContact CB-CZ 4.15Å; F480-C482 PolarHBondContact O-N 3.49Å; F480-V484 HydrophobicContact CB-CG2 3.82Å; F480-V484 HydrophobicContact CD2-CB 4.49Å; F480-V484 HydrophobicContact CD2-CG2 3.56Å; F480-V484 HydrophobicContact CE2-CG2 4.29Å; F480-V484 HydrophobicContact CG-CG2 3.7Å | ||
| 481 | S | 86.6 | Confident | 94.7 | Very high | 99 Ų | 99 | 47.1 Ų | 47.1 | 69% | 0.692 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -55.2 | -21.1 | -178.7 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | K325 | K325-S481 PolarHBondContact NZ-OG 3.25Š|
| 482 | C | 88.9 | Confident | 94.7 | Very high | 25 Ų | 25 | 46.5 Ų | 46.5 | 17% | 0.169 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -155.9 | 163.4 | 179.5 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | A323 K325 F480 V484 | A323-C482 WeakPolarHBondContact O-CB 3.45Å; K325-C482 WeakPolarHBondContact CD-SG 3.49Å; K325-C482 WeakPolarHBondContact CG-SG 3.41Å; F480-C482 PolarHBondContact O-N 3.49Å; C482-V484 PolarHBondContact O-N 2.96Å |
| 483 | P | 92.7 | Very high | 94.5 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 31% | 0.312 | 26% | 0.256 | S | S | . | . | trans | -55.6 | 136.3 | 175.6 | -23.7 | 33.9 | 0 | 0 | 0 | 111.8 | T324 K325 T435 | T324-P483 WeakPolarHBondContact CA-O 3.42Å; T324-P483 HydrophobicContact CG2-CB 4.39Å; K325-P483 PolarHBondContact N-O 3.43Å; T435-P483 HydrophobicContact CG2-CB 4.12Å | ||
| 484 | V | 95.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.6 | 179.7 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | K325 L327 I330 T435 L436 F480 C482 | K325-V484 CarbonylContact O-C 3.5Å; K325-V484 VanDerWaalsContact O-CA 3.31Å; K325-V484 WeakPolarHBondContact O-CA 3.25Å; L327-V484 HydrophobicContact CB-CG1 4.1Å; L327-V484 HydrophobicContact CD1-CG1 3.95Å; I330-V484 HydrophobicContact CD1-CG2 3.89Å; I330-V484 HydrophobicContact CG1-CG1 3.95Å; I330-V484 HydrophobicContact CG1-CG2 4.07Å; T435-V484 CarbonylContact C-O 3.55Å; T435-V484 WeakPolarHBondContact CA-O 3.46Å; L436-V484 HydrophobicContact CB-CB 4.11Å; L436-V484 HydrophobicContact CB-CG1 4.31Å; L436-V484 HydrophobicContact CD2-CB 4.33Å; L436-V484 HydrophobicContact CD2-CG1 4.24Å; L436-V484 PolarHBondContact N-O 3.15Å; F480-V484 HydrophobicContact CB-CG2 3.82Å; F480-V484 HydrophobicContact CD2-CB 4.49Å; F480-V484 HydrophobicContact CD2-CG2 3.56Å; F480-V484 HydrophobicContact CE2-CG2 4.29Å; F480-V484 HydrophobicContact CG-CG2 3.7Å; C482-V484 PolarHBondContact O-N 2.96Å |
| 485 | K | 96.3 | Very high | 94.1 | Very high | 75 Ų | 75 | 50.4 Ų | 50.4 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 148.6 | 179.1 | -71.7 | -165 | 169.8 | -162 | 0 | 112.3 | T324 K325 L327 H434 | T324-K485 HydrophobicContact CG2-CD 4.49Å; K325-K485 PolarHBondContact O-N 3.32Å; L327-K485 WeakPolarHBondContact CB-O 3.49Å; L327-K485 PolarHBondContact N-O 2.78Å; H434-K485 CarbonylContact O-C 3.49Å; H434-K485 VanDerWaalsContact O-CA 3.28Å; H434-K485 WeakPolarHBondContact O-CA 3.07Å |
| 486 | F | 97.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -59 | 142.2 | 168.3 | -162.9 | -95.7 | 0 | 0 | 0 | 109.8 | L327 R398 F430 H434 I492 | L327-F486 HydrophobicContact CD2-CD2 4.03Å; L327-F486 HydrophobicContact CD2-CE2 4.32Å; R398-F486 HydrophobicContact CB-CD1 4.34Å; R398-F486 HydrophobicContact CB-CD2 4.18Å; R398-F486 HydrophobicContact CB-CE1 3.93Å; R398-F486 HydrophobicContact CB-CE2 3.79Å; R398-F486 HydrophobicContact CB-CG 4.46Å; R398-F486 HydrophobicContact CB-CZ 3.65Å; R398-F486 HydrophobicContact CG-CD1 4.44Å; R398-F486 HydrophobicContact CG-CE1 4.43Å; F430-F486 HydrophobicContact CD1-CB 4.32Å; F430-F486 HydrophobicContact CE1-CB 4.17Å; F430-F486 HydrophobicContact CE1-CD2 4.1Å; F430-F486 HydrophobicContact CE2-CD2 4.11Å; F430-F486 AromaticContact CZ-CD2 3.81Å; F430-F486 HydrophobicContact CZ-CD2 3.81Å; H434-F486 HydrophobicContact CB-CB 4.16Å; H434-F486 PolarHBondContact O-N 3.34Å; F486-I492 HydrophobicContact CE1-CD1 3.8Å |
| 487 | P | 96.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 5% | 0.045 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -60 | 145.1 | 179.2 | 25.2 | -37.1 | 0 | 0 | 0 | 112.5 | W328 M491 I492 | W328-P487 HydrophobicContact CD2-CB 4.21Å; W328-P487 HydrophobicContact CD2-CG 3.88Å; W328-P487 HydrophobicContact CE3-CB 4.14Å; W328-P487 HydrophobicContact CE3-CG 4.23Å; W328-P487 HydrophobicContact CG-CG 4.43Å; W328-P487 HydrophobicContact CH2-CG 4.2Å; W328-P487 HydrophobicContact CZ2-CG 3.82Å; W328-P487 HydrophobicContact CZ3-CB 4.31Å; W328-P487 HydrophobicContact CZ3-CG 4.36Å; P487-M491 HydrophobicContact CB-CB 4.17Å; P487-M491 HydrophobicContact CB-SD 4.37Å; P487-I492 HydrophobicContact CB-CG1 4.04Å; P487-I492 HydrophobicContact CG-CD1 4.15Å; P487-I492 HydrophobicContact CG-CG1 3.9Å |
| 488 | D | 94.6 | Very high | 93.2 | Very high | 114 Ų | 114 | 56.6 Ų | 56.6 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 157.9 | 171.8 | -62.3 | -35.5 | 0 | 0 | 0 | 110.9 | S490 M491 I492 | D488-S490 PolarHBondContact O-N 3.46Å; D488-S490 VanDerWaalsContact O-N 3.12Å; D488-M491 WeakPolarHBondContact O-CB 3.33Å; D488-M491 PolarHBondContact O-N 3.4Å; D488-I492 PolarHBondContact O-N 3.36Å |
| 489 | M | 93.3 | Very high | 92.9 | Very high | 60 Ų | 60 | 55 Ų | 55 | 30% | 0.296 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.8 | -33.8 | -176.5 | -78.1 | -58.5 | -60.1 | 0 | 0 | 114.1 | M491 I492 E493 Y584 M610 | M489-M491 PolarHBondContact O-N 2.82Å; M489-I492 PolarHBondContact O-N 3.09Å; M489-I492 HydrophobicContact SD-CD1 3.95Å; M489-E493 WeakPolarHBondContact O-CB 3.49Å; M489-E493 WeakPolarHBondContact O-CG 3.46Å; M489-E493 PolarHBondContact O-N 3.3Å; M489-Y584 HydrophobicContact CE-CD2 4.42Å; M489-Y584 HydrophobicContact SD-CD2 4.04Å; M489-M610 HydrophobicContact CE-CE 3.8Å; M489-M610 HydrophobicContact SD-CE 3.99Å; M489-M610 HydrophobicContact SD-SD 4.06Å |
| 490 | S | 94.4 | Very high | 92.6 | Very high | 73 Ų | 73 | 49.8 Ų | 49.8 | 51% | 0.51 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.5 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | D488 I492 E493 D494 | D488-S490 PolarHBondContact O-N 3.46Å; D488-S490 VanDerWaalsContact O-N 3.12Å; S490-I492 VanDerWaalsContact C-N 3.31Å; S490-I492 PolarHBondContact O-N 3.22Å; S490-E493 PolarHBondContact O-N 3Å; S490-D494 PolarHBondContact O-N 3.36Å |
| 491 | M | 95.3 | Very high | 92.3 | Very high | 76 Ų | 76 | 49.5 Ų | 49.5 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 176.7 | -60.4 | 179.8 | 69.1 | 0 | 0 | 111.2 | C326 P487 D488 M489 H495 | C326-M491 HydrophobicContact CB-CE 4.03Å; P487-M491 HydrophobicContact CB-CB 4.17Å; P487-M491 HydrophobicContact CB-SD 4.37Å; D488-M491 WeakPolarHBondContact O-CB 3.33Å; D488-M491 PolarHBondContact O-N 3.4Å; M489-M491 PolarHBondContact O-N 2.82Å; M491-H495 WeakPolarHBondContact O-CB 3.42Å; M491-H495 PolarHBondContact O-N 3.27Å |
| 492 | I | 96.1 | Very high | 92 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 177.8 | -60.6 | 171.3 | 0 | 0 | 0 | 110.7 | W328 F486 P487 D488 M489 S490 H495 A496 A581 Y584 | W328-I492 HydrophobicContact CH2-CB 4.18Å; W328-I492 HydrophobicContact CH2-CG1 3.8Å; W328-I492 HydrophobicContact CH2-CG2 4.39Å; W328-I492 HydrophobicContact CZ2-CG1 4.3Å; W328-I492 HydrophobicContact CZ3-CG1 4.41Å; F486-I492 HydrophobicContact CE1-CD1 3.8Å; P487-I492 HydrophobicContact CB-CG1 4.04Å; P487-I492 HydrophobicContact CG-CD1 4.15Å; P487-I492 HydrophobicContact CG-CG1 3.9Å; D488-I492 PolarHBondContact O-N 3.36Å; M489-I492 PolarHBondContact O-N 3.09Å; M489-I492 HydrophobicContact SD-CD1 3.95Å; S490-I492 VanDerWaalsContact C-N 3.31Å; S490-I492 PolarHBondContact O-N 3.22Å; I492-H495 PolarHBondContact O-N 2.64Å; I492-A496 WeakPolarHBondContact O-CB 3.18Å; I492-A496 PolarHBondContact O-N 2.86Å; I492-A581 HydrophobicContact CG2-CB 3.64Å; I492-Y584 HydrophobicContact CD1-CD2 4.08Å; I492-Y584 HydrophobicContact CD1-CE2 4.13Å; I492-Y584 HydrophobicContact CG2-CD2 4Å |
| 493 | E | 94.6 | Very high | 91.4 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.8 | -72.9 | 176.6 | -170 | 0 | 0 | 111.6 | M489 S490 H495 A496 N497 K588 | M489-E493 WeakPolarHBondContact O-CB 3.49Å; M489-E493 WeakPolarHBondContact O-CG 3.46Å; M489-E493 PolarHBondContact O-N 3.3Å; S490-E493 PolarHBondContact O-N 3Å; E493-H495 VanDerWaalsContact C-N 3.35Å; E493-H495 PolarHBondContact O-N 3.37Å; E493-A496 PolarHBondContact O-N 3.46Å; E493-N497 WeakPolarHBondContact O-CB 3.38Å; E493-N497 VanDerWaalsContact O-CG 3.24Å; E493-N497 PolarHBondContact O-N 2.86Å; E493-N497 PolarHBondContact O-ND2 2.74Å; E493-K588 IonicContact OE1-NZ 2.89Å; E493-K588 PolarHBondContact OE1-NZ 3.21Å; E493-K588 IonicContact OE2-NZ 3.34Å |
| 494 | D | 94.6 | Very high | 90.3 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 176.3 | -74 | -20.7 | 0 | 0 | 0 | 111.9 | S490 N497 W498 | S490-D494 PolarHBondContact O-N 3.36Å; D494-N497 PolarHBondContact O-N 2.88Å; D494-W498 WeakPolarHBondContact O-CB 3.46Å; D494-W498 PolarHBondContact O-N 3.32Å |
| 495 | H | 94.6 | Very high | 88.7 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 13% | 0.125 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 177.1 | -174.1 | 76.9 | 0 | 0 | 0 | 112.4 | W328 M491 I492 E493 W498 N499 D578 | W328-H495 HydrophobicContact CE3-CB 4.49Å; W328-H495 HydrophobicContact CH2-CB 3.85Å; W328-H495 AromaticContact CH2-CG 4Å; W328-H495 HydrophobicContact CZ3-CB 3.51Å; W328-H495 AromaticContact CZ3-CG 3.81Å; M491-H495 WeakPolarHBondContact O-CB 3.42Å; M491-H495 PolarHBondContact O-N 3.27Å; I492-H495 PolarHBondContact O-N 2.64Å; E493-H495 VanDerWaalsContact C-N 3.35Å; E493-H495 PolarHBondContact O-N 3.37Å; H495-W498 PolarHBondContact O-N 3.21Å; H495-N499 WeakPolarHBondContact O-CB 3.4Å; H495-N499 PolarHBondContact O-N 3.38Å; H495-D578 IonicContact CD2-OD1 3.9Å; H495-D578 IonicContact CE1-OD1 3.4Å; H495-D578 PolarHBondContact CE1-OD1 3.46Å; H495-D578 IonicContact NE2-OD1 2.72Å; H495-D578 PolarHBondContact NE2-OD1 3.48Å |
| 496 | A | 93.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I492 E493 W498 N499 I500 A581 Q582 C585 | I492-A496 WeakPolarHBondContact O-CB 3.18Å; I492-A496 PolarHBondContact O-N 2.86Å; E493-A496 PolarHBondContact O-N 3.46Å; A496-W498 VanDerWaalsContact C-N 3.33Å; A496-W498 PolarHBondContact O-N 3.44Å; A496-N499 PolarHBondContact O-N 3.16Å; A496-I500 VanDerWaalsContact O-CG1 3.3Å; A496-I500 WeakPolarHBondContact O-CG1 3.37Å; A496-I500 PolarHBondContact O-N 3.15Å; A496-A581 HydrophobicContact CB-CB 3.98Å; A496-Q582 HydrophobicContact CB-CG 4.39Å; A496-C585 VanDerWaalsContact CB-SG 3.57Å |
| 497 | N | 90.3 | Very high | 84.2 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 43% | 0.433 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 177.8 | -72.9 | -35.8 | 0 | 0 | 0 | 112.2 | E493 D494 S501 | E493-N497 WeakPolarHBondContact O-CB 3.38Å; E493-N497 VanDerWaalsContact O-CG 3.24Å; E493-N497 PolarHBondContact O-N 2.86Å; E493-N497 PolarHBondContact O-ND2 2.74Å; D494-N497 PolarHBondContact O-N 2.88Å; N497-S501 WeakPolarHBondContact O-CB 3.12Å; N497-S501 PolarHBondContact O-N 2.99Å; N497-S501 PolarHBondContact O-OG 3.17Å |
| 498 | W | 90.3 | Very high | 81.5 | Confident | 100 Ų | 100 | 74 Ų | 74 | 38% | 0.379 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 172.7 | 177.4 | 82.2 | 0 | 0 | 0 | 112.4 | D494 H495 A496 S501 R502 Y508 | D494-W498 WeakPolarHBondContact O-CB 3.46Å; D494-W498 PolarHBondContact O-N 3.32Å; H495-W498 PolarHBondContact O-N 3.21Å; A496-W498 VanDerWaalsContact C-N 3.33Å; A496-W498 PolarHBondContact O-N 3.44Å; W498-S501 PolarHBondContact O-N 3.32Å; W498-R502 PolarHBondContact O-N 2.85Å; W498-Y508 HydrophobicContact CB-CE2 3.91Å; W498-Y508 AromaticContact CD1-CD2 3.78Å; W498-Y508 AromaticContact CD1-CE2 3.82Å; W498-Y508 HydrophobicContact CG-CE2 4.26Å |
| 499 | N | 87.3 | Confident | 78.8 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 179.5 | -166.4 | 8.4 | 0 | 0 | 0 | 112.3 | H495 A496 S501 R502 E503 D578 Q582 | H495-N499 WeakPolarHBondContact O-CB 3.4Å; H495-N499 PolarHBondContact O-N 3.38Å; A496-N499 PolarHBondContact O-N 3.16Å; N499-S501 VanDerWaalsContact C-N 3.27Å; N499-S501 PolarHBondContact O-N 3.41Å; N499-R502 WeakPolarHBondContact O-CA 3.4Å; N499-R502 WeakPolarHBondContact O-CB 3.34Å; N499-R502 PolarHBondContact O-N 3.01Å; N499-R502 PolarHBondContact OD1-NH2 3.08Å; N499-E503 PolarHBondContact O-N 3.27Å; N499-D578 WeakPolarHBondContact ND2-CA 3.37Å; N499-D578 WeakPolarHBondContact ND2-CB 3.26Å; N499-D578 PolarHBondContact ND2-O 2.69Å; N499-D578 VanDerWaalsContact ND2-O 3.1Å; N499-Q582 PolarHBondContact ND2-NE2 3.33Å |
| 500 | I | 83.5 | Confident | 76 | Confident | 35 Ų | 35 | 78.6 Ų | 78.6 | 18% | 0.179 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 175.6 | -67.2 | 164.2 | 0 | 0 | 0 | 110.7 | A496 R502 E503 L504 Q582 | A496-I500 VanDerWaalsContact O-CG1 3.3Å; A496-I500 WeakPolarHBondContact O-CG1 3.37Å; A496-I500 PolarHBondContact O-N 3.15Å; I500-R502 VanDerWaalsContact C-N 3.3Å; I500-R502 PolarHBondContact O-N 3.45Å; I500-E503 PolarHBondContact O-N 3.46Å; I500-L504 HydrophobicContact CG2-CD1 3.87Å; I500-L504 VanDerWaalsContact O-CG 3.3Å; I500-L504 WeakPolarHBondContact O-CG 3.33Å; I500-L504 PolarHBondContact O-N 3.04Å; I500-Q582 HydrophobicContact CD1-CG 4.3Å; I500-Q582 HydrophobicContact CG1-CG 4.06Å |
| 501 | S | 81.6 | Confident | 73.3 | Confident | 34 Ų | 34 | 81.7 Ų | 81.7 | 24% | 0.238 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | N497 W498 N499 L504 G505 F506 | N497-S501 WeakPolarHBondContact O-CB 3.12Å; N497-S501 PolarHBondContact O-N 2.99Å; N497-S501 PolarHBondContact O-OG 3.17Å; W498-S501 PolarHBondContact O-N 3.32Å; N499-S501 VanDerWaalsContact C-N 3.27Å; N499-S501 PolarHBondContact O-N 3.41Å; S501-L504 PolarHBondContact O-N 3.17Å; S501-G505 PolarHBondContact O-N 2.83Å; S501-F506 PolarHBondContact O-N 2.8Å; S501-F506 VanDerWaalsContact O-N 3.09Å |
| 502 | R | 79.9 | Confident | 70.7 | Confident | 128 Ų | 128 | 81.7 Ų | 81.7 | 48% | 0.483 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 175.6 | -174.5 | -177.7 | 66.8 | 175 | -5.1 | 111.7 | W498 N499 I500 L504 G505 D578 | W498-R502 PolarHBondContact O-N 2.85Å; N499-R502 WeakPolarHBondContact O-CA 3.4Å; N499-R502 WeakPolarHBondContact O-CB 3.34Å; N499-R502 PolarHBondContact O-N 3.01Å; N499-R502 PolarHBondContact OD1-NH2 3.08Å; I500-R502 VanDerWaalsContact C-N 3.3Å; I500-R502 PolarHBondContact O-N 3.45Å; R502-L504 PolarHBondContact O-N 3.18Å; R502-G505 PolarHBondContact O-N 2.81Å; R502-G505 VanDerWaalsContact O-N 3.15Å; R502-D578 IonicContact CZ-OD2 3.91Å; R502-D578 IonicContact NH2-OD2 2.86Å; R502-D578 PolarHBondContact NH2-OD2 2.94Å |
| 503 | E | 76.5 | Confident | 67.9 | Low | 103 Ų | 103 | 87.4 Ų | 87.4 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.7 | -35.9 | 175.9 | -73 | -179.5 | -157.4 | 0 | 0 | 112 | N499 I500 G505 R555 Q582 | N499-E503 PolarHBondContact O-N 3.27Å; I500-E503 PolarHBondContact O-N 3.46Å; E503-G505 VanDerWaalsContact C-N 3.35Å; E503-R555 IonicContact OE1-NH2 3.72Å; E503-R555 IonicContact OE2-CZ 3.94Å; E503-R555 IonicContact OE2-NH2 2.78Å; E503-R555 PolarHBondContact OE2-NH2 3.11Å; E503-Q582 PolarHBondContact OE1-NE2 2.85Å |
| 504 | L | 69.1 | Low | 65.1 | Low | 70 Ų | 70 | 90.3 Ų | 90.3 | 37% | 0.366 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.1 | 179.1 | -64.8 | 170.8 | 0 | 0 | 0 | 114.3 | I500 S501 R502 F506 | I500-L504 HydrophobicContact CG2-CD1 3.87Å; I500-L504 VanDerWaalsContact O-CG 3.3Å; I500-L504 WeakPolarHBondContact O-CG 3.33Å; I500-L504 PolarHBondContact O-N 3.04Å; S501-L504 PolarHBondContact O-N 3.17Å; R502-L504 PolarHBondContact O-N 3.18Å; L504-F506 HydrophobicContact CB-CD2 3.51Å; L504-F506 HydrophobicContact CB-CE2 3.52Å; L504-F506 HydrophobicContact CD1-CD2 4.33Å; L504-F506 HydrophobicContact CD1-CE2 4.06Å; L504-F506 HydrophobicContact CG-CE2 4.35Å |
| 505 | G | 62.3 | Low | 62.3 | Low | 66 Ų | 66 | 92.1 Ų | 92.1 | 68% | 0.68 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 25.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S501 R502 E503 | S501-G505 PolarHBondContact O-N 2.83Å; R502-G505 PolarHBondContact O-N 2.81Å; R502-G505 VanDerWaalsContact O-N 3.15Å; E503-G505 VanDerWaalsContact C-N 3.35Å |
| 506 | F | 54.5 | Low | 59.8 | Low | 128 Ų | 128 | 99.9 Ų | 99.9 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | trans | -95.8 | 140.5 | 179.3 | -63.1 | -61.2 | 0 | 0 | 0 | 112.8 | S501 L504 | S501-F506 PolarHBondContact O-N 2.8Å; S501-F506 VanDerWaalsContact O-N 3.09Å; L504-F506 HydrophobicContact CB-CD2 3.51Å; L504-F506 HydrophobicContact CB-CE2 3.52Å; L504-F506 HydrophobicContact CD1-CD2 4.33Å; L504-F506 HydrophobicContact CD1-CE2 4.06Å; L504-F506 HydrophobicContact CG-CE2 4.35Å | ||
| 507 | N | 44.7 | Very low | 57.3 | Low | 160 Ų | 160 | 108.1 Ų | 108.1 | 86% | 0.856 | 58% | 0.579 | S | S | * | * | trans | -76.2 | 127.9 | 173 | -82.8 | -15.1 | 0 | 0 | 0 | 111.3 | S509 | N507-S509 VanDerWaalsContact C-N 3.34Å; N507-S509 PolarHBondContact O-N 2.95Å | ||
| 508 | Y | 40.7 | Very low | 55.1 | Low | 137 Ų | 137 | 105.4 Ų | 105.4 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -76.3 | 75.5 | -175.5 | -146.9 | -96.4 | 0 | 0 | 0 | 111.7 | W498 | W498-Y508 HydrophobicContact CB-CE2 3.91Å; W498-Y508 AromaticContact CD1-CD2 3.78Å; W498-Y508 AromaticContact CD1-CE2 3.82Å; W498-Y508 HydrophobicContact CG-CE2 4.26Å |
| 509 | S | 38.5 | Very low | 53 | Low | 87 Ų | 87 | 112.2 Ų | 112.2 | 61% | 0.608 | 59% | 0.594 | S | S | * | * | trans | -154.9 | 72.8 | 173 | 45.6 | 0 | 0 | 0 | 0 | 111.1 | N507 | N507-S509 VanDerWaalsContact C-N 3.34Å; N507-S509 PolarHBondContact O-N 2.95Å | ||
| 510 | H | 34 | Very low | 51.3 | Low | 183 Ų | 183 | 114.7 Ų | 114.7 | 85% | 0.847 | 61% | 0.607 | S | S | * | * | trans | -166.8 | 117.9 | 150.1 | -91.2 | -55.2 | 0 | 0 | 0 | 110.7 | ||||
| 511 | P | 36.7 | Very low | 50.1 | Low | 138 Ų | 138 | 121.7 Ų | 121.7 | 90% | 0.896 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -78.3 | 122.9 | 169.4 | 9.5 | 5.2 | 0 | 0 | 0 | 109.4 | ||
| 512 | G | 41.8 | Very low | 49.3 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 78% | 0.784 | 66% | 0.662 | S | S | * | * | trans | 136.2 | 31.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 513 | L | 38 | Very low | 49 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 65% | 0.654 | 65% | 0.65 | S | S | * | * | trans | -137.4 | 93.8 | 176.5 | -85.1 | 155 | 0 | 0 | 0 | 111.6 | N515 | L513-N515 PolarHBondContact O-N 3.44Š| ||
| 514 | S | 34.9 | Very low | 49.4 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 78% | 0.783 | 65% | 0.648 | S | S | * | * | trans | -82.8 | -1.3 | -174.8 | 83.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 515 | N | 36.3 | Very low | 50.2 | Low | 141 Ų | 141 | 125.2 Ų | 125.2 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | trans | -132.6 | 85.3 | -172.3 | -69.1 | -11.3 | 0 | 0 | 0 | 111 | L513 | L513-N515 PolarHBondContact O-N 3.44Š| ||
| 516 | R | 41.7 | Very low | 51.5 | Low | 190 Ų | 190 | 126 Ų | 126 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | trans | -138.2 | 100.2 | 163.5 | -68.7 | -168.2 | -178 | -177.9 | 3 | 110.1 | A518 | R516-A518 PolarHBondContact O-N 2.94Š| ||
| 517 | L | 40.9 | Very low | 53.1 | Low | 172 Ų | 172 | 121.5 Ų | 121.5 | 90% | 0.901 | 65% | 0.646 | S | S | * | * | trans | -52.7 | 128.9 | 166.7 | -75.7 | 151.4 | 0 | 0 | 0 | 109.5 | R519 | L517-R519 PolarHBondContact O-N 2.78Š| ||
| 518 | A | 44.7 | Very low | 55.2 | Low | 25 Ų | 25 | 115.8 Ų | 115.8 | 21% | 0.207 | 62% | 0.615 | C | S | . | * | trans | -51.8 | 125.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | R516 D520 | R516-A518 PolarHBondContact O-N 2.94Å; A518-D520 VanDerWaalsContact C-N 3.26Å; A518-D520 PolarHBondContact O-N 2.89Å | ||
| 519 | R | 44.5 | Very low | 57.5 | Low | 243 Ų | 243 | 114.1 Ų | 114.1 | 92% | 0.917 | 61% | 0.613 | S | S | * | * | trans | -75.4 | 88.1 | 168 | -83.6 | -173.2 | 178 | -170.3 | -0.5 | 107.1 | L517 | L517-R519 PolarHBondContact O-N 2.78Š| ||
| 520 | D | 52.2 | Low | 60.1 | Low | 55 Ų | 55 | 113.1 Ų | 113.1 | 29% | 0.294 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 149.7 | 158.9 | -73.6 | -22.8 | 0 | 0 | 0 | 108.4 | A518 | A518-D520 VanDerWaalsContact C-N 3.26Å; A518-D520 PolarHBondContact O-N 2.89Å |
| 521 | K | 58 | Low | 62.9 | Low | 182 Ų | 182 | 104.4 Ų | 104.4 | 79% | 0.791 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 143.1 | 164.1 | -73.5 | 178.7 | -179 | 172.6 | 0 | 107.8 | L523 | K521-L523 PolarHBondContact O-N 2.84Š|
| 522 | P | 64.9 | Low | 65.5 | Low | 122 Ų | 122 | 104.9 Ų | 104.9 | 79% | 0.792 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 116.7 | 176.7 | 23.7 | -31.9 | 0 | 0 | 0 | 108.5 | T524 | P522-T524 PolarHBondContact O-N 3.12Š|
| 523 | L | 74.6 | Confident | 67.9 | Low | 42 Ų | 42 | 106 Ų | 106 | 22% | 0.22 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 129.9 | 178.1 | -79.8 | 148 | 0 | 0 | 0 | 109.2 | K521 D527 L531 H554 Y557 | K521-L523 PolarHBondContact O-N 2.84Å; L523-D527 HydrophobicContact CD2-CB 3.65Å; L523-L531 HydrophobicContact CD2-CD1 4.38Å; L523-H554 VanDerWaalsContact CD2-CD2 3.43Å; L523-H554 WeakPolarHBondContact CD2-CD2 3.29Å; L523-Y557 HydrophobicContact CD1-CD1 3.61Å; L523-Y557 HydrophobicContact CD1-CD2 3.14Å; L523-Y557 HydrophobicContact CD1-CE1 3.89Å; L523-Y557 HydrophobicContact CD1-CE2 3.45Å; L523-Y557 VanDerWaalsContact CD1-CE2 3.45Å; L523-Y557 HydrophobicContact CD1-CG 3.22Å; L523-Y557 HydrophobicContact CD2-CD1 4.46Å |
| 524 | T | 84.6 | Confident | 70.5 | Confident | 71 Ų | 71 | 100.1 Ų | 100.1 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 159.5 | 168.7 | 69.8 | 0 | 0 | 0 | 0 | 109.5 | P522 S526 D527 N528 | P522-T524 PolarHBondContact O-N 3.12Å; T524-S526 PolarHBondContact O-N 3.43Å; T524-D527 WeakPolarHBondContact CB-OD2 3.43Å; T524-D527 PolarHBondContact N-OD2 3.46Å; T524-D527 PolarHBondContact O-N 3.23Å; T524-D527 VanDerWaalsContact O-N 3.14Å; T524-D527 PolarHBondContact OG1-N 2.89Å; T524-D527 VanDerWaalsContact OG1-N 3.17Å; T524-D527 PolarHBondContact OG1-OD1 2.8Å; T524-D527 PolarHBondContact OG1-OD2 3.38Å; T524-N528 PolarHBondContact O-N 3.44Å; T524-N528 PolarHBondContact O-ND2 3.11Å |
| 525 | E | 85.8 | Confident | 73.3 | Confident | 174 Ų | 174 | 95.7 Ų | 95.7 | 81% | 0.813 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.2 | -32.2 | 172.2 | -170 | 171.6 | -172.3 | 0 | 0 | 111.5 | N528 E529 | E525-N528 PolarHBondContact O-N 3.44Å; E525-E529 PolarHBondContact O-N 2.79Å; E525-E529 VanDerWaalsContact O-N 3.07Å |
| 526 | S | 89.5 | Confident | 75.8 | Confident | 82 Ų | 82 | 95.1 Ų | 95.1 | 57% | 0.573 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 174.1 | -171 | 0 | 0 | 0 | 0 | 112.6 | T524 N528 E529 Q530 | T524-S526 PolarHBondContact O-N 3.43Å; S526-N528 VanDerWaalsContact C-N 3.34Å; S526-E529 PolarHBondContact O-N 3.45Å; S526-Q530 WeakPolarHBondContact O-CB 3.31Å; S526-Q530 PolarHBondContact O-N 3.46Å |
| 527 | D | 88.3 | Confident | 78.3 | Confident | 35 Ų | 35 | 90 Ų | 90 | 19% | 0.187 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 179.1 | -57.3 | -42.6 | 0 | 0 | 0 | 110.8 | L523 T524 E529 Q530 L531 F550 | L523-D527 HydrophobicContact CD2-CB 3.65Å; T524-D527 WeakPolarHBondContact CB-OD2 3.43Å; T524-D527 PolarHBondContact N-OD2 3.46Å; T524-D527 PolarHBondContact O-N 3.23Å; T524-D527 VanDerWaalsContact O-N 3.14Å; T524-D527 PolarHBondContact OG1-N 2.89Å; T524-D527 VanDerWaalsContact OG1-N 3.17Å; T524-D527 PolarHBondContact OG1-OD1 2.8Å; T524-D527 PolarHBondContact OG1-OD2 3.38Å; D527-E529 VanDerWaalsContact C-N 3.35Å; D527-E529 PolarHBondContact O-N 3.47Å; D527-Q530 PolarHBondContact O-N 3.16Å; D527-L531 WeakPolarHBondContact O-CG 3.4Å; D527-L531 PolarHBondContact O-N 3.3Å; D527-F550 HydrophobicContact CB-CE2 4.21Å; D527-F550 HydrophobicContact CB-CZ 4.07Å |
| 528 | N | 87.9 | Confident | 80.8 | Confident | 39 Ų | 39 | 82.2 Ų | 82.2 | 21% | 0.209 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 176.6 | -76 | -42.7 | 0 | 0 | 0 | 112.4 | T524 E525 S526 R532 Y557 | T524-N528 PolarHBondContact O-N 3.44Å; T524-N528 PolarHBondContact O-ND2 3.11Å; E525-N528 PolarHBondContact O-N 3.44Å; S526-N528 VanDerWaalsContact C-N 3.34Å; N528-R532 WeakPolarHBondContact O-CG 3.47Å; N528-R532 PolarHBondContact O-N 3.25Å; N528-R532 VanDerWaalsContact O-N 3.15Å; N528-Y557 VanDerWaalsContact OD1-CE1 3.24Å; N528-Y557 WeakPolarHBondContact OD1-CE1 3.4Å; N528-Y557 VanDerWaalsContact OD1-CZ 3.23Å; N528-Y557 PolarHBondContact OD1-OH 3.36Å |
| 529 | E | 90.3 | Very high | 83.1 | Confident | 103 Ų | 103 | 81.9 Ų | 81.9 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 176.5 | -175.9 | 56.9 | -150.6 | 0 | 0 | 111 | E525 S526 D527 L531 R532 Q533 | E525-E529 PolarHBondContact O-N 2.79Å; E525-E529 VanDerWaalsContact O-N 3.07Å; S526-E529 PolarHBondContact O-N 3.45Å; D527-E529 VanDerWaalsContact C-N 3.35Å; D527-E529 PolarHBondContact O-N 3.47Å; E529-L531 PolarHBondContact O-N 2.9Å; E529-R532 PolarHBondContact O-N 3.15Å; E529-Q533 VanDerWaalsContact O-CG 3.31Å; E529-Q533 WeakPolarHBondContact O-CG 3.31Å; E529-Q533 PolarHBondContact O-N 3.38Å; E529-Q533 PolarHBondContact OE1-NE2 3.25Å |
| 530 | Q | 92.9 | Very high | 85.4 | Confident | 65 Ų | 65 | 71.8 Ų | 71.8 | 30% | 0.304 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.3 | -173.4 | 175.5 | -7.5 | 0 | 0 | 112.3 | S526 D527 R532 Q533 V534 F550 | S526-Q530 WeakPolarHBondContact O-CB 3.31Å; S526-Q530 PolarHBondContact O-N 3.46Å; D527-Q530 PolarHBondContact O-N 3.16Å; Q530-R532 VanDerWaalsContact C-N 3.34Å; Q530-R532 PolarHBondContact O-N 3.46Å; Q530-Q533 PolarHBondContact O-N 2.84Å; Q530-V534 WeakPolarHBondContact O-CG2 3.28Å; Q530-V534 PolarHBondContact O-N 3.27Å; Q530-F550 HydrophobicContact CB-CE1 4.13Å; Q530-F550 HydrophobicContact CB-CZ 4.14Å; Q530-F550 HydrophobicContact CG-CD1 4.39Å; Q530-F550 HydrophobicContact CG-CE1 3.83Å; Q530-F550 HydrophobicContact CG-CZ 4.2Å |
| 531 | L | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 175.3 | -73.8 | 171.9 | 0 | 0 | 0 | 112.1 | L523 D527 E529 V534 C535 F550 L551 Y557 I561 I564 | L523-L531 HydrophobicContact CD2-CD1 4.38Å; D527-L531 WeakPolarHBondContact O-CG 3.4Å; D527-L531 PolarHBondContact O-N 3.3Å; E529-L531 PolarHBondContact O-N 2.9Å; L531-V534 PolarHBondContact O-N 2.8Å; L531-C535 VanDerWaalsContact O-CB 3.32Å; L531-C535 WeakPolarHBondContact O-CB 3.34Å; L531-C535 PolarHBondContact O-N 3.17Å; L531-F550 HydrophobicContact CD2-CD1 4.3Å; L531-F550 HydrophobicContact CD2-CE1 3.58Å; L531-F550 HydrophobicContact CD2-CZ 4.24Å; L531-F550 HydrophobicContact CG-CE1 3.75Å; L531-F550 HydrophobicContact CG-CZ 4.03Å; L531-L551 HydrophobicContact CD2-CD2 3.83Å; L531-Y557 HydrophobicContact CD1-CD1 3.6Å; L531-Y557 HydrophobicContact CD1-CE1 3.87Å; L531-I561 HydrophobicContact CB-CD1 4.09Å; L531-I564 HydrophobicContact CB-CD1 4.39Å; L531-I564 HydrophobicContact CD2-CD1 4Å |
| 532 | R | 91.3 | Very high | 88.7 | Confident | 148 Ų | 148 | 69.9 Ų | 69.9 | 56% | 0.558 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 176 | -72.4 | 172.4 | -176.8 | -118.4 | -0.5 | 111.8 | N528 E529 Q530 C535 N536 | N528-R532 WeakPolarHBondContact O-CG 3.47Å; N528-R532 PolarHBondContact O-N 3.25Å; N528-R532 VanDerWaalsContact O-N 3.15Å; E529-R532 PolarHBondContact O-N 3.15Å; Q530-R532 VanDerWaalsContact C-N 3.34Å; Q530-R532 PolarHBondContact O-N 3.46Å; R532-C535 PolarHBondContact O-N 3.27Å; R532-N536 VanDerWaalsContact O-CG 3.28Å; R532-N536 PolarHBondContact O-N 3.35Å; R532-N536 VanDerWaalsContact O-N 3.1Å; R532-N536 PolarHBondContact O-ND2 3.1Å |
| 533 | Q | 91.5 | Very high | 89.9 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 177 | -73.8 | 175.3 | 13.5 | 0 | 0 | 111.4 | E529 Q530 N536 R537 | E529-Q533 VanDerWaalsContact O-CG 3.31Å; E529-Q533 WeakPolarHBondContact O-CG 3.31Å; E529-Q533 PolarHBondContact O-N 3.38Å; E529-Q533 PolarHBondContact OE1-NE2 3.25Å; Q530-Q533 PolarHBondContact O-N 2.84Å; Q533-N536 PolarHBondContact O-N 2.91Å; Q533-R537 WeakPolarHBondContact O-CG 3.46Å; Q533-R537 PolarHBondContact O-N 3.18Å |
| 534 | V | 92.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 177.3 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | Q530 L531 N536 R537 L551 K567 | Q530-V534 WeakPolarHBondContact O-CG2 3.28Å; Q530-V534 PolarHBondContact O-N 3.27Å; L531-V534 PolarHBondContact O-N 2.8Å; V534-N536 VanDerWaalsContact C-N 3.26Å; V534-N536 PolarHBondContact O-N 3.39Å; V534-R537 PolarHBondContact O-N 3.5Å; V534-L551 HydrophobicContact CG1-CD1 4.11Å; V534-L551 HydrophobicContact CG1-CD2 4.23Å; V534-K567 HydrophobicContact CG1-CB 4.3Å; V534-K567 HydrophobicContact CG1-CG 4.37Å |
| 535 | C | 92.6 | Very high | 91 | Very high | 20 Ų | 20 | 68.1 Ų | 68.1 | 14% | 0.135 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.3 | -34.6 | 176.9 | -174 | 0 | 0 | 0 | 0 | 113.1 | L531 R532 I561 I564 | L531-C535 VanDerWaalsContact O-CB 3.32Å; L531-C535 WeakPolarHBondContact O-CB 3.34Å; L531-C535 PolarHBondContact O-N 3.17Å; R532-C535 PolarHBondContact O-N 3.27Å; C535-I561 HydrophobicContact CB-CG2 4.46Å; C535-I564 HydrophobicContact CB-CB 4.14Å; C535-I564 HydrophobicContact CB-CD1 4.14Å; C535-I564 HydrophobicContact CB-CG1 3.9Å |
| 536 | N | 90.2 | Very high | 91.1 | Very high | 129 Ų | 129 | 66.6 Ų | 66.6 | 69% | 0.69 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -7.8 | -177.6 | -70.3 | -27.4 | 0 | 0 | 0 | 113.9 | R532 Q533 V534 | R532-N536 VanDerWaalsContact O-CG 3.28Å; R532-N536 PolarHBondContact O-N 3.35Å; R532-N536 VanDerWaalsContact O-N 3.1Å; R532-N536 PolarHBondContact O-ND2 3.1Å; Q533-N536 PolarHBondContact O-N 2.91Å; V534-N536 VanDerWaalsContact C-N 3.26Å; V534-N536 PolarHBondContact O-N 3.39Å |
| 537 | R | 92.8 | Very high | 91.3 | Very high | 82 Ų | 82 | 63.6 Ų | 63.6 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -72.1 | 151.9 | 176.7 | -65.9 | -172.6 | -165.7 | 160.8 | 9.5 | 111.3 | Q533 V534 S541 E547 | Q533-R537 WeakPolarHBondContact O-CG 3.46Å; Q533-R537 PolarHBondContact O-N 3.18Å; V534-R537 PolarHBondContact O-N 3.5Å; R537-S541 WeakPolarHBondContact CD-OG 3.19Å; R537-E547 IonicContact CZ-OE1 2.76Å; R537-E547 IonicContact NH1-OE1 3.79Å; R537-E547 PolarHBondContact NH1-OE1 3.09Å; R537-E547 IonicContact NH1-OE2 2.81Å; R537-E547 PolarHBondContact NH1-OE2 2.78Å; R537-E547 IonicContact NH2-OE1 3.53Å; R537-E547 PolarHBondContact NH2-OE1 3.1Å |
| 538 | D | 94 | Very high | 91.5 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | trans | -68.3 | 157.4 | 179.3 | 78.2 | -113.8 | 0 | 0 | 0 | 112.4 | L540 S541 N996 I999 R1023 L1028 | D538-L540 PolarHBondContact O-N 3.19Å; D538-L540 VanDerWaalsContact O-N 3.15Å; D538-L540 WeakPolarHBondContact OD2-CA 3.3Å; D538-L540 WeakPolarHBondContact OD2-CB 3.47Å; D538-L540 PolarHBondContact OD2-N 3.41Å; D538-S541 VanDerWaalsContact O-CB 3.24Å; D538-S541 WeakPolarHBondContact O-CB 3.46Å; D538-S541 PolarHBondContact O-N 3.18Å; D538-S541 VanDerWaalsContact O-N 3.08Å; D538-S541 PolarHBondContact OD2-N 2.84Å; D538-N996 WeakPolarHBondContact CA-OD1 3.37Å; D538-I999 HydrophobicContact CB-CD1 3.73Å; D538-R1023 IonicContact OD1-CZ 3.54Å; D538-R1023 IonicContact OD1-NE 3.18Å; D538-R1023 PolarHBondContact OD1-NE 2.74Å; D538-R1023 VanDerWaalsContact OD1-NE 3.13Å; D538-R1023 IonicContact OD1-NH2 3.96Å; D538-R1023 PolarHBondContact OD1-NH2 3.15Å; D538-R1023 IonicContact OD2-CZ 3.82Å; D538-R1023 IonicContact OD2-NE 2.71Å; D538-R1023 PolarHBondContact OD2-NE 3.03Å; D538-R1023 IonicContact OD2-NH2 3.88Å; D538-L1028 HydrophobicContact CB-CD1 3.87Å; D538-L1028 WeakPolarHBondContact OD1-CD1 3.44Å | ||
| 539 | P | 93.9 | Very high | 91.5 | Very high | 17 Ų | 17 | 66 Ų | 66 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.5 | -177.2 | -26.2 | 35.1 | 0 | 0 | 0 | 115.9 | N996 I999 N1000 | P539-N996 HydrophobicContact CG-CB 4.41Å; P539-I999 HydrophobicContact CB-CG2 3.99Å; P539-I999 HydrophobicContact CG-CG2 4Å; P539-N1000 WeakPolarHBondContact CG-OD1 3.44Å |
| 540 | L | 92.5 | Very high | 91.4 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 3.8 | -179.6 | -61.9 | -179.1 | 0 | 0 | 0 | 112.4 | D538 E542 I999 F1016 I1019 R1023 | D538-L540 PolarHBondContact O-N 3.19Å; D538-L540 VanDerWaalsContact O-N 3.15Å; D538-L540 WeakPolarHBondContact OD2-CA 3.3Å; D538-L540 WeakPolarHBondContact OD2-CB 3.47Å; D538-L540 PolarHBondContact OD2-N 3.41Å; L540-E542 PolarHBondContact O-N 2.92Å; L540-I999 HydrophobicContact CD1-CG2 3.81Å; L540-I999 HydrophobicContact CD2-CG2 4.49Å; L540-I999 HydrophobicContact CG-CG2 3.65Å; L540-F1016 HydrophobicContact CD2-CB 4.18Å; L540-F1016 HydrophobicContact CD2-CD1 3.36Å; L540-F1016 HydrophobicContact CD2-CE1 3.98Å; L540-F1016 HydrophobicContact CD2-CG 4.03Å; L540-I1019 HydrophobicContact CD1-CB 3.87Å; L540-I1019 HydrophobicContact CD1-CG2 3.6Å; L540-R1023 VanDerWaalsContact CB-CD 3.5Å; L540-R1023 HydrophobicContact CB-CG 4.47Å; L540-R1023 HydrophobicContact CD1-CG 4.34Å |
| 541 | S | 90.8 | Very high | 91.4 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -67.6 | 128.3 | 171.1 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | R537 D538 I543 | R537-S541 WeakPolarHBondContact CD-OG 3.19Å; D538-S541 VanDerWaalsContact O-CB 3.24Å; D538-S541 WeakPolarHBondContact O-CB 3.46Å; D538-S541 PolarHBondContact O-N 3.18Å; D538-S541 VanDerWaalsContact O-N 3.08Å; D538-S541 PolarHBondContact OD2-N 2.84Å; S541-I543 PolarHBondContact O-N 3.14Å |
| 542 | E | 88.1 | Confident | 91.4 | Very high | 173 Ų | 173 | 60.4 Ų | 60.4 | 81% | 0.808 | 29% | 0.29 | S | S | * | . | trans | -60.7 | 132.7 | 175.7 | -66.9 | -179.7 | -179 | 0 | 0 | 110.6 | L540 | L540-E542 PolarHBondContact O-N 2.92Š| ||
| 543 | I | 90.8 | Very high | 91.2 | Very high | 28 Ų | 28 | 56 Ų | 56 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | trans | -105.2 | 117.8 | 172.3 | -51.5 | 174.6 | 0 | 0 | 0 | 106.9 | S541 E547 K548 L551 K567 L570 | S541-I543 PolarHBondContact O-N 3.14Å; I543-E547 HydrophobicContact CG2-CB 3.72Å; I543-K548 HydrophobicContact CG2-CG 3.82Å; I543-L551 HydrophobicContact CG2-CD1 4.39Å; I543-K567 HydrophobicContact CD1-CB 4.13Å; I543-K567 HydrophobicContact CD1-CD 3.56Å; I543-K567 HydrophobicContact CD1-CG 4.45Å; I543-K567 HydrophobicContact CG1-CD 4.38Å; I543-L570 HydrophobicContact CD1-CB 4.22Å; I543-L570 HydrophobicContact CD1-CD1 4.05Å | ||
| 544 | T | 92.7 | Very high | 91.2 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 40% | 0.399 | 27% | 0.266 | S | S | . | . | trans | -69.3 | 156.5 | 179.7 | 60 | 0 | 0 | 0 | 0 | 111.5 | Q546 E547 K548 | T544-Q546 PolarHBondContact O-N 3.15Å; T544-E547 PolarHBondContact N-OE2 3.27Å; T544-E547 WeakPolarHBondContact O-CB 3.3Å; T544-E547 PolarHBondContact O-N 2.89Å; T544-E547 WeakPolarHBondContact OG1-CB 3.41Å; T544-E547 VanDerWaalsContact OG1-CD 3.27Å; T544-E547 VanDerWaalsContact OG1-CG 3.22Å; T544-E547 WeakPolarHBondContact OG1-CG 3.37Å; T544-E547 PolarHBondContact OG1-N 3.17Å; T544-E547 PolarHBondContact OG1-OE2 3.2Å; T544-K548 PolarHBondContact O-N 3.17Å | ||
| 545 | E | 88.9 | Confident | 91.1 | Very high | 105 Ų | 105 | 53.3 Ų | 53.3 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.6 | -34 | 177.1 | -67.2 | -59.8 | 121.4 | 0 | 0 | 112.2 | E547 K548 D549 | E545-E547 VanDerWaalsContact C-N 3.35Å; E545-E547 PolarHBondContact O-N 3.19Å; E545-K548 PolarHBondContact O-N 3.2Å; E545-K548 WeakPolarHBondContact OE1-CD 3.43Å; E545-K548 WeakPolarHBondContact OE1-CE 3.23Å; E545-K548 IonicContact OE1-NZ 2.72Å; E545-K548 PolarHBondContact OE1-NZ 3.43Å; E545-D549 PolarHBondContact O-N 2.97Å |
| 546 | Q | 89.1 | Confident | 90.9 | Very high | 142 Ų | 142 | 54.7 Ų | 54.7 | 66% | 0.664 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.7 | -38.8 | 173.9 | -63.4 | 84.1 | 0.3 | 0 | 0 | 112.2 | T544 F550 | T544-Q546 PolarHBondContact O-N 3.15Å; Q546-F550 VanDerWaalsContact O-CB 3.24Å; Q546-F550 WeakPolarHBondContact O-CB 3.38Å; Q546-F550 PolarHBondContact O-N 3.14Å |
| 547 | E | 92.6 | Very high | 90.9 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.5 | -36 | 175.5 | -74.4 | 166.8 | 143.6 | 0 | 0 | 111.5 | R537 I543 T544 E545 F550 L551 | R537-E547 IonicContact CZ-OE1 2.76Å; R537-E547 IonicContact NH1-OE1 3.79Å; R537-E547 PolarHBondContact NH1-OE1 3.09Å; R537-E547 IonicContact NH1-OE2 2.81Å; R537-E547 PolarHBondContact NH1-OE2 2.78Å; R537-E547 IonicContact NH2-OE1 3.53Å; R537-E547 PolarHBondContact NH2-OE1 3.1Å; I543-E547 HydrophobicContact CG2-CB 3.72Å; T544-E547 PolarHBondContact N-OE2 3.27Å; T544-E547 WeakPolarHBondContact O-CB 3.3Å; T544-E547 PolarHBondContact O-N 2.89Å; T544-E547 WeakPolarHBondContact OG1-CB 3.41Å; T544-E547 VanDerWaalsContact OG1-CD 3.27Å; T544-E547 VanDerWaalsContact OG1-CG 3.22Å; T544-E547 WeakPolarHBondContact OG1-CG 3.37Å; T544-E547 PolarHBondContact OG1-N 3.17Å; T544-E547 PolarHBondContact OG1-OE2 3.2Å; E545-E547 VanDerWaalsContact C-N 3.35Å; E545-E547 PolarHBondContact O-N 3.19Å; E547-F550 PolarHBondContact O-N 3.25Å; E547-L551 WeakPolarHBondContact O-CB 3.45Å; E547-L551 VanDerWaalsContact O-CG 3.26Å; E547-L551 WeakPolarHBondContact O-CG 3.2Å; E547-L551 PolarHBondContact O-N 2.81Å |
| 548 | K | 92.2 | Very high | 90.9 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -50.2 | 173 | -68.8 | -176.3 | -176.6 | 169.5 | 0 | 111.4 | I543 T544 E545 F550 L551 W552 L570 A571 | I543-K548 HydrophobicContact CG2-CG 3.82Å; T544-K548 PolarHBondContact O-N 3.17Å; E545-K548 PolarHBondContact O-N 3.2Å; E545-K548 WeakPolarHBondContact OE1-CD 3.43Å; E545-K548 WeakPolarHBondContact OE1-CE 3.23Å; E545-K548 IonicContact OE1-NZ 2.72Å; E545-K548 PolarHBondContact OE1-NZ 3.43Å; K548-F550 VanDerWaalsContact C-N 3.26Å; K548-F550 PolarHBondContact O-N 3.07Å; K548-L551 PolarHBondContact O-N 3.42Å; K548-W552 WeakPolarHBondContact O-CB 3.33Å; K548-W552 PolarHBondContact O-N 2.92Å; K548-L570 WeakPolarHBondContact CE-O 3.31Å; K548-A571 HydrophobicContact CB-CB 3.8Å; K548-A571 HydrophobicContact CG-CB 3.99Å |
| 549 | D | 88 | Confident | 90.8 | Very high | 84 Ų | 84 | 49.2 Ų | 49.2 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.2 | -38.4 | 176 | -74.3 | -24.4 | 0 | 0 | 0 | 111.4 | E545 S553 K573 | E545-D549 PolarHBondContact O-N 2.97Å; D549-S553 VanDerWaalsContact O-CB 3.3Å; D549-S553 WeakPolarHBondContact O-CB 3.26Å; D549-S553 PolarHBondContact O-N 3.03Å; D549-S553 PolarHBondContact O-OG 3.39Å; D549-K573 IonicContact OD1-NZ 3.53Å |
| 550 | F | 89.8 | Confident | 90.6 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 174.7 | 174.3 | -102.5 | 0 | 0 | 0 | 112.5 | D527 Q530 L531 Q546 E547 K548 S553 H554 | D527-F550 HydrophobicContact CB-CE2 4.21Å; D527-F550 HydrophobicContact CB-CZ 4.07Å; Q530-F550 HydrophobicContact CB-CE1 4.13Å; Q530-F550 HydrophobicContact CB-CZ 4.14Å; Q530-F550 HydrophobicContact CG-CD1 4.39Å; Q530-F550 HydrophobicContact CG-CE1 3.83Å; Q530-F550 HydrophobicContact CG-CZ 4.2Å; L531-F550 HydrophobicContact CD2-CD1 4.3Å; L531-F550 HydrophobicContact CD2-CE1 3.58Å; L531-F550 HydrophobicContact CD2-CZ 4.24Å; L531-F550 HydrophobicContact CG-CE1 3.75Å; L531-F550 HydrophobicContact CG-CZ 4.03Å; Q546-F550 VanDerWaalsContact O-CB 3.24Å; Q546-F550 WeakPolarHBondContact O-CB 3.38Å; Q546-F550 PolarHBondContact O-N 3.14Å; E547-F550 PolarHBondContact O-N 3.25Å; K548-F550 VanDerWaalsContact C-N 3.26Å; K548-F550 PolarHBondContact O-N 3.07Å; F550-S553 WeakPolarHBondContact CA-OG 3.29Å; F550-S553 PolarHBondContact O-N 2.87Å; F550-S553 PolarHBondContact O-OG 2.98Å; F550-H554 AromaticContact CD2-CE1 3.56Å; F550-H554 AromaticContact CD2-ND1 3.62Å; F550-H554 AromaticContact CE2-CE1 3.37Å; F550-H554 WeakPolarHBondContact CE2-CE1 3.45Å; F550-H554 AromaticContact CE2-ND1 3.58Å; F550-H554 PolarHBondContact O-N 3.39Å; F550-H554 PolarHBondContact O-ND1 3.12Å |
| 551 | L | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 176.9 | -74.5 | 169.4 | 0 | 0 | 0 | 111.1 | L531 V534 I543 E547 K548 S553 H554 R555 I564 K567 I568 A571 | L531-L551 HydrophobicContact CD2-CD2 3.83Å; V534-L551 HydrophobicContact CG1-CD1 4.11Å; V534-L551 HydrophobicContact CG1-CD2 4.23Å; I543-L551 HydrophobicContact CG2-CD1 4.39Å; E547-L551 WeakPolarHBondContact O-CB 3.45Å; E547-L551 VanDerWaalsContact O-CG 3.26Å; E547-L551 WeakPolarHBondContact O-CG 3.2Å; E547-L551 PolarHBondContact O-N 2.81Å; K548-L551 PolarHBondContact O-N 3.42Å; L551-S553 PolarHBondContact O-N 3.19Å; L551-H554 CarbonylContact O-C 3.42Å; L551-H554 PolarHBondContact O-N 2.71Å; L551-R555 PolarHBondContact O-N 3.25Å; L551-I564 HydrophobicContact CD2-CD1 3.61Å; L551-I564 HydrophobicContact CD2-CG1 4.26Å; L551-K567 HydrophobicContact CD1-CB 4.09Å; L551-I568 HydrophobicContact CB-CG1 4.47Å; L551-I568 HydrophobicContact CD2-CG1 4.45Å; L551-A571 HydrophobicContact CB-CB 4.06Å; L551-A571 HydrophobicContact CD1-CB 4.21Å |
| 552 | W | 91.9 | Very high | 90.9 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 9% | 0.087 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | -178.9 | -173.5 | -113.6 | 0 | 0 | 0 | 112.3 | K548 H554 R555 V572 E579 Q582 M583 | K548-W552 WeakPolarHBondContact O-CB 3.33Å; K548-W552 PolarHBondContact O-N 2.92Å; W552-H554 PolarHBondContact O-N 3.18Å; W552-R555 HydrophobicContact CE3-CB 4.28Å; W552-R555 VanDerWaalsContact O-CB 3.32Å; W552-R555 WeakPolarHBondContact O-CB 3.37Å; W552-R555 VanDerWaalsContact O-CD 3.24Å; W552-R555 WeakPolarHBondContact O-CD 3.29Å; W552-R555 WeakPolarHBondContact O-CG 3.36Å; W552-R555 PolarHBondContact O-N 2.9Å; W552-R555 PolarHBondContact O-NH1 2.89Å; W552-V572 HydrophobicContact CE3-CG2 4Å; W552-V572 HydrophobicContact CH2-CG2 4.39Å; W552-V572 HydrophobicContact CZ3-CG2 3.6Å; W552-E579 HydrophobicContact CH2-CB 4.05Å; W552-E579 VanDerWaalsContact CH2-O 3.31Å; W552-E579 WeakPolarHBondContact CH2-O 3.48Å; W552-E579 HydrophobicContact CZ2-CB 3.54Å; W552-E579 HydrophobicContact CZ2-CG 3.66Å; W552-Q582 HydrophobicContact CH2-CB 4.14Å; W552-Q582 HydrophobicContact CZ2-CB 4.26Å; W552-M583 HydrophobicContact CH2-CB 4.21Å; W552-M583 HydrophobicContact CZ3-CB 4.27Å; W552-M583 HydrophobicContact CZ3-SD 4.29Å |
| 553 | S | 88.3 | Confident | 91.2 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.4 | -23 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | D549 F550 L551 | D549-S553 VanDerWaalsContact O-CB 3.3Å; D549-S553 WeakPolarHBondContact O-CB 3.26Å; D549-S553 PolarHBondContact O-N 3.03Å; D549-S553 PolarHBondContact O-OG 3.39Å; F550-S553 WeakPolarHBondContact CA-OG 3.29Å; F550-S553 PolarHBondContact O-N 2.87Å; F550-S553 PolarHBondContact O-OG 2.98Å; L551-S553 PolarHBondContact O-N 3.19Å |
| 554 | H | 90.3 | Very high | 91.4 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 18.2 | 177 | -60.5 | 89.6 | 0 | 0 | 0 | 113.4 | L523 F550 L551 W552 H556 Y557 C558 | L523-H554 VanDerWaalsContact CD2-CD2 3.43Å; L523-H554 WeakPolarHBondContact CD2-CD2 3.29Å; F550-H554 AromaticContact CD2-CE1 3.56Å; F550-H554 AromaticContact CD2-ND1 3.62Å; F550-H554 AromaticContact CE2-CE1 3.37Å; F550-H554 WeakPolarHBondContact CE2-CE1 3.45Å; F550-H554 AromaticContact CE2-ND1 3.58Å; F550-H554 PolarHBondContact O-N 3.39Å; F550-H554 PolarHBondContact O-ND1 3.12Å; L551-H554 CarbonylContact O-C 3.42Å; L551-H554 PolarHBondContact O-N 2.71Å; W552-H554 PolarHBondContact O-N 3.18Å; H554-H556 PolarHBondContact O-N 3.46Å; H554-H556 VanDerWaalsContact O-N 3.12Å; H554-Y557 PolarHBondContact O-N 3.08Å; H554-C558 PolarHBondContact O-N 3Å; H554-C558 VanDerWaalsContact O-N 3.13Å; H554-C558 PolarHBondContact O-SG 3.32Å |
| 555 | R | 91.2 | Very high | 91.6 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -34.8 | -173.8 | 63.4 | -169.4 | 176.2 | -83.4 | 3.8 | 114.6 | E503 L551 W552 C558 L586 | E503-R555 IonicContact OE1-NH2 3.72Å; E503-R555 IonicContact OE2-CZ 3.94Å; E503-R555 IonicContact OE2-NH2 2.78Å; E503-R555 PolarHBondContact OE2-NH2 3.11Å; L551-R555 PolarHBondContact O-N 3.25Å; W552-R555 HydrophobicContact CE3-CB 4.28Å; W552-R555 VanDerWaalsContact O-CB 3.32Å; W552-R555 WeakPolarHBondContact O-CB 3.37Å; W552-R555 VanDerWaalsContact O-CD 3.24Å; W552-R555 WeakPolarHBondContact O-CD 3.29Å; W552-R555 WeakPolarHBondContact O-CG 3.36Å; W552-R555 PolarHBondContact O-N 2.9Å; W552-R555 PolarHBondContact O-NH1 2.89Å; R555-C558 PolarHBondContact O-N 3.26Å; R555-L586 HydrophobicContact CB-CD1 3.83Å; R555-L586 HydrophobicContact CG-CD1 3.84Å |
| 556 | H | 89.1 | Confident | 92 | Very high | 49 Ų | 49 | 39.6 Ų | 39.6 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -39.3 | 178.1 | -66.4 | -67.8 | 0 | 0 | 0 | 112.4 | H554 C558 | H554-H556 PolarHBondContact O-N 3.46Å; H554-H556 VanDerWaalsContact O-N 3.12Å; H556-C558 VanDerWaalsContact C-N 3.31Å |
| 557 | Y | 89.6 | Confident | 92.4 | Very high | 61 Ų | 61 | 33.2 Ų | 33.2 | 24% | 0.239 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -67.6 | -34.1 | 175.4 | -180 | -102.1 | 0 | 0 | 0 | 112.4 | L523 N528 L531 H554 I559 N560 I561 | L523-Y557 HydrophobicContact CD1-CD1 3.61Å; L523-Y557 HydrophobicContact CD1-CD2 3.14Å; L523-Y557 HydrophobicContact CD1-CE1 3.89Å; L523-Y557 HydrophobicContact CD1-CE2 3.45Å; L523-Y557 VanDerWaalsContact CD1-CE2 3.45Å; L523-Y557 HydrophobicContact CD1-CG 3.22Å; L523-Y557 HydrophobicContact CD2-CD1 4.46Å; N528-Y557 VanDerWaalsContact OD1-CE1 3.24Å; N528-Y557 WeakPolarHBondContact OD1-CE1 3.4Å; N528-Y557 VanDerWaalsContact OD1-CZ 3.23Å; N528-Y557 PolarHBondContact OD1-OH 3.36Å; L531-Y557 HydrophobicContact CD1-CD1 3.6Å; L531-Y557 HydrophobicContact CD1-CE1 3.87Å; H554-Y557 PolarHBondContact O-N 3.08Å; Y557-I559 PolarHBondContact O-N 3.43Å; Y557-N560 WeakPolarHBondContact CD2-ND2 3.3Å; Y557-N560 VanDerWaalsContact O-CB 3.3Å; Y557-N560 WeakPolarHBondContact O-CB 3.23Å; Y557-N560 PolarHBondContact O-N 3.36Å; Y557-N560 PolarHBondContact O-ND2 3.5Å; Y557-I561 HydrophobicContact CE1-CD1 4.08Å |
| 558 | C | 92.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -62 | -17.9 | -176.5 | -66.6 | 0 | 0 | 0 | 0 | 114.7 | H554 R555 H556 N560 I561 I564 I568 W590 | H554-C558 PolarHBondContact O-N 3Å; H554-C558 VanDerWaalsContact O-N 3.13Å; H554-C558 PolarHBondContact O-SG 3.32Å; R555-C558 PolarHBondContact O-N 3.26Å; H556-C558 VanDerWaalsContact C-N 3.31Å; C558-N560 PolarHBondContact O-N 3.27Å; C558-N560 VanDerWaalsContact O-N 3.15Å; C558-I561 CarbonylContact O-C 3.59Å; C558-I561 VanDerWaalsContact O-C 3.24Å; C558-I561 WeakPolarHBondContact O-CA 3.35Å; C558-I561 PolarHBondContact O-N 2.83Å; C558-I564 HydrophobicContact CB-CG2 3.76Å; C558-I568 HydrophobicContact CB-CD1 3.18Å; C558-I568 HydrophobicContact CB-CG1 4.41Å; C558-W590 HydrophobicContact CB-CH2 3.95Å |
| 559 | I | 91.8 | Very high | 92.7 | Very high | 44 Ų | 44 | 30.4 Ų | 30.4 | 23% | 0.226 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -53.4 | -31.3 | 168.4 | -65.1 | 179.5 | 0 | 0 | 0 | 111.2 | Y557 I561 L586 W590 P591 | Y557-I559 PolarHBondContact O-N 3.43Å; I559-I561 PolarHBondContact O-N 2.95Å; I559-L586 HydrophobicContact CD1-CD2 3.82Å; I559-L586 HydrophobicContact CG1-CD2 4.44Å; I559-W590 HydrophobicContact CG1-CE3 3.94Å; I559-W590 HydrophobicContact CG1-CZ3 3.86Å; I559-P591 HydrophobicContact CG2-CG 4.11Å |
| 560 | N | 91.3 | Very high | 93.1 | Very high | 113 Ų | 113 | 28.7 Ų | 28.7 | 60% | 0.604 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -75.2 | -8.2 | 176.9 | -57.7 | -58.3 | 0 | 0 | 0 | 113.6 | Y557 C558 | Y557-N560 WeakPolarHBondContact CD2-ND2 3.3Å; Y557-N560 VanDerWaalsContact O-CB 3.3Å; Y557-N560 WeakPolarHBondContact O-CB 3.23Å; Y557-N560 PolarHBondContact O-N 3.36Å; Y557-N560 PolarHBondContact O-ND2 3.5Å; C558-N560 PolarHBondContact O-N 3.27Å; C558-N560 VanDerWaalsContact O-N 3.15Å |
| 561 | I | 94 | Very high | 93.3 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 15% | 0.154 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -126.6 | 69.8 | 175.8 | -48.4 | 175.5 | 0 | 0 | 0 | 107.7 | L531 C535 Y557 C558 I559 D563 I564 | L531-I561 HydrophobicContact CB-CD1 4.09Å; C535-I561 HydrophobicContact CB-CG2 4.46Å; Y557-I561 HydrophobicContact CE1-CD1 4.08Å; C558-I561 CarbonylContact O-C 3.59Å; C558-I561 VanDerWaalsContact O-C 3.24Å; C558-I561 WeakPolarHBondContact O-CA 3.35Å; C558-I561 PolarHBondContact O-N 2.83Å; I559-I561 PolarHBondContact O-N 2.95Å; I561-D563 PolarHBondContact O-N 2.96Å; I561-I564 HydrophobicContact CB-CG2 4.35Å; I561-I564 HydrophobicContact CG2-CB 4.25Å; I561-I564 WeakPolarHBondContact O-CB 3.42Å; I561-I564 WeakPolarHBondContact O-CG2 3.38Å; I561-I564 PolarHBondContact O-N 2.87Å |
| 562 | P | 94.9 | Very high | 93.5 | Very high | 33 Ų | 33 | 27.8 Ų | 27.8 | 21% | 0.214 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -56.3 | -30.7 | -166.4 | -27.6 | 36.6 | 0 | 0 | 0 | 114.6 | I564 L565 W590 P591 I593 | P562-I564 PolarHBondContact O-N 3.35Å; P562-L565 WeakPolarHBondContact O-CB 3.35Å; P562-L565 PolarHBondContact O-N 2.97Å; P562-W590 PolarHBondContact O-NE1 2.65Å; P562-P591 HydrophobicContact CB-CB 4.05Å; P562-P591 HydrophobicContact CB-CG 4.46Å; P562-P591 HydrophobicContact CG-CB 3.68Å; P562-P591 HydrophobicContact CG-CG 3.87Å; P562-I593 HydrophobicContact CB-CG2 3.72Å; P562-I593 WeakPolarHBondContact O-CG2 3.06Å |
| 563 | D | 93.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 30.9 Ų | 30.9 | 33% | 0.326 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -67 | -15.2 | -178.8 | -65.4 | 5.4 | 0 | 0 | 0 | 113.3 | I561 L565 P566 Q597 | I561-D563 PolarHBondContact O-N 2.96Å; D563-L565 PolarHBondContact O-N 3.15Å; D563-P566 WeakPolarHBondContact O-CD 3.38Å; D563-Q597 PolarHBondContact OD1-OE1 3.45Å; D563-Q597 PolarHBondContact OD2-NE2 3.01Å |
| 564 | I | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -77.9 | -9 | 177.1 | -154.2 | 172.8 | 0 | 0 | 0 | 112.9 | L531 C535 L551 C558 I561 P562 P566 K567 I568 W590 | L531-I564 HydrophobicContact CB-CD1 4.39Å; L531-I564 HydrophobicContact CD2-CD1 4Å; C535-I564 HydrophobicContact CB-CB 4.14Å; C535-I564 HydrophobicContact CB-CD1 4.14Å; C535-I564 HydrophobicContact CB-CG1 3.9Å; L551-I564 HydrophobicContact CD2-CD1 3.61Å; L551-I564 HydrophobicContact CD2-CG1 4.26Å; C558-I564 HydrophobicContact CB-CG2 3.76Å; I561-I564 HydrophobicContact CB-CG2 4.35Å; I561-I564 HydrophobicContact CG2-CB 4.25Å; I561-I564 WeakPolarHBondContact O-CB 3.42Å; I561-I564 WeakPolarHBondContact O-CG2 3.38Å; I561-I564 PolarHBondContact O-N 2.87Å; P562-I564 PolarHBondContact O-N 3.35Å; I564-P566 VanDerWaalsContact C-CD 3.42Å; I564-K567 HydrophobicContact CG1-CB 4.24Å; I564-K567 WeakPolarHBondContact O-CB 3.34Å; I564-K567 PolarHBondContact O-N 3.03Å; I564-I568 HydrophobicContact CG2-CD1 3.86Å; I564-I568 HydrophobicContact CG2-CG1 4.26Å; I564-I568 PolarHBondContact O-N 3.22Å; I564-W590 HydrophobicContact CG2-CH2 4.34Å; I564-W590 HydrophobicContact CG2-CZ2 4.27Å |
| 565 | L | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -47.1 | -47.9 | -174.4 | 179.4 | 60.1 | 0 | 0 | 0 | 114.1 | P562 D563 K567 I568 L569 M583 L587 W590 L601 F614 | P562-L565 WeakPolarHBondContact O-CB 3.35Å; P562-L565 PolarHBondContact O-N 2.97Å; D563-L565 PolarHBondContact O-N 3.15Å; L565-K567 PolarHBondContact O-N 2.88Å; L565-I568 PolarHBondContact O-N 2.76Å; L565-I568 VanDerWaalsContact O-N 3.14Å; L565-L569 HydrophobicContact CD1-CD1 3.87Å; L565-L569 HydrophobicContact CD1-CD2 4.2Å; L565-L569 HydrophobicContact CD1-CG 3.81Å; L565-L569 HydrophobicContact CD2-CD1 4.38Å; L565-L569 HydrophobicContact CG-CD1 3.72Å; L565-L569 HydrophobicContact CG-CG 4.16Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.44Å; L565-L569 PolarHBondContact O-N 2.94Å; L565-M583 HydrophobicContact CD1-CE 3.7Å; L565-L587 HydrophobicContact CD1-CD1 4.17Å; L565-L587 HydrophobicContact CD2-CD1 3.88Å; L565-W590 HydrophobicContact CB-CZ2 3.64Å; L565-W590 HydrophobicContact CD1-CD2 3.84Å; L565-W590 HydrophobicContact CD1-CE3 4.05Å; L565-W590 HydrophobicContact CD1-CG 4.39Å; L565-W590 HydrophobicContact CD1-CH2 4.24Å; L565-W590 HydrophobicContact CD1-CZ2 4.01Å; L565-W590 HydrophobicContact CD1-CZ3 4.24Å; L565-W590 HydrophobicContact CD2-CD2 4.38Å; L565-W590 HydrophobicContact CD2-CG 4.17Å; L565-W590 HydrophobicContact CG-CD2 4.46Å; L565-W590 HydrophobicContact CG-CZ2 4.35Å; L565-L601 HydrophobicContact CD2-CD1 3.85Å; L565-F614 HydrophobicContact CD2-CD1 3.84Å; L565-F614 HydrophobicContact CD2-CE1 3.4Å; L565-F614 HydrophobicContact CD2-CZ 3.97Å |
| 566 | P | 96.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.5 | -36.1 | 179.8 | -21.7 | 32.4 | 0 | 0 | 0 | 112.8 | D563 I564 L569 L570 E600 L601 F606 | D563-P566 WeakPolarHBondContact O-CD 3.38Å; I564-P566 VanDerWaalsContact C-CD 3.42Å; P566-L569 PolarHBondContact O-N 2.72Å; P566-L570 WeakPolarHBondContact O-CG 3.47Å; P566-L570 PolarHBondContact O-N 3.5Å; P566-E600 HydrophobicContact CB-CG 4.38Å; P566-E600 WeakPolarHBondContact CB-OE1 3.31Å; P566-L601 HydrophobicContact CB-CD2 4.08Å; P566-L601 HydrophobicContact CG-CD2 3.94Å; P566-F606 HydrophobicContact CB-CZ 3.99Å |
| 567 | K | 96.4 | Very high | 94.9 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.3 | -36.2 | -179.1 | -54.9 | -66.4 | 176.3 | -82.7 | 0 | 111.8 | V534 I543 L551 I564 L565 L570 A571 E600 | V534-K567 HydrophobicContact CG1-CB 4.3Å; V534-K567 HydrophobicContact CG1-CG 4.37Å; I543-K567 HydrophobicContact CD1-CB 4.13Å; I543-K567 HydrophobicContact CD1-CD 3.56Å; I543-K567 HydrophobicContact CD1-CG 4.45Å; I543-K567 HydrophobicContact CG1-CD 4.38Å; L551-K567 HydrophobicContact CD1-CB 4.09Å; I564-K567 HydrophobicContact CG1-CB 4.24Å; I564-K567 WeakPolarHBondContact O-CB 3.34Å; I564-K567 PolarHBondContact O-N 3.03Å; L565-K567 PolarHBondContact O-N 2.88Å; K567-L570 PolarHBondContact O-N 3.33Å; K567-A571 PolarHBondContact O-N 3.35Å; K567-E600 IonicContact NZ-OE1 3.94Å |
| 568 | I | 95.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.7 | -42.5 | 173.1 | -66.1 | 178.3 | 0 | 0 | 0 | 111.1 | L551 C558 I564 L565 L570 A571 V572 M583 W590 | L551-I568 HydrophobicContact CB-CG1 4.47Å; L551-I568 HydrophobicContact CD2-CG1 4.45Å; C558-I568 HydrophobicContact CB-CD1 3.18Å; C558-I568 HydrophobicContact CB-CG1 4.41Å; I564-I568 HydrophobicContact CG2-CD1 3.86Å; I564-I568 HydrophobicContact CG2-CG1 4.26Å; I564-I568 PolarHBondContact O-N 3.22Å; L565-I568 PolarHBondContact O-N 2.76Å; L565-I568 VanDerWaalsContact O-N 3.14Å; I568-L570 PolarHBondContact O-N 2.65Å; I568-A571 CarbonylContact O-C 3.53Å; I568-A571 WeakPolarHBondContact O-CA 3.18Å; I568-A571 WeakPolarHBondContact O-CB 3.42Å; I568-A571 PolarHBondContact O-N 2.65Å; I568-V572 WeakPolarHBondContact O-CG2 3.3Å; I568-V572 PolarHBondContact O-N 3.3Å; I568-V572 VanDerWaalsContact O-N 3.08Å; I568-M583 HydrophobicContact CG2-SD 3.89Å; I568-W590 HydrophobicContact CD1-CH2 3.57Å; I568-W590 HydrophobicContact CD1-CZ3 4.16Å |
| 569 | L | 97.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -30.9 | 179.9 | -69.8 | 171.2 | 0 | 0 | 0 | 112.2 | L565 P566 A571 W574 M583 L601 F606 I611 | L565-L569 HydrophobicContact CD1-CD1 3.87Å; L565-L569 HydrophobicContact CD1-CD2 4.2Å; L565-L569 HydrophobicContact CD1-CG 3.81Å; L565-L569 HydrophobicContact CD2-CD1 4.38Å; L565-L569 HydrophobicContact CG-CD1 3.72Å; L565-L569 HydrophobicContact CG-CG 4.16Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.44Å; L565-L569 PolarHBondContact O-N 2.94Å; P566-L569 PolarHBondContact O-N 2.72Å; L569-A571 VanDerWaalsContact C-N 3.34Å; L569-W574 HydrophobicContact CD2-CZ2 4.47Å; L569-W574 PolarHBondContact O-NE1 2.82Å; L569-M583 HydrophobicContact CD2-CE 3.75Å; L569-M583 HydrophobicContact CD2-CG 3.84Å; L569-M583 HydrophobicContact CD2-SD 3.96Å; L569-L601 HydrophobicContact CD1-CD2 3.59Å; L569-F606 HydrophobicContact CB-CD1 4.01Å; L569-F606 HydrophobicContact CB-CE1 3.63Å; L569-F606 HydrophobicContact CD1-CD1 4.09Å; L569-F606 HydrophobicContact CD1-CE1 4.14Å; L569-I611 HydrophobicContact CB-CD1 4.4Å; L569-I611 HydrophobicContact CD1-CD1 3.88Å; L569-I611 HydrophobicContact CD1-CG1 4.11Å; L569-I611 HydrophobicContact CD1-CG2 3.81Å; L569-I611 HydrophobicContact CD2-CD1 3.54Å; L569-I611 HydrophobicContact CD2-CG1 3.87Å; L569-I611 HydrophobicContact CG-CD1 4.12Å |
| 570 | L | 95.1 | Very high | 95.7 | Very high | 48 Ų | 48 | 30.3 Ų | 30.3 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -15.4 | 170.7 | -65.5 | 173.4 | 0 | 0 | 0 | 113.9 | I543 K548 P566 K567 I568 F606 | I543-L570 HydrophobicContact CD1-CB 4.22Å; I543-L570 HydrophobicContact CD1-CD1 4.05Å; K548-L570 WeakPolarHBondContact CE-O 3.31Å; P566-L570 WeakPolarHBondContact O-CG 3.47Å; P566-L570 PolarHBondContact O-N 3.5Å; K567-L570 PolarHBondContact O-N 3.33Å; I568-L570 PolarHBondContact O-N 2.65Å; L570-F606 HydrophobicContact CD1-CZ 4.42Å; L570-F606 HydrophobicContact CD2-CE1 4.17Å; L570-F606 HydrophobicContact CD2-CZ 4.15Å; L570-F606 HydrophobicContact CG-CE1 4.14Å; L570-F606 HydrophobicContact CG-CZ 4.06Å |
| 571 | A | 95.2 | Very high | 96 | Very high | 5 Ų | 5 | 25 Ų | 25 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -18.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K548 L551 K567 I568 L569 | K548-A571 HydrophobicContact CB-CB 3.8Å; K548-A571 HydrophobicContact CG-CB 3.99Å; L551-A571 HydrophobicContact CB-CB 4.06Å; L551-A571 HydrophobicContact CD1-CB 4.21Å; K567-A571 PolarHBondContact O-N 3.35Å; I568-A571 CarbonylContact O-C 3.53Å; I568-A571 WeakPolarHBondContact O-CA 3.18Å; I568-A571 WeakPolarHBondContact O-CB 3.42Å; I568-A571 PolarHBondContact O-N 2.65Å; L569-A571 VanDerWaalsContact C-N 3.34Å |
| 572 | V | 96.1 | Very high | 96 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -64.9 | 131.6 | 175.9 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | W552 I568 W574 E579 V580 M583 | W552-V572 HydrophobicContact CE3-CG2 4Å; W552-V572 HydrophobicContact CH2-CG2 4.39Å; W552-V572 HydrophobicContact CZ3-CG2 3.6Å; I568-V572 WeakPolarHBondContact O-CG2 3.3Å; I568-V572 PolarHBondContact O-N 3.3Å; I568-V572 VanDerWaalsContact O-N 3.08Å; V572-W574 HydrophobicContact CB-CZ2 4.39Å; V572-W574 HydrophobicContact CG1-CD2 4.15Å; V572-W574 HydrophobicContact CG1-CG 4.45Å; V572-W574 HydrophobicContact CG1-CZ2 4.32Å; V572-W574 VanDerWaalsContact O-CD1 3.28Å; V572-W574 PolarHBondContact O-N 2.85Å; V572-W574 VanDerWaalsContact O-N 3.12Å; V572-E579 HydrophobicContact CG1-CB 4.41Å; V572-V580 HydrophobicContact CG1-CG2 4.12Å; V572-M583 HydrophobicContact CG2-CB 4.04Å; V572-M583 HydrophobicContact CG2-CG 3.83Å; V572-M583 HydrophobicContact CG2-SD 4.04Å |
| 573 | K | 95.9 | Very high | 96.1 | Very high | 87 Ų | 87 | 22.2 Ų | 22.2 | 38% | 0.378 | 11% | 0.111 | S | C | . | . | trans | -78.8 | 95.5 | 168.8 | -65 | 178.1 | -174.2 | 159.7 | 0 | 109.8 | D549 N575 S576 E579 | D549-K573 IonicContact OD1-NZ 3.53Å; K573-N575 PolarHBondContact O-N 3Å; K573-N575 VanDerWaalsContact O-N 3.11Å; K573-S576 WeakPolarHBondContact O-CB 3.24Å; K573-S576 PolarHBondContact O-N 3.32Å; K573-E579 WeakPolarHBondContact CB-OE2 3.4Å; K573-E579 PolarHBondContact N-OE2 3.22Å | ||
| 574 | W | 97 | Very high | 96.3 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 3% | 0.03 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.8 | -178 | -71.2 | 100.4 | 0 | 0 | 0 | 114.6 | H362 L367 P397 L569 V572 S576 V580 Y584 D608 I611 | H362-W574 HydrophobicContact CB-CB 4.38Å; H362-W574 AromaticContact CE1-CD2 3.27Å; H362-W574 AromaticContact CE1-CE2 3.47Å; H362-W574 VanDerWaalsContact CE1-CE2 3.47Å; H362-W574 AromaticContact CE1-CE3 3.53Å; H362-W574 AromaticContact CE1-CG 3.7Å; H362-W574 AromaticContact CE1-CZ2 3.93Å; H362-W574 AromaticContact CE1-CZ3 3.95Å; H362-W574 AromaticContact CE1-NE1 3.92Å; H362-W574 AromaticContact ND1-CD1 3.75Å; H362-W574 AromaticContact ND1-CD2 3.65Å; H362-W574 AromaticContact ND1-CE2 3.99Å; H362-W574 AromaticContact ND1-CG 3.54Å; H362-W574 AromaticContact NE2-CD2 3.74Å; H362-W574 AromaticContact NE2-CE3 3.5Å; H362-W574 AromaticContact NE2-CZ3 3.84Å; L367-W574 HydrophobicContact CD2-CB 3.76Å; P397-W574 HydrophobicContact CB-CE3 4.26Å; P397-W574 WeakPolarHBondContact CB-O 3.35Å; P397-W574 WeakPolarHBondContact CD-O 3.08Å; P397-W574 VanDerWaalsContact CG-O 3.3Å; P397-W574 WeakPolarHBondContact CG-O 3.46Å; L569-W574 HydrophobicContact CD2-CZ2 4.47Å; L569-W574 PolarHBondContact O-NE1 2.82Å; V572-W574 HydrophobicContact CB-CZ2 4.39Å; V572-W574 HydrophobicContact CG1-CD2 4.15Å; V572-W574 HydrophobicContact CG1-CG 4.45Å; V572-W574 HydrophobicContact CG1-CZ2 4.32Å; V572-W574 VanDerWaalsContact O-CD1 3.28Å; V572-W574 PolarHBondContact O-N 2.85Å; V572-W574 VanDerWaalsContact O-N 3.12Å; W574-S576 VanDerWaalsContact C-N 3.29Å; W574-V580 HydrophobicContact CD2-CG2 4.36Å; W574-V580 HydrophobicContact CE3-CG1 4.27Å; W574-V580 HydrophobicContact CE3-CG2 3.66Å; W574-V580 HydrophobicContact CZ3-CG1 3.93Å; W574-V580 HydrophobicContact CZ3-CG2 4.07Å; W574-Y584 HydrophobicContact CH2-CE1 4.5Å; W574-Y584 HydrophobicContact CZ3-CE1 4.25Å; W574-D608 HydrophobicContact CH2-CB 3.94Å; W574-D608 HydrophobicContact CZ3-CB 4.12Å; W574-I611 HydrophobicContact CH2-CD1 3.67Å; W574-I611 HydrophobicContact CZ2-CD1 3.65Å |
| 575 | N | 95.6 | Very high | 96.3 | Very high | 74 Ų | 74 | 20.9 Ų | 20.9 | 40% | 0.396 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 17.5 | 170.1 | 63.5 | 0.2 | 0 | 0 | 0 | 113.4 | L367 M391 E395 K573 | L367-N575 HydrophobicContact CB-CB 4.36Å; L367-N575 HydrophobicContact CD2-CB 4.39Å; L367-N575 PolarHBondContact O-ND2 3.47Å; M391-N575 HydrophobicContact CE-CB 3.46Å; M391-N575 VanDerWaalsContact CE-CB 3.46Å; E395-N575 WeakPolarHBondContact CB-O 3.39Å; K573-N575 PolarHBondContact O-N 3Å; K573-N575 VanDerWaalsContact O-N 3.11Å |
| 576 | S | 96.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 21.4 Ų | 21.4 | 20% | 0.196 | 11% | 0.108 | C | C | . | . | trans | -130.5 | 106.7 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | E395 K573 W574 D578 E579 V580 | E395-S576 WeakPolarHBondContact OE2-CA 3.44Å; K573-S576 WeakPolarHBondContact O-CB 3.24Å; K573-S576 PolarHBondContact O-N 3.32Å; W574-S576 VanDerWaalsContact C-N 3.29Å; S576-D578 PolarHBondContact O-N 3.16Å; S576-E579 PolarHBondContact O-N 2.72Å; S576-E579 VanDerWaalsContact O-N 3.15Å; S576-V580 WeakPolarHBondContact O-CG2 3.12Å; S576-V580 PolarHBondContact O-N 3.31Å | ||
| 577 | R | 96.4 | Very high | 96.1 | Very high | 61 Ų | 61 | 21.7 Ų | 21.7 | 23% | 0.23 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.5 | -28.3 | 176.5 | 74.7 | -178 | 175.4 | 169.3 | -3.8 | 112.1 | W328 T394 E395 E579 A581 | W328-R577 VanDerWaalsContact CB-NH1 3.31Å; W328-R577 VanDerWaalsContact CG-NH1 3.27Å; W328-R577 HydrophobicContact CZ2-CB 4.11Å; T394-R577 WeakPolarHBondContact O-CD 3.11Å; E395-R577 WeakPolarHBondContact OE1-CD 3.4Å; E395-R577 IonicContact OE1-NE 3.47Å; E395-R577 PolarHBondContact OE1-NE 2.86Å; E395-R577 WeakPolarHBondContact OE2-CG 3.33Å; E395-R577 PolarHBondContact OE2-N 3.13Å; R577-E579 VanDerWaalsContact C-N 3.33Å; R577-A581 WeakPolarHBondContact O-CB 3.34Å; R577-A581 PolarHBondContact O-N 3.46Å |
| 578 | D | 95.1 | Very high | 95.8 | Very high | 36 Ų | 36 | 27.3 Ų | 27.3 | 19% | 0.193 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 178.8 | -88.5 | 16.6 | 0 | 0 | 0 | 111.2 | H495 N499 R502 S576 Q582 | H495-D578 IonicContact CD2-OD1 3.9Å; H495-D578 IonicContact CE1-OD1 3.4Å; H495-D578 PolarHBondContact CE1-OD1 3.46Å; H495-D578 IonicContact NE2-OD1 2.72Å; H495-D578 PolarHBondContact NE2-OD1 3.48Å; N499-D578 WeakPolarHBondContact ND2-CA 3.37Å; N499-D578 WeakPolarHBondContact ND2-CB 3.26Å; N499-D578 PolarHBondContact ND2-O 2.69Å; N499-D578 VanDerWaalsContact ND2-O 3.1Å; R502-D578 IonicContact CZ-OD2 3.91Å; R502-D578 IonicContact NH2-OD2 2.86Å; R502-D578 PolarHBondContact NH2-OD2 2.94Å; S576-D578 PolarHBondContact O-N 3.16Å; D578-Q582 WeakPolarHBondContact O-CG 3.26Å; D578-Q582 PolarHBondContact O-NE2 2.96Å |
| 579 | E | 96 | Very high | 95.6 | Very high | 28 Ų | 28 | 33 Ų | 33 | 13% | 0.131 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -82.4 | -44.7 | 175.7 | -68 | -172.1 | -158.6 | 0 | 0 | 111.8 | W552 V572 K573 S576 R577 A581 Q582 M583 | W552-E579 HydrophobicContact CH2-CB 4.05Å; W552-E579 VanDerWaalsContact CH2-O 3.31Å; W552-E579 WeakPolarHBondContact CH2-O 3.48Å; W552-E579 HydrophobicContact CZ2-CB 3.54Å; W552-E579 HydrophobicContact CZ2-CG 3.66Å; V572-E579 HydrophobicContact CG1-CB 4.41Å; K573-E579 WeakPolarHBondContact CB-OE2 3.4Å; K573-E579 PolarHBondContact N-OE2 3.22Å; S576-E579 PolarHBondContact O-N 2.72Å; S576-E579 VanDerWaalsContact O-N 3.15Å; R577-E579 VanDerWaalsContact C-N 3.33Å; E579-A581 VanDerWaalsContact C-N 3.31Å; E579-A581 PolarHBondContact O-N 2.77Å; E579-Q582 WeakPolarHBondContact O-CB 3.38Å; E579-Q582 PolarHBondContact O-N 3.14Å; E579-Q582 VanDerWaalsContact O-N 3.1Å; E579-M583 PolarHBondContact O-N 3.31Å |
| 580 | V | 97.8 | Very high | 95.6 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.2 | -42.8 | -179.7 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | V572 W574 S576 Q582 M583 Y584 | V572-V580 HydrophobicContact CG1-CG2 4.12Å; W574-V580 HydrophobicContact CD2-CG2 4.36Å; W574-V580 HydrophobicContact CE3-CG1 4.27Å; W574-V580 HydrophobicContact CE3-CG2 3.66Å; W574-V580 HydrophobicContact CZ3-CG1 3.93Å; W574-V580 HydrophobicContact CZ3-CG2 4.07Å; S576-V580 WeakPolarHBondContact O-CG2 3.12Å; S576-V580 PolarHBondContact O-N 3.31Å; V580-Q582 VanDerWaalsContact C-N 3.34Å; V580-Q582 PolarHBondContact O-N 2.85Å; V580-M583 PolarHBondContact O-N 3.47Å; V580-Y584 HydrophobicContact CG1-CD1 4.15Å; V580-Y584 HydrophobicContact CG1-CE1 3.72Å; V580-Y584 HydrophobicContact CG1-CE2 4.33Å; V580-Y584 WeakPolarHBondContact O-CD1 3.25Å; V580-Y584 PolarHBondContact O-N 2.87Å |
| 581 | A | 97.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I492 A496 R577 E579 Y584 C585 | I492-A581 HydrophobicContact CG2-CB 3.64Å; A496-A581 HydrophobicContact CB-CB 3.98Å; R577-A581 WeakPolarHBondContact O-CB 3.34Å; R577-A581 PolarHBondContact O-N 3.46Å; E579-A581 VanDerWaalsContact C-N 3.31Å; E579-A581 PolarHBondContact O-N 2.77Å; A581-Y584 PolarHBondContact O-N 2.72Å; A581-C585 PolarHBondContact O-N 3.09Å; A581-C585 PolarHBondContact O-SG 2.74Å |
| 582 | Q | 95.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 175.2 | -68.2 | -174.9 | 62.8 | 0 | 0 | 111.6 | A496 N499 I500 E503 W552 D578 E579 V580 Y584 C585 L586 | A496-Q582 HydrophobicContact CB-CG 4.39Å; N499-Q582 PolarHBondContact ND2-NE2 3.33Å; I500-Q582 HydrophobicContact CD1-CG 4.3Å; I500-Q582 HydrophobicContact CG1-CG 4.06Å; E503-Q582 PolarHBondContact OE1-NE2 2.85Å; W552-Q582 HydrophobicContact CH2-CB 4.14Å; W552-Q582 HydrophobicContact CZ2-CB 4.26Å; D578-Q582 WeakPolarHBondContact O-CG 3.26Å; D578-Q582 PolarHBondContact O-NE2 2.96Å; E579-Q582 WeakPolarHBondContact O-CB 3.38Å; E579-Q582 PolarHBondContact O-N 3.14Å; E579-Q582 VanDerWaalsContact O-N 3.1Å; V580-Q582 VanDerWaalsContact C-N 3.34Å; V580-Q582 PolarHBondContact O-N 2.85Å; Q582-Y584 VanDerWaalsContact C-N 3.33Å; Q582-Y584 PolarHBondContact O-N 3.12Å; Q582-C585 PolarHBondContact O-N 3.27Å; Q582-L586 WeakPolarHBondContact O-CG 3.49Å; Q582-L586 PolarHBondContact O-N 2.88Å |
| 583 | M | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 177.1 | -173.1 | 63.6 | -130.7 | 0 | 0 | 111.8 | W552 L565 I568 L569 V572 E579 V580 C585 L586 L587 | W552-M583 HydrophobicContact CH2-CB 4.21Å; W552-M583 HydrophobicContact CZ3-CB 4.27Å; W552-M583 HydrophobicContact CZ3-SD 4.29Å; L565-M583 HydrophobicContact CD1-CE 3.7Å; I568-M583 HydrophobicContact CG2-SD 3.89Å; L569-M583 HydrophobicContact CD2-CE 3.75Å; L569-M583 HydrophobicContact CD2-CG 3.84Å; L569-M583 HydrophobicContact CD2-SD 3.96Å; V572-M583 HydrophobicContact CG2-CB 4.04Å; V572-M583 HydrophobicContact CG2-CG 3.83Å; V572-M583 HydrophobicContact CG2-SD 4.04Å; E579-M583 PolarHBondContact O-N 3.31Å; V580-M583 PolarHBondContact O-N 3.47Å; M583-C585 VanDerWaalsContact C-N 3.32Å; M583-C585 PolarHBondContact O-N 2.94Å; M583-L586 HydrophobicContact CE-CB 4.1Å; M583-L586 PolarHBondContact O-N 2.91Å; M583-L586 HydrophobicContact SD-CB 4.48Å; M583-L586 HydrophobicContact SD-CD1 4.28Å; M583-L587 HydrophobicContact CE-CB 4.11Å; M583-L587 HydrophobicContact CE-CD1 4.47Å; M583-L587 WeakPolarHBondContact O-CB 3.26Å; M583-L587 PolarHBondContact O-N 3.19Å |
| 584 | Y | 97.5 | Very high | 95.9 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 175.6 | -76.9 | 10 | 0 | 0 | 0 | 112 | M489 I492 W574 V580 A581 Q582 L587 K588 D608 M610 | M489-Y584 HydrophobicContact CE-CD2 4.42Å; M489-Y584 HydrophobicContact SD-CD2 4.04Å; I492-Y584 HydrophobicContact CD1-CD2 4.08Å; I492-Y584 HydrophobicContact CD1-CE2 4.13Å; I492-Y584 HydrophobicContact CG2-CD2 4Å; W574-Y584 HydrophobicContact CH2-CE1 4.5Å; W574-Y584 HydrophobicContact CZ3-CE1 4.25Å; V580-Y584 HydrophobicContact CG1-CD1 4.15Å; V580-Y584 HydrophobicContact CG1-CE1 3.72Å; V580-Y584 HydrophobicContact CG1-CE2 4.33Å; V580-Y584 WeakPolarHBondContact O-CD1 3.25Å; V580-Y584 PolarHBondContact O-N 2.87Å; A581-Y584 PolarHBondContact O-N 2.72Å; Q582-Y584 VanDerWaalsContact C-N 3.33Å; Q582-Y584 PolarHBondContact O-N 3.12Å; Y584-L587 PolarHBondContact O-N 3.02Å; Y584-K588 PolarHBondContact O-N 3.49Å; Y584-K588 VanDerWaalsContact O-N 3.14Å; Y584-D608 WeakPolarHBondContact CE1-OD1 3.33Å; Y584-D608 WeakPolarHBondContact CE1-OD2 3.48Å; Y584-D608 PolarHBondContact OH-OD2 3.21Å; Y584-M610 HydrophobicContact CD1-CB 4.24Å; Y584-M610 HydrophobicContact CD1-CG 4.18Å; Y584-M610 HydrophobicContact CD2-CG 4.03Å; Y584-M610 HydrophobicContact CE1-CB 4.15Å; Y584-M610 HydrophobicContact CE1-CG 4.04Å; Y584-M610 HydrophobicContact CE2-CG 3.92Å; Y584-M610 HydrophobicContact CG-CG 4.18Å |
| 585 | C | 94.8 | Very high | 95.9 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 173.6 | -66.8 | 0 | 0 | 0 | 0 | 112 | A496 A581 Q582 M583 L587 K588 | A496-C585 VanDerWaalsContact CB-SG 3.57Å; A581-C585 PolarHBondContact O-N 3.09Å; A581-C585 PolarHBondContact O-SG 2.74Å; Q582-C585 PolarHBondContact O-N 3.27Å; M583-C585 VanDerWaalsContact C-N 3.32Å; M583-C585 PolarHBondContact O-N 2.94Å; C585-L587 VanDerWaalsContact C-N 3.32Å; C585-L587 PolarHBondContact O-N 3.1Å; C585-K588 WeakPolarHBondContact O-CB 3.43Å; C585-K588 PolarHBondContact O-N 2.76Å |
| 586 | L | 94.5 | Very high | 95.9 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 175.8 | -70.4 | 170.7 | 0 | 0 | 0 | 111.9 | R555 I559 Q582 M583 K588 D589 W590 | R555-L586 HydrophobicContact CB-CD1 3.83Å; R555-L586 HydrophobicContact CG-CD1 3.84Å; I559-L586 HydrophobicContact CD1-CD2 3.82Å; I559-L586 HydrophobicContact CG1-CD2 4.44Å; Q582-L586 WeakPolarHBondContact O-CG 3.49Å; Q582-L586 PolarHBondContact O-N 2.88Å; M583-L586 HydrophobicContact CE-CB 4.1Å; M583-L586 PolarHBondContact O-N 2.91Å; M583-L586 HydrophobicContact SD-CB 4.48Å; M583-L586 HydrophobicContact SD-CD1 4.28Å; L586-K588 VanDerWaalsContact C-N 3.34Å; L586-K588 PolarHBondContact O-N 3.21Å; L586-D589 PolarHBondContact O-N 3.25Å; L586-W590 PolarHBondContact O-N 3.05Å |
| 587 | L | 95.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.1 | -35 | -177.2 | -170.9 | 66.1 | 0 | 0 | 0 | 112.4 | L565 M583 Y584 C585 D589 W590 M610 I611 F614 | L565-L587 HydrophobicContact CD1-CD1 4.17Å; L565-L587 HydrophobicContact CD2-CD1 3.88Å; M583-L587 HydrophobicContact CE-CB 4.11Å; M583-L587 HydrophobicContact CE-CD1 4.47Å; M583-L587 WeakPolarHBondContact O-CB 3.26Å; M583-L587 PolarHBondContact O-N 3.19Å; Y584-L587 PolarHBondContact O-N 3.02Å; C585-L587 VanDerWaalsContact C-N 3.32Å; C585-L587 PolarHBondContact O-N 3.1Å; L587-D589 PolarHBondContact O-N 3.47Å; L587-W590 HydrophobicContact CD1-CB 4.3Å; L587-W590 WeakPolarHBondContact O-CB 3.06Å; L587-W590 PolarHBondContact O-N 2.75Å; L587-W590 VanDerWaalsContact O-N 3.16Å; L587-M610 VanDerWaalsContact CD2-C 3.43Å; L587-M610 HydrophobicContact CD2-CB 3.93Å; L587-M610 WeakPolarHBondContact CD2-O 3.26Å; L587-I611 HydrophobicContact CD2-CG1 4.1Å; L587-F614 HydrophobicContact CD1-CB 3.92Å; L587-F614 HydrophobicContact CD1-CD1 4.04Å; L587-F614 HydrophobicContact CD1-CD2 3.99Å; L587-F614 HydrophobicContact CD1-CG 3.7Å; L587-F614 HydrophobicContact CD2-CB 4.15Å; L587-F614 HydrophobicContact CG-CB 4.06Å; L587-F614 HydrophobicContact CG-CD2 4.48Å; L587-F614 HydrophobicContact CG-CG 4.29Å |
| 588 | K | 91.3 | Very high | 95.9 | Very high | 127 Ų | 127 | 34.8 Ų | 34.8 | 55% | 0.552 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -57.6 | -37.3 | 176.4 | -173.7 | -179.2 | -179.2 | 178.7 | 0 | 112.2 | E493 Y584 C585 L586 | E493-K588 IonicContact OE1-NZ 2.89Å; E493-K588 PolarHBondContact OE1-NZ 3.21Å; E493-K588 IonicContact OE2-NZ 3.34Å; Y584-K588 PolarHBondContact O-N 3.49Å; Y584-K588 VanDerWaalsContact O-N 3.14Å; C585-K588 WeakPolarHBondContact O-CB 3.43Å; C585-K588 PolarHBondContact O-N 2.76Å; L586-K588 VanDerWaalsContact C-N 3.34Å; L586-K588 PolarHBondContact O-N 3.21Å |
| 589 | D | 90.9 | Very high | 96 | Very high | 122 Ų | 122 | 33.1 Ų | 33.1 | 65% | 0.652 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 4.4 | -179.6 | -62.5 | -36.5 | 0 | 0 | 0 | 113 | L586 L587 | L586-D589 PolarHBondContact O-N 3.25Å; L587-D589 PolarHBondContact O-N 3.47Å |
| 590 | W | 96.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 5% | 0.045 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 133.8 | -175.1 | -161.2 | -85.5 | 0 | 0 | 0 | 111.6 | C558 I559 P562 I564 L565 I568 L586 L587 A592 F614 | C558-W590 HydrophobicContact CB-CH2 3.95Å; I559-W590 HydrophobicContact CG1-CE3 3.94Å; I559-W590 HydrophobicContact CG1-CZ3 3.86Å; P562-W590 PolarHBondContact O-NE1 2.65Å; I564-W590 HydrophobicContact CG2-CH2 4.34Å; I564-W590 HydrophobicContact CG2-CZ2 4.27Å; L565-W590 HydrophobicContact CB-CZ2 3.64Å; L565-W590 HydrophobicContact CD1-CD2 3.84Å; L565-W590 HydrophobicContact CD1-CE3 4.05Å; L565-W590 HydrophobicContact CD1-CG 4.39Å; L565-W590 HydrophobicContact CD1-CH2 4.24Å; L565-W590 HydrophobicContact CD1-CZ2 4.01Å; L565-W590 HydrophobicContact CD1-CZ3 4.24Å; L565-W590 HydrophobicContact CD2-CD2 4.38Å; L565-W590 HydrophobicContact CD2-CG 4.17Å; L565-W590 HydrophobicContact CG-CD2 4.46Å; L565-W590 HydrophobicContact CG-CZ2 4.35Å; I568-W590 HydrophobicContact CD1-CH2 3.57Å; I568-W590 HydrophobicContact CD1-CZ3 4.16Å; L586-W590 PolarHBondContact O-N 3.05Å; L587-W590 HydrophobicContact CD1-CB 4.3Å; L587-W590 WeakPolarHBondContact O-CB 3.06Å; L587-W590 PolarHBondContact O-N 2.75Å; L587-W590 VanDerWaalsContact O-N 3.16Å; W590-A592 PolarHBondContact O-N 3.44Å; W590-F614 HydrophobicContact CB-CE2 4Å; W590-F614 HydrophobicContact CB-CZ 4.46Å; W590-F614 AromaticContact CD1-CZ 3.65Å; W590-F614 HydrophobicContact CG-CE2 4.39Å; W590-F614 HydrophobicContact CG-CZ 4.38Å |
| 591 | P | 97.4 | Very high | 96.2 | Very high | 49 Ų | 49 | 31.8 Ų | 31.8 | 32% | 0.318 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -64.4 | 136.7 | 178.1 | -23.5 | 34.6 | 0 | 0 | 0 | 111.7 | I559 P562 I593 | I559-P591 HydrophobicContact CG2-CG 4.11Å; P562-P591 HydrophobicContact CB-CB 4.05Å; P562-P591 HydrophobicContact CB-CG 4.46Å; P562-P591 HydrophobicContact CG-CB 3.68Å; P562-P591 HydrophobicContact CG-CG 3.87Å; P591-I593 PolarHBondContact O-N 2.71Å |
| 592 | A | 96.6 | Very high | 96.2 | Very high | 42 Ų | 42 | 31.8 Ų | 31.8 | 35% | 0.347 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -61.4 | 136.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W590 Y622 | W590-A592 PolarHBondContact O-N 3.44Å; A592-Y622 HydrophobicContact CB-CE2 3.67Å |
| 593 | I | 97.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | trans | -104.6 | 172.2 | -176.4 | 61.5 | 179.5 | 0 | 0 | 0 | 111.6 | P562 P591 Q597 A598 L601 F614 | P562-I593 HydrophobicContact CB-CG2 3.72Å; P562-I593 WeakPolarHBondContact O-CG2 3.06Å; P591-I593 PolarHBondContact O-N 2.71Å; I593-Q597 HydrophobicContact CD1-CB 4.04Å; I593-Q597 HydrophobicContact CG1-CB 4.46Å; I593-A598 HydrophobicContact CD1-CB 4.2Å; I593-A598 HydrophobicContact CG1-CB 4Å; I593-L601 HydrophobicContact CD1-CD1 4.04Å; I593-F614 HydrophobicContact CD1-CE1 4.01Å; I593-F614 HydrophobicContact CG1-CE1 4.01Å; I593-F614 HydrophobicContact CG1-CZ 4.31Å | ||
| 594 | K | 96.6 | Very high | 96.2 | Very high | 131 Ų | 131 | 32.1 Ų | 32.1 | 57% | 0.57 | 17% | 0.166 | S | C | * | . | trans | -66.7 | 148.5 | 179.1 | -64 | 173.6 | -177.2 | 163.6 | 0 | 111.1 | E596 Q597 A598 | K594-E596 VanDerWaalsContact C-N 3.29Å; K594-E596 PolarHBondContact O-N 3.09Å; K594-Q597 PolarHBondContact O-N 3.17Å; K594-A598 PolarHBondContact O-N 2.95Å | ||
| 595 | P | 97.3 | Very high | 96.2 | Very high | 12 Ų | 12 | 34 Ų | 34 | 8% | 0.078 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.1 | -41.7 | 178.5 | -27.5 | 35.5 | 0 | 0 | 0 | 114.1 | Q597 A598 M599 L619 L623 | P595-Q597 PolarHBondContact O-N 3.42Å; P595-A598 PolarHBondContact O-N 3.3Å; P595-M599 WeakPolarHBondContact O-CG 3.46Å; P595-M599 PolarHBondContact O-N 3.05Å; P595-L619 HydrophobicContact CB-CD2 3.87Å; P595-L623 HydrophobicContact CB-CB 4.18Å; P595-L623 HydrophobicContact CB-CD1 3.69Å; P595-L623 HydrophobicContact CG-CB 4.14Å; P595-L623 HydrophobicContact CG-CD1 4.29Å |
| 596 | E | 95.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 33 Ų | 33 | 24% | 0.238 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -28.3 | 178.2 | -72.1 | 80.3 | -176.5 | 0 | 0 | 114 | K594 M599 Y631 L997 | K594-E596 VanDerWaalsContact C-N 3.29Å; K594-E596 PolarHBondContact O-N 3.09Å; E596-M599 HydrophobicContact CG-CE 4.43Å; E596-Y631 HydrophobicContact CG-CE2 4.21Å; E596-Y631 PolarHBondContact OE1-OH 3.26Å; E596-L997 HydrophobicContact CB-CD1 4.1Å; E596-L997 HydrophobicContact CG-CD1 3.78Å; E596-L997 HydrophobicContact CG-CD2 4.42Å |
| 597 | Q | 95.1 | Very high | 96.5 | Very high | 48 Ų | 48 | 32.7 Ų | 32.7 | 22% | 0.224 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -87.9 | -41.7 | 175 | -67.4 | 161.7 | -42 | 0 | 0 | 111 | D563 I593 K594 P595 M599 E600 | D563-Q597 PolarHBondContact OD1-OE1 3.45Å; D563-Q597 PolarHBondContact OD2-NE2 3.01Å; I593-Q597 HydrophobicContact CD1-CB 4.04Å; I593-Q597 HydrophobicContact CG1-CB 4.46Å; K594-Q597 PolarHBondContact O-N 3.17Å; P595-Q597 PolarHBondContact O-N 3.42Å; Q597-M599 PolarHBondContact O-N 3.31Å; Q597-E600 WeakPolarHBondContact O-CB 3.47Å; Q597-E600 PolarHBondContact O-N 3.09Å |
| 598 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.8 | -30.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I593 K594 P595 E600 L601 A615 C618 L619 | I593-A598 HydrophobicContact CD1-CB 4.2Å; I593-A598 HydrophobicContact CG1-CB 4Å; K594-A598 PolarHBondContact O-N 2.95Å; P595-A598 PolarHBondContact O-N 3.3Å; A598-E600 VanDerWaalsContact C-N 3.26Å; A598-E600 PolarHBondContact O-N 3.43Å; A598-L601 WeakPolarHBondContact O-CB 3.14Å; A598-L601 PolarHBondContact O-N 3.15Å; A598-L601 VanDerWaalsContact O-N 3.15Å; A598-A615 HydrophobicContact CB-CB 4.49Å; A598-A615 WeakPolarHBondContact O-CB 3.3Å; A598-C618 HydrophobicContact CB-CB 3.69Å; A598-L619 HydrophobicContact CB-CD2 4.31Å |
| 599 | M | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -27.7 | 175.2 | -78.4 | -167.7 | -59.5 | 0 | 0 | 113.7 | P595 E596 Q597 L601 L602 L619 Y631 L635 L997 M1004 | P595-M599 WeakPolarHBondContact O-CG 3.46Å; P595-M599 PolarHBondContact O-N 3.05Å; E596-M599 HydrophobicContact CG-CE 4.43Å; Q597-M599 PolarHBondContact O-N 3.31Å; M599-L601 PolarHBondContact O-N 3.42Å; M599-L602 PolarHBondContact O-N 3.35Å; M599-L602 VanDerWaalsContact O-N 3.16Å; M599-L619 HydrophobicContact CG-CD2 4.23Å; M599-Y631 HydrophobicContact CE-CD1 4.32Å; M599-Y631 HydrophobicContact CE-CD2 3.44Å; M599-Y631 VanDerWaalsContact CE-CD2 3.44Å; M599-Y631 HydrophobicContact CE-CE2 3.7Å; M599-Y631 HydrophobicContact CE-CG 3.78Å; M599-Y631 HydrophobicContact SD-CD2 3.81Å; M599-Y631 HydrophobicContact SD-CG 3.97Å; M599-L635 HydrophobicContact CG-CD2 4.36Å; M599-L635 HydrophobicContact SD-CD2 4.4Å; M599-L997 HydrophobicContact CE-CD1 4.37Å; M599-M1004 HydrophobicContact CB-CE 4.1Å; M599-M1004 HydrophobicContact CB-SD 3.82Å; M599-M1004 HydrophobicContact CG-CE 4.25Å; M599-M1004 HydrophobicContact CG-SD 4.44Å; M599-M1004 HydrophobicContact SD-CE 4.33Å; M599-M1004 HydrophobicContact SD-SD 4.37Å |
| 600 | E | 97.9 | Very high | 97.3 | Very high | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -56.8 | -43 | 172.1 | -170 | 170.5 | 152.2 | 0 | 0 | 110.3 | P566 K567 Q597 A598 L602 D603 F606 N1000 | P566-E600 HydrophobicContact CB-CG 4.38Å; P566-E600 WeakPolarHBondContact CB-OE1 3.31Å; K567-E600 IonicContact NZ-OE1 3.94Å; Q597-E600 WeakPolarHBondContact O-CB 3.47Å; Q597-E600 PolarHBondContact O-N 3.09Å; A598-E600 VanDerWaalsContact C-N 3.26Å; A598-E600 PolarHBondContact O-N 3.43Å; E600-L602 PolarHBondContact O-N 3.36Å; E600-D603 PolarHBondContact O-N 2.6Å; E600-F606 HydrophobicContact CG-CE2 4.01Å; E600-F606 VanDerWaalsContact O-CD2 3.27Å; E600-F606 WeakPolarHBondContact O-CD2 3.46Å; E600-N1000 PolarHBondContact OE2-ND2 3.26Å |
| 601 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -69.3 | -1 | -178.5 | -54 | -178.1 | 0 | 0 | 0 | 114.2 | L565 P566 L569 I593 A598 M599 F606 I611 F614 A615 | L565-L601 HydrophobicContact CD2-CD1 3.85Å; P566-L601 HydrophobicContact CB-CD2 4.08Å; P566-L601 HydrophobicContact CG-CD2 3.94Å; L569-L601 HydrophobicContact CD1-CD2 3.59Å; I593-L601 HydrophobicContact CD1-CD1 4.04Å; A598-L601 WeakPolarHBondContact O-CB 3.14Å; A598-L601 PolarHBondContact O-N 3.15Å; A598-L601 VanDerWaalsContact O-N 3.15Å; M599-L601 PolarHBondContact O-N 3.42Å; L601-F606 HydrophobicContact CD2-CD1 4.12Å; L601-F606 HydrophobicContact CD2-CD2 4.27Å; L601-F606 HydrophobicContact CD2-CE1 4.14Å; L601-F606 HydrophobicContact CD2-CE2 4.29Å; L601-F606 HydrophobicContact CD2-CG 4.18Å; L601-F606 HydrophobicContact CD2-CZ 4.22Å; L601-F606 WeakPolarHBondContact O-CB 3.31Å; L601-I611 HydrophobicContact CB-CG2 3.86Å; L601-I611 HydrophobicContact CD1-CG2 4.31Å; L601-I611 HydrophobicContact CD2-CG2 4.19Å; L601-I611 HydrophobicContact CG-CG2 4.34Å; L601-F614 HydrophobicContact CD1-CD1 3.88Å; L601-F614 HydrophobicContact CD1-CE1 4.03Å; L601-A615 HydrophobicContact CB-CB 3.85Å; L601-A615 HydrophobicContact CD1-CB 4.46Å |
| 602 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -105.6 | -4.4 | 175 | -61.6 | 177.5 | 0 | 0 | 0 | 112.8 | M599 E600 R612 A615 V616 L619 L635 V638 L649 | M599-L602 PolarHBondContact O-N 3.35Å; M599-L602 VanDerWaalsContact O-N 3.16Å; E600-L602 PolarHBondContact O-N 3.36Å; L602-R612 VanDerWaalsContact C-NH2 3.31Å; L602-R612 HydrophobicContact CD2-CB 4.22Å; L602-R612 HydrophobicContact CD2-CG 4.19Å; L602-R612 PolarHBondContact O-NH1 2.82Å; L602-R612 VanDerWaalsContact O-NH1 3.15Å; L602-R612 PolarHBondContact O-NH2 2.83Å; L602-A615 HydrophobicContact CD2-CB 3.75Å; L602-A615 HydrophobicContact CG-CB 3.96Å; L602-V616 HydrophobicContact CD2-CG2 4.4Å; L602-L619 HydrophobicContact CD1-CD1 3.86Å; L602-L635 HydrophobicContact CD1-CD2 3.99Å; L602-V638 HydrophobicContact CB-CB 4.34Å; L602-V638 HydrophobicContact CB-CG1 4.45Å; L602-V638 HydrophobicContact CB-CG2 4.14Å; L602-V638 WeakPolarHBondContact O-CB 3.47Å; L602-V638 WeakPolarHBondContact O-CG1 3.38Å; L602-L649 HydrophobicContact CD1-CD1 4.13Å; L602-L649 HydrophobicContact CD1-CD2 4.29Å |
| 603 | D | 96.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -74.4 | -179.3 | 176.4 | 84.4 | 8.6 | 0 | 0 | 0 | 112.8 | E600 N605 F606 R612 M1004 | E600-D603 PolarHBondContact O-N 2.6Å; D603-N605 PolarHBondContact O-N 3.13Å; D603-N605 WeakPolarHBondContact OD1-CA 3.09Å; D603-N605 VanDerWaalsContact OD1-CB 3.27Å; D603-N605 WeakPolarHBondContact OD1-CB 3.36Å; D603-N605 PolarHBondContact OD1-N 3.5Å; D603-F606 PolarHBondContact O-N 2.69Å; D603-F606 WeakPolarHBondContact OD1-CD2 3.41Å; D603-R612 PolarHBondContact O-NH2 3.41Å; D603-M1004 HydrophobicContact CB-CG 4.34Å |
| 604 | C | 96 | Very high | 97.6 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -12 | -175.6 | 58.5 | 0 | 0 | 0 | 0 | 115.2 | G363 I459 Y641 F1016 | G363-C604 WeakPolarHBondContact CA-O 3.38Å; I459-C604 HydrophobicContact CG2-CB 4.49Å; C604-Y641 HydrophobicContact CB-CD1 3.99Å; C604-Y641 HydrophobicContact CB-CD2 4.28Å; C604-Y641 HydrophobicContact CB-CE1 3.88Å; C604-Y641 HydrophobicContact CB-CE2 4.16Å; C604-Y641 HydrophobicContact CB-CG 4.2Å; C604-F1016 VanDerWaalsContact SG-CZ 3.59Å |
| 605 | N | 96.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 18 Ų | 18 | 25% | 0.246 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -24.2 | 178.1 | -64.2 | -36.9 | 0 | 0 | 0 | 112.4 | D603 P607 F1016 | D603-N605 PolarHBondContact O-N 3.13Å; D603-N605 WeakPolarHBondContact OD1-CA 3.09Å; D603-N605 VanDerWaalsContact OD1-CB 3.27Å; D603-N605 WeakPolarHBondContact OD1-CB 3.36Å; D603-N605 PolarHBondContact OD1-N 3.5Å; N605-P607 VanDerWaalsContact C-CD 3.46Å; N605-P607 WeakPolarHBondContact O-CD 3.47Å; N605-F1016 WeakPolarHBondContact ND2-CZ 3.45Å; N605-F1016 WeakPolarHBondContact OD1-CE2 3.4Å |
| 606 | F | 98 | Very high | 97.7 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 2% | 0.022 | 9% | 0.09 | C | C | . | . | trans | -114.9 | 76.9 | -176.5 | -56 | -78.6 | 0 | 0 | 0 | 110.6 | P566 L569 L570 E600 L601 D603 D608 I611 R612 | P566-F606 HydrophobicContact CB-CZ 3.99Å; L569-F606 HydrophobicContact CB-CD1 4.01Å; L569-F606 HydrophobicContact CB-CE1 3.63Å; L569-F606 HydrophobicContact CD1-CD1 4.09Å; L569-F606 HydrophobicContact CD1-CE1 4.14Å; L570-F606 HydrophobicContact CD1-CZ 4.42Å; L570-F606 HydrophobicContact CD2-CE1 4.17Å; L570-F606 HydrophobicContact CD2-CZ 4.15Å; L570-F606 HydrophobicContact CG-CE1 4.14Å; L570-F606 HydrophobicContact CG-CZ 4.06Å; E600-F606 HydrophobicContact CG-CE2 4.01Å; E600-F606 VanDerWaalsContact O-CD2 3.27Å; E600-F606 WeakPolarHBondContact O-CD2 3.46Å; L601-F606 HydrophobicContact CD2-CD1 4.12Å; L601-F606 HydrophobicContact CD2-CD2 4.27Å; L601-F606 HydrophobicContact CD2-CE1 4.14Å; L601-F606 HydrophobicContact CD2-CE2 4.29Å; L601-F606 HydrophobicContact CD2-CG 4.18Å; L601-F606 HydrophobicContact CD2-CZ 4.22Å; L601-F606 WeakPolarHBondContact O-CB 3.31Å; D603-F606 PolarHBondContact O-N 2.69Å; D603-F606 WeakPolarHBondContact OD1-CD2 3.41Å; F606-D608 VanDerWaalsContact C-N 3.32Å; F606-I611 HydrophobicContact CB-CG2 4.04Å; F606-I611 HydrophobicContact CD1-CD1 4.37Å; F606-I611 HydrophobicContact CD1-CG2 4.46Å; F606-R612 PolarHBondContact O-NE 2.79Å; F606-R612 PolarHBondContact O-NH2 3.18Å | ||
| 607 | P | 97.9 | Very high | 97.9 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 5% | 0.045 | 10% | 0.101 | C | C | . | . | trans | -81.8 | -11.4 | -177.8 | 39.9 | -45.1 | 0 | 0 | 0 | 113.2 | H362 A399 N605 | H362-P607 VanDerWaalsContact CE1-CG 3.47Å; H362-P607 WeakPolarHBondContact CE1-CG 3.32Å; H362-P607 WeakPolarHBondContact NE2-CG 3.2Å; A399-P607 HydrophobicContact CB-CB 3.91Å; A399-P607 HydrophobicContact CB-CG 3.85Å; N605-P607 VanDerWaalsContact C-CD 3.46Å; N605-P607 WeakPolarHBondContact O-CD 3.47Å | ||
| 608 | D | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -67.3 | 130.9 | -170.3 | -175.4 | -90.9 | 0 | 0 | 0 | 112.2 | W574 Y584 F606 M610 I611 R612 | W574-D608 HydrophobicContact CH2-CB 3.94Å; W574-D608 HydrophobicContact CZ3-CB 4.12Å; Y584-D608 WeakPolarHBondContact CE1-OD1 3.33Å; Y584-D608 WeakPolarHBondContact CE1-OD2 3.48Å; Y584-D608 PolarHBondContact OH-OD2 3.21Å; F606-D608 VanDerWaalsContact C-N 3.32Å; D608-M610 VanDerWaalsContact C-N 3.33Å; D608-M610 PolarHBondContact O-N 3.24Å; D608-M610 WeakPolarHBondContact OD1-CA 3.46Å; D608-M610 VanDerWaalsContact OD1-CB 3.3Å; D608-M610 WeakPolarHBondContact OD1-CB 3.42Å; D608-M610 PolarHBondContact OD1-N 3.32Å; D608-I611 HydrophobicContact CB-CB 4.18Å; D608-I611 HydrophobicContact CB-CD1 3.65Å; D608-I611 HydrophobicContact CB-CG1 3.86Å; D608-I611 PolarHBondContact O-N 3.36Å; D608-I611 PolarHBondContact OD1-N 3.37Å; D608-R612 WeakPolarHBondContact O-CG 3.29Å; D608-R612 PolarHBondContact O-N 3.29Å | ||
| 609 | P | 97.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 18.1 Ų | 18.1 | 31% | 0.312 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -60.7 | -35.8 | -177.8 | -26.7 | 35.3 | 0 | 0 | 0 | 114.4 | R398 R612 E613 | R398-P609 HydrophobicContact CG-CG 3.94Å; P609-R612 PolarHBondContact O-N 3.13Å; P609-E613 VanDerWaalsContact O-CB 3.3Å; P609-E613 WeakPolarHBondContact O-CB 3.43Å; P609-E613 PolarHBondContact O-N 3.17Å |
| 610 | M | 97.9 | Very high | 98.1 | Very high | 47 Ų | 47 | 23.3 Ų | 23.3 | 23% | 0.232 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.9 | -40.6 | -179.1 | -63 | -64.3 | -66.6 | 0 | 0 | 110.5 | M489 Y584 L587 D608 E613 F614 | M489-M610 HydrophobicContact CE-CE 3.8Å; M489-M610 HydrophobicContact SD-CE 3.99Å; M489-M610 HydrophobicContact SD-SD 4.06Å; Y584-M610 HydrophobicContact CD1-CB 4.24Å; Y584-M610 HydrophobicContact CD1-CG 4.18Å; Y584-M610 HydrophobicContact CD2-CG 4.03Å; Y584-M610 HydrophobicContact CE1-CB 4.15Å; Y584-M610 HydrophobicContact CE1-CG 4.04Å; Y584-M610 HydrophobicContact CE2-CG 3.92Å; Y584-M610 HydrophobicContact CG-CG 4.18Å; L587-M610 VanDerWaalsContact CD2-C 3.43Å; L587-M610 HydrophobicContact CD2-CB 3.93Å; L587-M610 WeakPolarHBondContact CD2-O 3.26Å; D608-M610 VanDerWaalsContact C-N 3.33Å; D608-M610 PolarHBondContact O-N 3.24Å; D608-M610 WeakPolarHBondContact OD1-CA 3.46Å; D608-M610 VanDerWaalsContact OD1-CB 3.3Å; D608-M610 WeakPolarHBondContact OD1-CB 3.42Å; D608-M610 PolarHBondContact OD1-N 3.32Å; M610-E613 PolarHBondContact O-N 3.49Å; M610-F614 PolarHBondContact O-N 3.27Å |
| 611 | I | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -49.2 | 174 | -61 | 175.3 | 0 | 0 | 0 | 110.7 | L569 W574 L587 L601 F606 D608 E613 F614 A615 | L569-I611 HydrophobicContact CB-CD1 4.4Å; L569-I611 HydrophobicContact CD1-CD1 3.88Å; L569-I611 HydrophobicContact CD1-CG1 4.11Å; L569-I611 HydrophobicContact CD1-CG2 3.81Å; L569-I611 HydrophobicContact CD2-CD1 3.54Å; L569-I611 HydrophobicContact CD2-CG1 3.87Å; L569-I611 HydrophobicContact CG-CD1 4.12Å; W574-I611 HydrophobicContact CH2-CD1 3.67Å; W574-I611 HydrophobicContact CZ2-CD1 3.65Å; L587-I611 HydrophobicContact CD2-CG1 4.1Å; L601-I611 HydrophobicContact CB-CG2 3.86Å; L601-I611 HydrophobicContact CD1-CG2 4.31Å; L601-I611 HydrophobicContact CD2-CG2 4.19Å; L601-I611 HydrophobicContact CG-CG2 4.34Å; F606-I611 HydrophobicContact CB-CG2 4.04Å; F606-I611 HydrophobicContact CD1-CD1 4.37Å; F606-I611 HydrophobicContact CD1-CG2 4.46Å; D608-I611 HydrophobicContact CB-CB 4.18Å; D608-I611 HydrophobicContact CB-CD1 3.65Å; D608-I611 HydrophobicContact CB-CG1 3.86Å; D608-I611 PolarHBondContact O-N 3.36Å; D608-I611 PolarHBondContact OD1-N 3.37Å; I611-E613 PolarHBondContact O-N 3.41Å; I611-F614 WeakPolarHBondContact O-CB 3.26Å; I611-F614 PolarHBondContact O-N 2.98Å; I611-A615 PolarHBondContact O-N 3.33Å |
| 612 | R | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.5 | -38.1 | -179.3 | -71 | 179.7 | 166.1 | -89.1 | -11.8 | 112.2 | L602 D603 F606 D608 P609 A615 V616 E642 | L602-R612 VanDerWaalsContact C-NH2 3.31Å; L602-R612 HydrophobicContact CD2-CB 4.22Å; L602-R612 HydrophobicContact CD2-CG 4.19Å; L602-R612 PolarHBondContact O-NH1 2.82Å; L602-R612 VanDerWaalsContact O-NH1 3.15Å; L602-R612 PolarHBondContact O-NH2 2.83Å; D603-R612 PolarHBondContact O-NH2 3.41Å; F606-R612 PolarHBondContact O-NE 2.79Å; F606-R612 PolarHBondContact O-NH2 3.18Å; D608-R612 WeakPolarHBondContact O-CG 3.29Å; D608-R612 PolarHBondContact O-N 3.29Å; P609-R612 PolarHBondContact O-N 3.13Å; R612-A615 WeakPolarHBondContact O-CB 3.35Å; R612-A615 PolarHBondContact O-N 3.49Å; R612-V616 WeakPolarHBondContact O-CG2 3.5Å; R612-V616 PolarHBondContact O-N 2.95Å; R612-E642 WeakPolarHBondContact CD-OE1 2.96Å; R612-E642 IonicContact CZ-OE1 3.13Å; R612-E642 IonicContact NE-OE1 2.94Å; R612-E642 IonicContact NH1-OE1 3.84Å; R612-E642 PolarHBondContact NH1-OE1 2.71Å |
| 613 | E | 98.4 | Very high | 98 | Very high | 70 Ų | 70 | 35.1 Ų | 35.1 | 33% | 0.327 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 174.1 | -169.3 | -173.6 | 153 | 0 | 0 | 111.6 | P609 M610 I611 A615 V616 K617 P648 | P609-E613 VanDerWaalsContact O-CB 3.3Å; P609-E613 WeakPolarHBondContact O-CB 3.43Å; P609-E613 PolarHBondContact O-N 3.17Å; M610-E613 PolarHBondContact O-N 3.49Å; I611-E613 PolarHBondContact O-N 3.41Å; E613-A615 VanDerWaalsContact C-N 3.33Å; E613-A615 PolarHBondContact O-N 3.01Å; E613-V616 PolarHBondContact O-N 3.43Å; E613-K617 WeakPolarHBondContact O-CG 3.32Å; E613-K617 PolarHBondContact O-N 2.84Å; E613-K617 WeakPolarHBondContact OE1-CE 3.43Å; E613-K617 IonicContact OE1-NZ 3.18Å; E613-K617 PolarHBondContact OE1-NZ 3.04Å; E613-P648 HydrophobicContact CB-CG 4.33Å; E613-P648 HydrophobicContact CG-CG 4.17Å |
| 614 | F | 98.6 | Very high | 98 | Very high | 18 Ų | 18 | 37.9 Ų | 37.9 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 173.2 | 170 | -91.2 | 0 | 0 | 0 | 111.8 | L565 L587 W590 I593 L601 M610 I611 V616 K617 C618 | L565-F614 HydrophobicContact CD2-CD1 3.84Å; L565-F614 HydrophobicContact CD2-CE1 3.4Å; L565-F614 HydrophobicContact CD2-CZ 3.97Å; L587-F614 HydrophobicContact CD1-CB 3.92Å; L587-F614 HydrophobicContact CD1-CD1 4.04Å; L587-F614 HydrophobicContact CD1-CD2 3.99Å; L587-F614 HydrophobicContact CD1-CG 3.7Å; L587-F614 HydrophobicContact CD2-CB 4.15Å; L587-F614 HydrophobicContact CG-CB 4.06Å; L587-F614 HydrophobicContact CG-CD2 4.48Å; L587-F614 HydrophobicContact CG-CG 4.29Å; W590-F614 HydrophobicContact CB-CE2 4Å; W590-F614 HydrophobicContact CB-CZ 4.46Å; W590-F614 AromaticContact CD1-CZ 3.65Å; W590-F614 HydrophobicContact CG-CE2 4.39Å; W590-F614 HydrophobicContact CG-CZ 4.38Å; I593-F614 HydrophobicContact CD1-CE1 4.01Å; I593-F614 HydrophobicContact CG1-CE1 4.01Å; I593-F614 HydrophobicContact CG1-CZ 4.31Å; L601-F614 HydrophobicContact CD1-CD1 3.88Å; L601-F614 HydrophobicContact CD1-CE1 4.03Å; M610-F614 PolarHBondContact O-N 3.27Å; I611-F614 WeakPolarHBondContact O-CB 3.26Å; I611-F614 PolarHBondContact O-N 2.98Å; F614-V616 PolarHBondContact O-N 2.88Å; F614-K617 WeakPolarHBondContact O-CB 3.4Å; F614-K617 PolarHBondContact O-N 3.11Å; F614-C618 VanDerWaalsContact CZ-SG 3.58Å; F614-C618 PolarHBondContact O-N 2.91Å; F614-C618 PolarHBondContact O-SG 3.47Å |
| 615 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A598 L601 L602 I611 R612 E613 K617 C618 L619 | A598-A615 HydrophobicContact CB-CB 4.49Å; A598-A615 WeakPolarHBondContact O-CB 3.3Å; L601-A615 HydrophobicContact CB-CB 3.85Å; L601-A615 HydrophobicContact CD1-CB 4.46Å; L602-A615 HydrophobicContact CD2-CB 3.75Å; L602-A615 HydrophobicContact CG-CB 3.96Å; I611-A615 PolarHBondContact O-N 3.33Å; R612-A615 WeakPolarHBondContact O-CB 3.35Å; R612-A615 PolarHBondContact O-N 3.49Å; E613-A615 VanDerWaalsContact C-N 3.33Å; E613-A615 PolarHBondContact O-N 3.01Å; A615-K617 PolarHBondContact O-N 3.37Å; A615-C618 WeakPolarHBondContact O-CB 3.25Å; A615-C618 PolarHBondContact O-N 3.05Å; A615-C618 VanDerWaalsContact O-N 3.1Å; A615-L619 WeakPolarHBondContact O-CG 3.28Å; A615-L619 PolarHBondContact O-N 3.33Å |
| 616 | V | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 177.3 | 174 | 0 | 0 | 0 | 0 | 111.6 | L602 R612 E613 F614 C618 L619 E620 P648 L649 F652 | L602-V616 HydrophobicContact CD2-CG2 4.4Å; R612-V616 WeakPolarHBondContact O-CG2 3.5Å; R612-V616 PolarHBondContact O-N 2.95Å; E613-V616 PolarHBondContact O-N 3.43Å; F614-V616 PolarHBondContact O-N 2.88Å; V616-C618 VanDerWaalsContact C-N 3.26Å; V616-C618 PolarHBondContact O-N 3.4Å; V616-L619 CarbonylContact O-C 3.58Å; V616-L619 WeakPolarHBondContact O-CA 3.34Å; V616-L619 WeakPolarHBondContact O-CB 3.42Å; V616-L619 PolarHBondContact O-N 2.98Å; V616-E620 HydrophobicContact CG1-CG 4.29Å; V616-E620 WeakPolarHBondContact O-CG 3.06Å; V616-E620 PolarHBondContact O-N 3.45Å; V616-P648 HydrophobicContact CB-CB 4.17Å; V616-P648 HydrophobicContact CG1-CB 4.04Å; V616-P648 HydrophobicContact CG2-CB 4.18Å; V616-L649 HydrophobicContact CG2-CB 3.83Å; V616-L649 HydrophobicContact CG2-CD1 4.13Å; V616-F652 HydrophobicContact CG1-CB 3.9Å; V616-F652 HydrophobicContact CG1-CG 4.31Å |
| 617 | K | 98.4 | Very high | 98.1 | Very high | 109 Ų | 109 | 40.2 Ų | 40.2 | 47% | 0.474 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.9 | -37.2 | 173.8 | -74.6 | 171.4 | -178 | 163.3 | 0 | 112.4 | E613 F614 A615 K621 | E613-K617 WeakPolarHBondContact O-CG 3.32Å; E613-K617 PolarHBondContact O-N 2.84Å; E613-K617 WeakPolarHBondContact OE1-CE 3.43Å; E613-K617 IonicContact OE1-NZ 3.18Å; E613-K617 PolarHBondContact OE1-NZ 3.04Å; F614-K617 WeakPolarHBondContact O-CB 3.4Å; F614-K617 PolarHBondContact O-N 3.11Å; A615-K617 PolarHBondContact O-N 3.37Å; K617-K621 WeakPolarHBondContact O-CB 3.36Å; K617-K621 PolarHBondContact O-N 3.48Å |
| 618 | C | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.1 | -41.3 | 173.8 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | A598 F614 A615 V616 K621 Y622 | A598-C618 HydrophobicContact CB-CB 3.69Å; F614-C618 VanDerWaalsContact CZ-SG 3.58Å; F614-C618 PolarHBondContact O-N 2.91Å; F614-C618 PolarHBondContact O-SG 3.47Å; A615-C618 WeakPolarHBondContact O-CB 3.25Å; A615-C618 PolarHBondContact O-N 3.05Å; A615-C618 VanDerWaalsContact O-N 3.1Å; V616-C618 VanDerWaalsContact C-N 3.26Å; V616-C618 PolarHBondContact O-N 3.4Å; C618-K621 PolarHBondContact O-N 3.32Å; C618-Y622 PolarHBondContact O-N 2.86Å |
| 619 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -46.2 | 175.7 | -57.2 | -172.3 | 0 | 0 | 0 | 111.7 | P595 A598 M599 L602 A615 V616 K621 Y622 L623 L635 F652 | P595-L619 HydrophobicContact CB-CD2 3.87Å; A598-L619 HydrophobicContact CB-CD2 4.31Å; M599-L619 HydrophobicContact CG-CD2 4.23Å; L602-L619 HydrophobicContact CD1-CD1 3.86Å; A615-L619 WeakPolarHBondContact O-CG 3.28Å; A615-L619 PolarHBondContact O-N 3.33Å; V616-L619 CarbonylContact O-C 3.58Å; V616-L619 WeakPolarHBondContact O-CA 3.34Å; V616-L619 WeakPolarHBondContact O-CB 3.42Å; V616-L619 PolarHBondContact O-N 2.98Å; L619-K621 PolarHBondContact O-N 3.42Å; L619-Y622 PolarHBondContact O-N 3.17Å; L619-L623 HydrophobicContact CB-CB 4.14Å; L619-L623 HydrophobicContact CB-CD2 4.28Å; L619-L623 HydrophobicContact CD1-CD2 4.49Å; L619-L623 HydrophobicContact CD2-CB 4.38Å; L619-L623 HydrophobicContact CD2-CD2 4.24Å; L619-L623 WeakPolarHBondContact O-CA 3.29Å; L619-L623 WeakPolarHBondContact O-CB 3.35Å; L619-L623 PolarHBondContact O-N 2.95Å; L619-L635 HydrophobicContact CD1-CD2 3.85Å; L619-F652 HydrophobicContact CB-CE1 4.13Å; L619-F652 HydrophobicContact CB-CZ 4.06Å; L619-F652 HydrophobicContact CD1-CE1 4.27Å |
| 620 | E | 97.9 | Very high | 98.1 | Very high | 110 Ų | 110 | 40.5 Ų | 40.5 | 51% | 0.514 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.7 | -37.5 | 177.8 | -75.4 | -178.7 | 150.8 | 0 | 0 | 112.6 | V616 F652 | V616-E620 HydrophobicContact CG1-CG 4.29Å; V616-E620 WeakPolarHBondContact O-CG 3.06Å; V616-E620 PolarHBondContact O-N 3.45Å; E620-F652 HydrophobicContact CG-CD2 3.51Å; E620-F652 HydrophobicContact CG-CE2 3.87Å; E620-F652 HydrophobicContact CG-CG 4.38Å |
| 621 | K | 97.1 | Very high | 98.1 | Very high | 138 Ų | 138 | 38.3 Ų | 38.3 | 60% | 0.6 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -81.3 | -39.9 | -177.2 | -169.4 | 174.3 | -179.9 | -167.9 | 0 | 113.7 | K617 C618 L619 | K617-K621 WeakPolarHBondContact O-CB 3.36Å; K617-K621 PolarHBondContact O-N 3.48Å; C618-K621 PolarHBondContact O-N 3.32Å; L619-K621 PolarHBondContact O-N 3.42Å |
| 622 | Y | 97.6 | Very high | 98.1 | Very high | 111 Ų | 111 | 38.4 Ų | 38.4 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -122.9 | -17.5 | -166.4 | -60.8 | -62.8 | 0 | 0 | 0 | 115.2 | A592 C618 L619 T624 | A592-Y622 HydrophobicContact CB-CE2 3.67Å; C618-Y622 PolarHBondContact O-N 2.86Å; L619-Y622 PolarHBondContact O-N 3.17Å; Y622-T624 PolarHBondContact O-N 3.28Å |
| 623 | L | 98.1 | Very high | 98.1 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | trans | -78.7 | 109.7 | -179.6 | -170.2 | 71.9 | 0 | 0 | 0 | 110.1 | P595 L619 K627 L628 Y631 L635 F652 | P595-L623 HydrophobicContact CB-CB 4.18Å; P595-L623 HydrophobicContact CB-CD1 3.69Å; P595-L623 HydrophobicContact CG-CB 4.14Å; P595-L623 HydrophobicContact CG-CD1 4.29Å; L619-L623 HydrophobicContact CB-CB 4.14Å; L619-L623 HydrophobicContact CB-CD2 4.28Å; L619-L623 HydrophobicContact CD1-CD2 4.49Å; L619-L623 HydrophobicContact CD2-CB 4.38Å; L619-L623 HydrophobicContact CD2-CD2 4.24Å; L619-L623 WeakPolarHBondContact O-CA 3.29Å; L619-L623 WeakPolarHBondContact O-CB 3.35Å; L619-L623 PolarHBondContact O-N 2.95Å; L623-K627 HydrophobicContact CD1-CB 3.53Å; L623-K627 HydrophobicContact CG-CB 4.4Å; L623-L628 HydrophobicContact CD2-CB 3.76Å; L623-L628 HydrophobicContact CD2-CD1 3.88Å; L623-L628 HydrophobicContact CD2-CG 4.31Å; L623-L628 HydrophobicContact CG-CB 4.04Å; L623-Y631 HydrophobicContact CD1-CD2 4.23Å; L623-L635 HydrophobicContact CD2-CD1 4.08Å; L623-F652 HydrophobicContact CD2-CE1 4.37Å; L623-F652 HydrophobicContact CD2-CZ 4.26Å | ||
| 624 | T | 97.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 36.1 Ų | 36.1 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | trans | -70.5 | 156.7 | 174.9 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | Y622 D626 K627 L628 | Y622-T624 PolarHBondContact O-N 3.28Å; T624-D626 PolarHBondContact O-N 3.39Å; T624-K627 PolarHBondContact O-N 3.11Å; T624-K627 VanDerWaalsContact O-N 3.14Å; T624-K627 PolarHBondContact OG1-N 2.89Å; T624-L628 WeakPolarHBondContact O-CB 3.28Å; T624-L628 PolarHBondContact O-N 3.25Å | ||
| 625 | D | 98.2 | Very high | 98.2 | Very high | 49 Ų | 49 | 35.3 Ų | 35.3 | 26% | 0.262 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.9 | -27.3 | 176.3 | -75.9 | 11.8 | 0 | 0 | 0 | 112.6 | S629 K656 N660 I663 | D625-S629 WeakPolarHBondContact O-CB 3.38Å; D625-S629 PolarHBondContact O-N 3.41Å; D625-S629 PolarHBondContact O-OG 3.1Å; D625-K656 IonicContact OD1-NZ 3.59Å; D625-K656 PolarHBondContact OD1-NZ 3.29Å; D625-N660 PolarHBondContact OD2-ND2 3.34Å; D625-I663 HydrophobicContact CB-CD1 3.89Å |
| 626 | D | 96.8 | Very high | 98.2 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 8% | 0.075 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -52 | 172.5 | 178.9 | 45.9 | 0 | 0 | 0 | 111.5 | S173 K271 T624 S629 Q630 | S173-D626 WeakPolarHBondContact CB-OD2 3.23Å; S173-D626 PolarHBondContact N-OD2 2.95Å; S173-D626 PolarHBondContact OG-OD2 3.46Å; K271-D626 VanDerWaalsContact CE-OD1 3.23Å; K271-D626 WeakPolarHBondContact CE-OD1 3.44Å; K271-D626 IonicContact NZ-OD1 2.85Å; K271-D626 PolarHBondContact NZ-OD1 3.07Å; T624-D626 PolarHBondContact O-N 3.39Å; D626-S629 PolarHBondContact O-N 3.24Å; D626-Q630 PolarHBondContact O-N 3.34Å |
| 627 | K | 97.6 | Very high | 98.1 | Very high | 46 Ų | 46 | 35.6 Ų | 35.6 | 20% | 0.2 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.6 | -37.9 | 177.4 | -71.1 | -57.5 | -166.8 | 171.2 | 0 | 112.9 | S173 L623 T624 Q630 Y631 | S173-K627 WeakPolarHBondContact OG-CG 3.49Å; L623-K627 HydrophobicContact CD1-CB 3.53Å; L623-K627 HydrophobicContact CG-CB 4.4Å; T624-K627 PolarHBondContact O-N 3.11Å; T624-K627 VanDerWaalsContact O-N 3.14Å; T624-K627 PolarHBondContact OG1-N 2.89Å; K627-Q630 CarbonylContact O-C 3.56Å; K627-Q630 WeakPolarHBondContact O-CA 3.31Å; K627-Q630 WeakPolarHBondContact O-CB 3.22Å; K627-Q630 PolarHBondContact O-N 3.49Å; K627-Q630 VanDerWaalsContact O-N 3.1Å; K627-Y631 HydrophobicContact CB-CD2 4.37Å; K627-Y631 HydrophobicContact CB-CE2 4.11Å; K627-Y631 HydrophobicContact CD-CE2 3.98Å; K627-Y631 PolarHBondContact NZ-OH 2.84Å; K627-Y631 VanDerWaalsContact O-CD2 3.25Å; K627-Y631 WeakPolarHBondContact O-CD2 3.44Å; K627-Y631 PolarHBondContact O-N 3.05Å |
| 628 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 172.1 | 175.3 | 53.7 | 0 | 0 | 0 | 110.9 | L623 T624 Q630 Y631 L632 L635 F652 L653 K656 I663 | L623-L628 HydrophobicContact CD2-CB 3.76Å; L623-L628 HydrophobicContact CD2-CD1 3.88Å; L623-L628 HydrophobicContact CD2-CG 4.31Å; L623-L628 HydrophobicContact CG-CB 4.04Å; T624-L628 WeakPolarHBondContact O-CB 3.28Å; T624-L628 PolarHBondContact O-N 3.25Å; L628-Q630 PolarHBondContact O-N 3.13Å; L628-Y631 PolarHBondContact O-N 3.11Å; L628-L632 HydrophobicContact CD1-CD1 4.1Å; L628-L632 WeakPolarHBondContact O-CA 3.37Å; L628-L632 WeakPolarHBondContact O-CB 3.38Å; L628-L632 PolarHBondContact O-N 2.86Å; L628-L635 HydrophobicContact CD1-CD1 3.38Å; L628-F652 HydrophobicContact CD1-CE1 4.38Å; L628-F652 HydrophobicContact CD2-CE1 4.49Å; L628-F652 HydrophobicContact CD2-CZ 4.27Å; L628-L653 HydrophobicContact CD1-CD2 3.9Å; L628-K656 HydrophobicContact CD2-CB 3.57Å; L628-K656 HydrophobicContact CD2-CD 3.93Å; L628-K656 HydrophobicContact CD2-CG 3.55Å; L628-I663 HydrophobicContact CB-CD1 4.47Å; L628-I663 HydrophobicContact CD2-CD1 3.78Å; L628-I663 HydrophobicContact CD2-CG2 4.44Å; L628-I663 HydrophobicContact CG-CD1 4.09Å |
| 629 | S | 97.4 | Very high | 98.2 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 27% | 0.266 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.2 | -36 | 174.4 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | D625 D626 I663 | D625-S629 WeakPolarHBondContact O-CB 3.38Å; D625-S629 PolarHBondContact O-N 3.41Å; D625-S629 PolarHBondContact O-OG 3.1Å; D626-S629 PolarHBondContact O-N 3.24Å; S629-I663 WeakPolarHBondContact OG-CG1 3.35Å |
| 630 | Q | 97.9 | Very high | 98.1 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.7 | -35.5 | 179 | -170.8 | 170.7 | 17.9 | 0 | 0 | 113.2 | D626 K627 L628 Q815 I819 N822 | D626-Q630 PolarHBondContact O-N 3.34Å; K627-Q630 CarbonylContact O-C 3.56Å; K627-Q630 WeakPolarHBondContact O-CA 3.31Å; K627-Q630 WeakPolarHBondContact O-CB 3.22Å; K627-Q630 PolarHBondContact O-N 3.49Å; K627-Q630 VanDerWaalsContact O-N 3.1Å; L628-Q630 PolarHBondContact O-N 3.13Å; Q630-Q815 PolarHBondContact O-NE2 2.91Å; Q630-I819 HydrophobicContact CG-CG1 4.19Å; Q630-N822 PolarHBondContact NE2-ND2 2.87Å |
| 631 | Y | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -107.3 | 11.8 | -177.2 | -50.5 | -46.8 | 0 | 0 | 0 | 113.7 | E596 M599 L623 K627 L628 I633 Q634 L635 I819 L997 L1001 | E596-Y631 HydrophobicContact CG-CE2 4.21Å; E596-Y631 PolarHBondContact OE1-OH 3.26Å; M599-Y631 HydrophobicContact CE-CD1 4.32Å; M599-Y631 HydrophobicContact CE-CD2 3.44Å; M599-Y631 VanDerWaalsContact CE-CD2 3.44Å; M599-Y631 HydrophobicContact CE-CE2 3.7Å; M599-Y631 HydrophobicContact CE-CG 3.78Å; M599-Y631 HydrophobicContact SD-CD2 3.81Å; M599-Y631 HydrophobicContact SD-CG 3.97Å; L623-Y631 HydrophobicContact CD1-CD2 4.23Å; K627-Y631 HydrophobicContact CB-CD2 4.37Å; K627-Y631 HydrophobicContact CB-CE2 4.11Å; K627-Y631 HydrophobicContact CD-CE2 3.98Å; K627-Y631 PolarHBondContact NZ-OH 2.84Å; K627-Y631 VanDerWaalsContact O-CD2 3.25Å; K627-Y631 WeakPolarHBondContact O-CD2 3.44Å; K627-Y631 PolarHBondContact O-N 3.05Å; L628-Y631 PolarHBondContact O-N 3.11Å; Y631-I633 VanDerWaalsContact C-N 3.26Å; Y631-I633 PolarHBondContact O-N 2.97Å; Y631-Q634 PolarHBondContact O-N 3.24Å; Y631-Q634 PolarHBondContact O-OE1 2.9Å; Y631-L635 PolarHBondContact O-N 2.99Å; Y631-L635 VanDerWaalsContact O-N 3.1Å; Y631-I819 HydrophobicContact CD1-CD1 4.39Å; Y631-I819 HydrophobicContact CE1-CD1 4.03Å; Y631-I819 HydrophobicContact CE1-CG1 4.45Å; Y631-L997 HydrophobicContact CE1-CD1 4.41Å; Y631-L1001 HydrophobicContact CD1-CD2 3.78Å; Y631-L1001 HydrophobicContact CE1-CD2 4.26Å; Y631-L1001 HydrophobicContact CG-CD2 4.49Å |
| 632 | L | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.4 | -35.2 | -172.1 | -170.6 | 60.7 | 0 | 0 | 0 | 112.9 | L628 L635 V636 L653 I663 F666 F667 | L628-L632 HydrophobicContact CD1-CD1 4.1Å; L628-L632 WeakPolarHBondContact O-CA 3.37Å; L628-L632 WeakPolarHBondContact O-CB 3.38Å; L628-L632 PolarHBondContact O-N 2.86Å; L632-L635 PolarHBondContact O-N 2.95Å; L632-V636 HydrophobicContact CD1-CG2 4.37Å; L632-V636 HydrophobicContact CG-CG2 4.38Å; L632-V636 WeakPolarHBondContact O-CB 3.45Å; L632-V636 WeakPolarHBondContact O-CG2 3.17Å; L632-V636 PolarHBondContact O-N 2.71Å; L632-L653 HydrophobicContact CD1-CD2 4.41Å; L632-I663 HydrophobicContact CD1-CG2 4.4Å; L632-I663 HydrophobicContact CD2-CG2 4.32Å; L632-F666 HydrophobicContact CD2-CB 3.77Å; L632-F667 HydrophobicContact CD2-CB 4.35Å |
| 633 | I | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 17 Ų | 17 | 13% | 0.133 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.1 | -52.8 | 178.2 | -61.3 | 172.2 | 0 | 0 | 0 | 109.5 | Y631 L635 V636 Q637 M811 M1005 | Y631-I633 VanDerWaalsContact C-N 3.26Å; Y631-I633 PolarHBondContact O-N 2.97Å; I633-L635 PolarHBondContact O-N 3.21Å; I633-V636 PolarHBondContact O-N 2.83Å; I633-Q637 WeakPolarHBondContact O-CG 3.18Å; I633-Q637 PolarHBondContact O-N 2.9Å; I633-M811 HydrophobicContact CD1-CE 3.94Å; I633-M811 HydrophobicContact CG1-CE 4.49Å; I633-M1005 HydrophobicContact CG2-CE 3.68Å; I633-M1005 HydrophobicContact CG2-SD 3.75Å |
| 634 | Q | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 179.5 | -71.5 | 76.4 | 10.9 | 0 | 0 | 111.5 | Y631 V636 Q637 V638 L1001 M1004 M1005 | Y631-Q634 PolarHBondContact O-N 3.24Å; Y631-Q634 PolarHBondContact O-OE1 2.9Å; Q634-V636 VanDerWaalsContact C-N 3.3Å; Q634-V636 PolarHBondContact O-N 3.45Å; Q634-Q637 WeakPolarHBondContact O-CB 3.47Å; Q634-Q637 PolarHBondContact O-N 2.88Å; Q634-Q637 VanDerWaalsContact O-N 3.07Å; Q634-V638 WeakPolarHBondContact O-CG2 3.12Å; Q634-V638 PolarHBondContact O-N 3.21Å; Q634-L1001 HydrophobicContact CG-CB 4.44Å; Q634-L1001 HydrophobicContact CG-CD2 3.77Å; Q634-M1004 HydrophobicContact CB-CB 3.86Å; Q634-M1004 HydrophobicContact CB-CE 3.71Å; Q634-M1004 HydrophobicContact CB-CG 4.49Å; Q634-M1004 HydrophobicContact CB-SD 3.8Å; Q634-M1004 HydrophobicContact CG-CB 3.97Å; Q634-M1004 HydrophobicContact CG-SD 4.28Å; Q634-M1005 HydrophobicContact CG-CG 4.13Å; Q634-M1005 HydrophobicContact CG-SD 3.96Å |
| 635 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.6 | -34.5 | 179.7 | -69.9 | 168.9 | 0 | 0 | 0 | 112.7 | M599 L602 L619 L623 L628 Y631 L632 I633 V638 L649 L653 M1004 | M599-L635 HydrophobicContact CG-CD2 4.36Å; M599-L635 HydrophobicContact SD-CD2 4.4Å; L602-L635 HydrophobicContact CD1-CD2 3.99Å; L619-L635 HydrophobicContact CD1-CD2 3.85Å; L623-L635 HydrophobicContact CD2-CD1 4.08Å; L628-L635 HydrophobicContact CD1-CD1 3.38Å; Y631-L635 PolarHBondContact O-N 2.99Å; Y631-L635 VanDerWaalsContact O-N 3.1Å; L632-L635 PolarHBondContact O-N 2.95Å; I633-L635 PolarHBondContact O-N 3.21Å; L635-V638 VanDerWaalsContact O-CG2 3.27Å; L635-V638 WeakPolarHBondContact O-CG2 3.38Å; L635-L649 HydrophobicContact CD2-CD1 4.36Å; L635-L653 HydrophobicContact CB-CD1 4.2Å; L635-L653 HydrophobicContact CB-CD2 4.05Å; L635-L653 HydrophobicContact CD1-CD2 4.29Å; L635-M1004 HydrophobicContact CD2-CE 4.13Å |
| 636 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.3 | -38.8 | 171.2 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | L632 I633 Q634 L639 F667 H670 L671 F684 | L632-V636 HydrophobicContact CD1-CG2 4.37Å; L632-V636 HydrophobicContact CG-CG2 4.38Å; L632-V636 WeakPolarHBondContact O-CB 3.45Å; L632-V636 WeakPolarHBondContact O-CG2 3.17Å; L632-V636 PolarHBondContact O-N 2.71Å; I633-V636 PolarHBondContact O-N 2.83Å; Q634-V636 VanDerWaalsContact C-N 3.3Å; Q634-V636 PolarHBondContact O-N 3.45Å; V636-L639 WeakPolarHBondContact O-CB 3.43Å; V636-L639 PolarHBondContact O-N 3.47Å; V636-F667 HydrophobicContact CG2-CD2 4.11Å; V636-H670 HydrophobicContact CB-CB 4.44Å; V636-H670 HydrophobicContact CG1-CB 4.15Å; V636-H670 HydrophobicContact CG2-CB 4.26Å; V636-L671 HydrophobicContact CG1-CD2 3.78Å; V636-L671 HydrophobicContact CG1-CG 4.39Å; V636-F684 HydrophobicContact CG1-CE2 4.42Å; V636-F684 HydrophobicContact CG1-CZ 4.1Å |
| 637 | Q | 98.4 | Very high | 98.3 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 4% | 0.042 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 178.1 | -68.8 | -47.7 | -63.4 | 0 | 0 | 112.9 | I633 Q634 L639 K640 E674 M1004 M1005 S1008 | I633-Q637 WeakPolarHBondContact O-CG 3.18Å; I633-Q637 PolarHBondContact O-N 2.9Å; Q634-Q637 WeakPolarHBondContact O-CB 3.47Å; Q634-Q637 PolarHBondContact O-N 2.88Å; Q634-Q637 VanDerWaalsContact O-N 3.07Å; Q637-L639 PolarHBondContact O-N 2.95Å; Q637-K640 VanDerWaalsContact O-CB 3.24Å; Q637-K640 WeakPolarHBondContact O-CB 3.36Å; Q637-K640 WeakPolarHBondContact O-CG 3.21Å; Q637-K640 PolarHBondContact O-N 3.24Å; Q637-K640 VanDerWaalsContact OE1-CE 3.29Å; Q637-E674 PolarHBondContact NE2-OE1 3.38Å; Q637-E674 PolarHBondContact OE1-OE1 3.12Å; Q637-M1004 VanDerWaalsContact CB-O 3.31Å; Q637-M1004 WeakPolarHBondContact CB-O 3.32Å; Q637-M1005 HydrophobicContact CB-SD 4.19Å; Q637-M1005 HydrophobicContact CG-CE 3.71Å; Q637-M1005 HydrophobicContact CG-SD 3.44Å; Q637-M1005 WeakPolarHBondContact CG-SD 3.46Å; Q637-S1008 VanDerWaalsContact OE1-CB 3.3Å |
| 638 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.9 | -14.2 | -178 | -65.9 | 0 | 0 | 0 | 0 | 113.8 | L602 Q634 L635 K640 Y641 L649 M1004 | L602-V638 HydrophobicContact CB-CB 4.34Å; L602-V638 HydrophobicContact CB-CG1 4.45Å; L602-V638 HydrophobicContact CB-CG2 4.14Å; L602-V638 WeakPolarHBondContact O-CB 3.47Å; L602-V638 WeakPolarHBondContact O-CG1 3.38Å; Q634-V638 WeakPolarHBondContact O-CG2 3.12Å; Q634-V638 PolarHBondContact O-N 3.21Å; L635-V638 VanDerWaalsContact O-CG2 3.27Å; L635-V638 WeakPolarHBondContact O-CG2 3.38Å; V638-K640 PolarHBondContact O-N 2.69Å; V638-K640 VanDerWaalsContact O-N 3.1Å; V638-Y641 HydrophobicContact CB-CD2 4.01Å; V638-Y641 HydrophobicContact CB-CE2 4.46Å; V638-Y641 HydrophobicContact CG1-CD2 3.96Å; V638-Y641 HydrophobicContact CG1-CE2 3.99Å; V638-Y641 WeakPolarHBondContact O-CB 3.39Å; V638-Y641 PolarHBondContact O-N 2.98Å; V638-L649 HydrophobicContact CG2-CD2 3.63Å; V638-M1004 HydrophobicContact CB-CE 4.42Å; V638-M1004 HydrophobicContact CG1-CB 3.7Å; V638-M1004 HydrophobicContact CG1-CE 3.57Å; V638-M1004 HydrophobicContact CG1-CG 3.71Å; V638-M1004 HydrophobicContact CG2-CE 3.94Å |
| 639 | L | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -19.8 | 168.4 | -70.1 | 173.2 | 0 | 0 | 0 | 112.7 | V636 Q637 Y641 L649 A650 L653 R683 F684 L687 | V636-L639 WeakPolarHBondContact O-CB 3.43Å; V636-L639 PolarHBondContact O-N 3.47Å; Q637-L639 PolarHBondContact O-N 2.95Å; L639-Y641 VanDerWaalsContact C-N 3.29Å; L639-L649 HydrophobicContact CD2-CB 4.3Å; L639-L649 HydrophobicContact CD2-CD2 3.92Å; L639-L649 HydrophobicContact CD2-CG 3.84Å; L639-L649 HydrophobicContact CG-CD2 4.42Å; L639-A650 HydrophobicContact CD2-CB 3.97Å; L639-L653 HydrophobicContact CD1-CD1 3.97Å; L639-L653 HydrophobicContact CD2-CD1 4.22Å; L639-L653 HydrophobicContact CG-CD1 4.11Å; L639-R683 WeakPolarHBondContact O-CD 3.19Å; L639-F684 HydrophobicContact CB-CE1 4.27Å; L639-L687 HydrophobicContact CD1-CD2 3.83Å |
| 640 | K | 98.1 | Very high | 98.4 | Very high | 19 Ų | 19 | 13.9 Ų | 13.9 | 8% | 0.083 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -22.8 | 175.9 | -58.5 | -179.4 | -178.2 | 177.1 | 0 | 112.8 | Q637 V638 E674 V680 F684 G1007 | Q637-K640 VanDerWaalsContact O-CB 3.24Å; Q637-K640 WeakPolarHBondContact O-CB 3.36Å; Q637-K640 WeakPolarHBondContact O-CG 3.21Å; Q637-K640 PolarHBondContact O-N 3.24Å; Q637-K640 VanDerWaalsContact OE1-CE 3.29Å; V638-K640 PolarHBondContact O-N 2.69Å; V638-K640 VanDerWaalsContact O-N 3.1Å; K640-E674 WeakPolarHBondContact CE-OE2 3.43Å; K640-E674 IonicContact NZ-OE1 3.99Å; K640-E674 PolarHBondContact NZ-OE1 3.05Å; K640-E674 IonicContact NZ-OE2 3.88Å; K640-E674 PolarHBondContact NZ-OE2 3.31Å; K640-V680 HydrophobicContact CD-CG1 3.81Å; K640-V680 HydrophobicContact CG-CG1 3.66Å; K640-F684 HydrophobicContact CG-CZ 4.14Å; K640-G1007 WeakPolarHBondContact CD-O 3.32Å; K640-G1007 PolarHBondContact NZ-O 3.44Å |
| 641 | Y | 97.9 | Very high | 98.5 | Very high | 28 Ų | 28 | 16.1 Ų | 16.1 | 11% | 0.11 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -13.8 | 178 | -52.6 | -43.8 | 0 | 0 | 0 | 112.8 | I459 C604 V638 L639 Q643 L1006 G1007 | I459-Y641 HydrophobicContact CG2-CE1 4.16Å; C604-Y641 HydrophobicContact CB-CD1 3.99Å; C604-Y641 HydrophobicContact CB-CD2 4.28Å; C604-Y641 HydrophobicContact CB-CE1 3.88Å; C604-Y641 HydrophobicContact CB-CE2 4.16Å; C604-Y641 HydrophobicContact CB-CG 4.2Å; V638-Y641 HydrophobicContact CB-CD2 4.01Å; V638-Y641 HydrophobicContact CB-CE2 4.46Å; V638-Y641 HydrophobicContact CG1-CD2 3.96Å; V638-Y641 HydrophobicContact CG1-CE2 3.99Å; V638-Y641 WeakPolarHBondContact O-CB 3.39Å; V638-Y641 PolarHBondContact O-N 2.98Å; L639-Y641 VanDerWaalsContact C-N 3.29Å; Y641-Q643 PolarHBondContact O-N 2.65Å; Y641-L1006 WeakPolarHBondContact OH-CB 3.48Å; Y641-G1007 PolarHBondContact OH-N 3.21Å |
| 642 | E | 98.4 | Very high | 98.5 | Very high | 15 Ų | 15 | 16.3 Ų | 16.3 | 7% | 0.07 | 8% | 0.079 | C | C | . | . | trans | -63 | 127.1 | 175.2 | -69.9 | -63.4 | 151.9 | 0 | 0 | 110.9 | R612 Y644 N647 R683 | R612-E642 WeakPolarHBondContact CD-OE1 2.96Å; R612-E642 IonicContact CZ-OE1 3.13Å; R612-E642 IonicContact NE-OE1 2.94Å; R612-E642 IonicContact NH1-OE1 3.84Å; R612-E642 PolarHBondContact NH1-OE1 2.71Å; E642-Y644 PolarHBondContact O-N 2.82Å; E642-N647 WeakPolarHBondContact CB-ND2 3.48Å; E642-R683 PolarHBondContact O-NH2 3.19Å | ||
| 643 | Q | 97.3 | Very high | 98.5 | Very high | 15 Ų | 15 | 16.2 Ų | 16.2 | 7% | 0.07 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -63 | -32.3 | -176.1 | -64.7 | -167 | -72.7 | 0 | 0 | 113.2 | A399 N428 Y641 | A399-Q643 PolarHBondContact O-NE2 3.19Å; N428-Q643 PolarHBondContact ND2-O 3.19Å; N428-Q643 PolarHBondContact OD1-NE2 2.96Å; N428-Q643 VanDerWaalsContact OD1-NE2 3.1Å; Y641-Q643 PolarHBondContact O-N 2.65Å |
| 644 | Y | 98.1 | Very high | 98.5 | Very high | 24 Ų | 24 | 15 Ų | 15 | 9% | 0.094 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -129.4 | 156.1 | -172.5 | -51.8 | -62.2 | 0 | 0 | 0 | 111.5 | E135 R398 F430 D431 Y432 E642 N647 R683 | E135-Y644 WeakPolarHBondContact OE1-CA 3.32Å; E135-Y644 WeakPolarHBondContact OE1-CB 3.33Å; R398-Y644 PolarHBondContact NH1-OH 2.9Å; R398-Y644 PolarHBondContact NH2-OH 3.3Å; R398-Y644 VanDerWaalsContact NH2-OH 3.07Å; F430-Y644 PolarHBondContact O-OH 2.87Å; D431-Y644 PolarHBondContact O-OH 3.22Å; D431-Y644 VanDerWaalsContact O-OH 3.07Å; Y432-Y644 VanDerWaalsContact N-CE1 3.27Å; E642-Y644 PolarHBondContact O-N 2.82Å; Y644-N647 PolarHBondContact O-ND2 3.45Å; Y644-R683 PolarHBondContact O-NH1 3.19Å; Y644-R683 PolarHBondContact O-NH2 3.38Å |
| 645 | L | 98.4 | Very high | 98.5 | Very high | 13 Ų | 13 | 17.9 Ų | 17.9 | 7% | 0.068 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -61.5 | -46.1 | 178.7 | -66.4 | 175.6 | 0 | 0 | 0 | 111.7 | E135 V136 F139 N647 R683 L686 | E135-L645 HydrophobicContact CG-CB 4.45Å; E135-L645 HydrophobicContact CG-CD1 4.17Å; E135-L645 HydrophobicContact CG-CG 4.38Å; E135-L645 PolarHBondContact OE1-N 3.38Å; V136-L645 HydrophobicContact CB-CD1 4.38Å; V136-L645 HydrophobicContact CG2-CD1 3.7Å; F139-L645 HydrophobicContact CB-CB 4.01Å; F139-L645 HydrophobicContact CB-CD1 4.28Å; F139-L645 HydrophobicContact CD2-CB 3.76Å; F139-L645 HydrophobicContact CE2-CB 4.44Å; F139-L645 VanDerWaalsContact CE2-O 3.29Å; F139-L645 WeakPolarHBondContact CE2-O 3.31Å; F139-L645 HydrophobicContact CG-CB 3.9Å; L645-N647 PolarHBondContact O-ND2 2.83Å; L645-R683 HydrophobicContact CD2-CB 3.77Å; L645-R683 HydrophobicContact CD2-CG 3.87Å; L645-L686 HydrophobicContact CD1-CD1 3.8Å; L645-L686 HydrophobicContact CD2-CD1 4.38Å |
| 646 | D | 98.4 | Very high | 98.5 | Very high | 48 Ų | 48 | 20.1 Ų | 20.1 | 26% | 0.257 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -92.2 | 111.1 | 179.2 | -162.2 | -11.1 | 0 | 0 | 0 | 110.4 | F139 N142 R651 | F139-D646 HydrophobicContact CD2-CB 3.96Å; N142-D646 WeakPolarHBondContact CB-OD2 3.49Å; D646-R651 IonicContact OD1-CZ 3.54Å; D646-R651 IonicContact OD1-NE 3.55Å; D646-R651 PolarHBondContact OD1-NE 3.19Å; D646-R651 IonicContact OD1-NH2 3.74Å; D646-R651 PolarHBondContact OD1-NH2 3.49Å; D646-R651 IonicContact OD2-CZ 3.76Å; D646-R651 IonicContact OD2-NE 3.76Å; D646-R651 IonicContact OD2-NH2 3.45Å; D646-R651 PolarHBondContact OD2-NH2 2.86Å |
| 647 | N | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 20.1 Ų | 20.1 | 6% | 0.059 | 10% | 0.095 | C | C | . | . | trans | -152.6 | 162.6 | -178.7 | 63.5 | 73.5 | 0 | 0 | 0 | 110.9 | E642 Y644 L645 L649 A650 R651 | E642-N647 WeakPolarHBondContact CB-ND2 3.48Å; Y644-N647 PolarHBondContact O-ND2 3.45Å; L645-N647 PolarHBondContact O-ND2 2.83Å; N647-L649 VanDerWaalsContact C-N 3.3Å; N647-L649 PolarHBondContact O-N 3.18Å; N647-L649 WeakPolarHBondContact OD1-CB 3.37Å; N647-L649 PolarHBondContact OD1-N 2.73Å; N647-L649 VanDerWaalsContact OD1-N 3.15Å; N647-A650 PolarHBondContact O-N 2.94Å; N647-A650 PolarHBondContact OD1-N 3.02Å; N647-R651 WeakPolarHBondContact O-CG 3.33Å; N647-R651 PolarHBondContact O-N 3.45Å | ||
| 648 | P | 98.7 | Very high | 98.5 | Very high | 52 Ų | 52 | 19.7 Ų | 19.7 | 34% | 0.338 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -57.2 | -38.6 | -177.9 | -27.1 | 36 | 0 | 0 | 0 | 114 | E613 V616 R651 F652 | E613-P648 HydrophobicContact CB-CG 4.33Å; E613-P648 HydrophobicContact CG-CG 4.17Å; V616-P648 HydrophobicContact CB-CB 4.17Å; V616-P648 HydrophobicContact CG1-CB 4.04Å; V616-P648 HydrophobicContact CG2-CB 4.18Å; P648-R651 PolarHBondContact O-N 2.95Å; P648-F652 WeakPolarHBondContact O-CB 3.42Å; P648-F652 PolarHBondContact O-N 3.25Å |
| 649 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.8 | -45.7 | -177.6 | -179.8 | 62.8 | 0 | 0 | 0 | 111.9 | L602 V616 L635 V638 L639 N647 R651 F652 L653 | L602-L649 HydrophobicContact CD1-CD1 4.13Å; L602-L649 HydrophobicContact CD1-CD2 4.29Å; V616-L649 HydrophobicContact CG2-CB 3.83Å; V616-L649 HydrophobicContact CG2-CD1 4.13Å; L635-L649 HydrophobicContact CD2-CD1 4.36Å; V638-L649 HydrophobicContact CG2-CD2 3.63Å; L639-L649 HydrophobicContact CD2-CB 4.3Å; L639-L649 HydrophobicContact CD2-CD2 3.92Å; L639-L649 HydrophobicContact CD2-CG 3.84Å; L639-L649 HydrophobicContact CG-CD2 4.42Å; N647-L649 VanDerWaalsContact C-N 3.3Å; N647-L649 PolarHBondContact O-N 3.18Å; N647-L649 WeakPolarHBondContact OD1-CB 3.37Å; N647-L649 PolarHBondContact OD1-N 2.73Å; N647-L649 VanDerWaalsContact OD1-N 3.15Å; L649-R651 VanDerWaalsContact C-N 3.3Å; L649-R651 PolarHBondContact O-N 2.96Å; L649-F652 HydrophobicContact CD1-CD1 4.35Å; L649-F652 PolarHBondContact O-N 3.07Å; L649-L653 HydrophobicContact CD1-CD1 4.04Å; L649-L653 HydrophobicContact CD1-CG 4.05Å; L649-L653 HydrophobicContact CG-CD1 4.08Å; L649-L653 HydrophobicContact CG-CG 4.44Å; L649-L653 WeakPolarHBondContact O-CG 3.42Å; L649-L653 PolarHBondContact O-N 3.29Å |
| 650 | A | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L639 N647 L654 | L639-A650 HydrophobicContact CD2-CB 3.97Å; N647-A650 PolarHBondContact O-N 2.94Å; N647-A650 PolarHBondContact OD1-N 3.02Å; A650-L654 VanDerWaalsContact O-CB 3.28Å; A650-L654 WeakPolarHBondContact O-CB 3.36Å; A650-L654 PolarHBondContact O-N 3.42Å |
| 651 | R | 98.9 | Very high | 98.5 | Very high | 68 Ų | 68 | 21.7 Ų | 21.7 | 26% | 0.257 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -64.6 | -46.5 | 176.1 | -68.5 | 177.3 | 171.7 | -85.9 | -5.4 | 112 | I143 V146 D646 N647 P648 L649 K655 | I143-R651 HydrophobicContact CD1-CG 4.06Å; V146-R651 HydrophobicContact CG2-CB 4Å; V146-R651 HydrophobicContact CG2-CG 3.94Å; D646-R651 IonicContact OD1-CZ 3.54Å; D646-R651 IonicContact OD1-NE 3.55Å; D646-R651 PolarHBondContact OD1-NE 3.19Å; D646-R651 IonicContact OD1-NH2 3.74Å; D646-R651 PolarHBondContact OD1-NH2 3.49Å; D646-R651 IonicContact OD2-CZ 3.76Å; D646-R651 IonicContact OD2-NE 3.76Å; D646-R651 IonicContact OD2-NH2 3.45Å; D646-R651 PolarHBondContact OD2-NH2 2.86Å; N647-R651 WeakPolarHBondContact O-CG 3.33Å; N647-R651 PolarHBondContact O-N 3.45Å; P648-R651 PolarHBondContact O-N 2.95Å; L649-R651 VanDerWaalsContact C-N 3.3Å; L649-R651 PolarHBondContact O-N 2.96Å; R651-K655 WeakPolarHBondContact O-CB 3.43Å; R651-K655 PolarHBondContact O-N 2.97Å |
| 652 | F | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.7 | -51.2 | 177.2 | 166.9 | -107.6 | 0 | 0 | 0 | 112 | V616 L619 E620 L623 L628 P648 L649 K655 K656 | V616-F652 HydrophobicContact CG1-CB 3.9Å; V616-F652 HydrophobicContact CG1-CG 4.31Å; L619-F652 HydrophobicContact CB-CE1 4.13Å; L619-F652 HydrophobicContact CB-CZ 4.06Å; L619-F652 HydrophobicContact CD1-CE1 4.27Å; E620-F652 HydrophobicContact CG-CD2 3.51Å; E620-F652 HydrophobicContact CG-CE2 3.87Å; E620-F652 HydrophobicContact CG-CG 4.38Å; L623-F652 HydrophobicContact CD2-CE1 4.37Å; L623-F652 HydrophobicContact CD2-CZ 4.26Å; L628-F652 HydrophobicContact CD1-CE1 4.38Å; L628-F652 HydrophobicContact CD2-CE1 4.49Å; L628-F652 HydrophobicContact CD2-CZ 4.27Å; P648-F652 WeakPolarHBondContact O-CB 3.42Å; P648-F652 PolarHBondContact O-N 3.25Å; L649-F652 HydrophobicContact CD1-CD1 4.35Å; L649-F652 PolarHBondContact O-N 3.07Å; F652-K655 PolarHBondContact O-N 2.94Å; F652-K656 HydrophobicContact CD2-CG 4.16Å; F652-K656 HydrophobicContact CE2-CD 4.35Å; F652-K656 HydrophobicContact CE2-CG 3.74Å; F652-K656 HydrophobicContact CZ-CG 3.96Å; F652-K656 WeakPolarHBondContact O-CG 3.48Å; F652-K656 PolarHBondContact O-N 2.89Å |
| 653 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | -178.4 | -67.2 | 177.5 | 0 | 0 | 0 | 111.8 | L628 L632 L635 L639 L649 K656 A657 F667 | L628-L653 HydrophobicContact CD1-CD2 3.9Å; L632-L653 HydrophobicContact CD1-CD2 4.41Å; L635-L653 HydrophobicContact CB-CD1 4.2Å; L635-L653 HydrophobicContact CB-CD2 4.05Å; L635-L653 HydrophobicContact CD1-CD2 4.29Å; L639-L653 HydrophobicContact CD1-CD1 3.97Å; L639-L653 HydrophobicContact CD2-CD1 4.22Å; L639-L653 HydrophobicContact CG-CD1 4.11Å; L649-L653 HydrophobicContact CD1-CD1 4.04Å; L649-L653 HydrophobicContact CD1-CG 4.05Å; L649-L653 HydrophobicContact CG-CD1 4.08Å; L649-L653 HydrophobicContact CG-CG 4.44Å; L649-L653 WeakPolarHBondContact O-CG 3.42Å; L649-L653 PolarHBondContact O-N 3.29Å; L653-K656 PolarHBondContact O-N 3.46Å; L653-A657 VanDerWaalsContact O-CB 3.26Å; L653-A657 WeakPolarHBondContact O-CB 3.36Å; L653-A657 PolarHBondContact O-N 2.98Å; L653-F667 HydrophobicContact CB-CE2 3.89Å |
| 654 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 176 | -178.8 | 63.5 | 0 | 0 | 0 | 111.6 | I143 V146 A650 K656 A657 L658 F667 L687 S690 Y691 | I143-L654 HydrophobicContact CD1-CD2 3.71Å; I143-L654 HydrophobicContact CG1-CD2 3.41Å; I143-L654 VanDerWaalsContact CG1-CD2 3.41Å; V146-L654 HydrophobicContact CB-CD2 4.25Å; V146-L654 HydrophobicContact CG1-CB 4.24Å; V146-L654 HydrophobicContact CG1-CD2 4.1Å; V146-L654 HydrophobicContact CG1-CG 4.11Å; A650-L654 VanDerWaalsContact O-CB 3.28Å; A650-L654 WeakPolarHBondContact O-CB 3.36Å; A650-L654 PolarHBondContact O-N 3.42Å; L654-K656 PolarHBondContact O-N 3.37Å; L654-A657 PolarHBondContact O-N 3.05Å; L654-L658 HydrophobicContact CD1-CD1 3.85Å; L654-L658 HydrophobicContact CD1-CG 4.09Å; L654-L658 HydrophobicContact CG-CD1 3.88Å; L654-L658 HydrophobicContact CG-CG 4.44Å; L654-L658 WeakPolarHBondContact O-CB 3.41Å; L654-L658 VanDerWaalsContact O-CG 3.31Å; L654-L658 WeakPolarHBondContact O-CG 3.13Å; L654-L658 PolarHBondContact O-N 2.93Å; L654-F667 HydrophobicContact CD1-CE1 4.35Å; L654-L687 HydrophobicContact CB-CD1 4.17Å; L654-L687 HydrophobicContact CD1-CD1 4.37Å; L654-L687 HydrophobicContact CD2-CD1 4.33Å; L654-S690 WeakPolarHBondContact CD2-OG 3.29Å; L654-Y691 HydrophobicContact CD1-CD2 4.46Å |
| 655 | K | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 19.8 Ų | 19.8 | 27% | 0.27 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -57.2 | -50.8 | 176.3 | -174.1 | 169.9 | 177.2 | 170 | 0 | 110.5 | V146 E149 R651 F652 A657 L658 T659 | V146-K655 HydrophobicContact CG1-CB 3.77Å; E149-K655 WeakPolarHBondContact OE1-CE 3.49Å; E149-K655 IonicContact OE1-NZ 3.38Å; E149-K655 PolarHBondContact OE1-NZ 2.95Å; E149-K655 IonicContact OE2-NZ 2.7Å; E149-K655 PolarHBondContact OE2-NZ 3.41Å; E149-K655 VanDerWaalsContact OE2-NZ 3.17Å; R651-K655 WeakPolarHBondContact O-CB 3.43Å; R651-K655 PolarHBondContact O-N 2.97Å; F652-K655 PolarHBondContact O-N 2.94Å; K655-A657 PolarHBondContact O-N 3.39Å; K655-L658 PolarHBondContact O-N 3.36Å; K655-T659 VanDerWaalsContact O-CG2 3.32Å; K655-T659 WeakPolarHBondContact O-CG2 3.36Å; K655-T659 PolarHBondContact O-N 2.91Å; K655-T659 PolarHBondContact O-OG1 3.11Å; K655-T659 VanDerWaalsContact O-OG1 3.1Å |
| 656 | K | 98.8 | Very high | 98.7 | Very high | 47 Ų | 47 | 21.5 Ų | 21.5 | 20% | 0.204 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 178.5 | -73.6 | -68.9 | -165.5 | 169.2 | 0 | 113 | D625 L628 F652 L653 L654 L658 T659 N660 | D625-K656 IonicContact OD1-NZ 3.59Å; D625-K656 PolarHBondContact OD1-NZ 3.29Å; L628-K656 HydrophobicContact CD2-CB 3.57Å; L628-K656 HydrophobicContact CD2-CD 3.93Å; L628-K656 HydrophobicContact CD2-CG 3.55Å; F652-K656 HydrophobicContact CD2-CG 4.16Å; F652-K656 HydrophobicContact CE2-CD 4.35Å; F652-K656 HydrophobicContact CE2-CG 3.74Å; F652-K656 HydrophobicContact CZ-CG 3.96Å; F652-K656 WeakPolarHBondContact O-CG 3.48Å; F652-K656 PolarHBondContact O-N 2.89Å; L653-K656 PolarHBondContact O-N 3.46Å; L654-K656 PolarHBondContact O-N 3.37Å; K656-L658 VanDerWaalsContact C-N 3.29Å; K656-L658 PolarHBondContact O-N 2.74Å; K656-T659 PolarHBondContact O-N 3.4Å; K656-T659 PolarHBondContact O-OG1 2.89Å; K656-N660 PolarHBondContact O-N 3.08Å |
| 657 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.6 | -34.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L653 L654 K655 I663 G664 F667 Y691 | L653-A657 VanDerWaalsContact O-CB 3.26Å; L653-A657 WeakPolarHBondContact O-CB 3.36Å; L653-A657 PolarHBondContact O-N 2.98Å; L654-A657 PolarHBondContact O-N 3.05Å; K655-A657 PolarHBondContact O-N 3.39Å; A657-I663 HydrophobicContact CB-CG2 4.5Å; A657-G664 WeakPolarHBondContact O-CA 3.3Å; A657-F667 HydrophobicContact CB-CB 4.03Å; A657-F667 HydrophobicContact CB-CD1 3.67Å; A657-F667 HydrophobicContact CB-CD2 4.5Å; A657-F667 HydrophobicContact CB-CE1 4.16Å; A657-F667 HydrophobicContact CB-CG 3.83Å; A657-Y691 HydrophobicContact CB-CD2 4.04Å; A657-Y691 HydrophobicContact CB-CE2 4.04Å |
| 658 | L | 98.6 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -85.4 | -16.2 | 179.3 | -69.2 | 175.5 | 0 | 0 | 0 | 113.9 | C147 A150 R154 Y165 L654 K655 K656 Y691 A694 C695 | C147-L658 HydrophobicContact CB-CD1 4.46Å; A150-L658 HydrophobicContact CB-CB 3.51Å; A150-L658 HydrophobicContact CB-CD1 4.16Å; R154-L658 VanDerWaalsContact CD-O 3.31Å; R154-L658 WeakPolarHBondContact CD-O 3Å; R154-L658 PolarHBondContact NH1-O 2.97Å; Y165-L658 WeakPolarHBondContact CD2-O 3.28Å; Y165-L658 WeakPolarHBondContact CE2-O 3.07Å; L654-L658 HydrophobicContact CD1-CD1 3.85Å; L654-L658 HydrophobicContact CD1-CG 4.09Å; L654-L658 HydrophobicContact CG-CD1 3.88Å; L654-L658 HydrophobicContact CG-CG 4.44Å; L654-L658 WeakPolarHBondContact O-CB 3.41Å; L654-L658 VanDerWaalsContact O-CG 3.31Å; L654-L658 WeakPolarHBondContact O-CG 3.13Å; L654-L658 PolarHBondContact O-N 2.93Å; K655-L658 PolarHBondContact O-N 3.36Å; K656-L658 VanDerWaalsContact C-N 3.29Å; K656-L658 PolarHBondContact O-N 2.74Å; L658-Y691 HydrophobicContact CD2-CD2 3.71Å; L658-Y691 HydrophobicContact CD2-CE2 4.05Å; L658-Y691 HydrophobicContact CG-CD2 4.23Å; L658-A694 HydrophobicContact CD1-CB 3.65Å; L658-A694 VanDerWaalsContact CD2-C 3.49Å; L658-A694 HydrophobicContact CD2-CB 3.65Å; L658-A694 HydrophobicContact CG-CB 4.31Å; L658-C695 HydrophobicContact CD2-CB 4.15Å |
| 659 | T | 98.1 | Very high | 98.8 | Very high | 34 Ų | 34 | 16.4 Ų | 16.4 | 21% | 0.209 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -100.7 | -10.2 | 176.4 | 59 | 0 | 0 | 0 | 0 | 113.7 | A150 L153 K655 K656 | A150-T659 HydrophobicContact CB-CG2 4.01Å; L153-T659 HydrophobicContact CD2-CG2 3.85Å; K655-T659 VanDerWaalsContact O-CG2 3.32Å; K655-T659 WeakPolarHBondContact O-CG2 3.36Å; K655-T659 PolarHBondContact O-N 2.91Å; K655-T659 PolarHBondContact O-OG1 3.11Å; K655-T659 VanDerWaalsContact O-OG1 3.1Å; K656-T659 PolarHBondContact O-N 3.4Å; K656-T659 PolarHBondContact O-OG1 2.89Å |
| 660 | N | 98.6 | Very high | 98.8 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | trans | -140.9 | 107.1 | 177.8 | -178.3 | -46.2 | 0 | 0 | 0 | 109.6 | P168 D625 K656 R662 I663 G664 | P168-N660 VanDerWaalsContact CG-OD1 3.31Å; P168-N660 WeakPolarHBondContact CG-OD1 3.4Å; D625-N660 PolarHBondContact OD2-ND2 3.34Å; K656-N660 PolarHBondContact O-N 3.08Å; N660-R662 VanDerWaalsContact C-N 3.25Å; N660-R662 PolarHBondContact O-N 2.75Å; N660-R662 WeakPolarHBondContact OD1-CB 3.28Å; N660-R662 PolarHBondContact OD1-N 2.91Å; N660-R662 VanDerWaalsContact OD1-N 3.15Å; N660-I663 HydrophobicContact CB-CB 4.22Å; N660-I663 HydrophobicContact CB-CD1 3.92Å; N660-I663 HydrophobicContact CB-CG1 4.25Å; N660-I663 PolarHBondContact O-N 3.07Å; N660-I663 VanDerWaalsContact O-N 3.13Å; N660-I663 PolarHBondContact OD1-N 3.16Å; N660-I663 VanDerWaalsContact OD1-N 3.11Å; N660-G664 PolarHBondContact O-N 3.13Å | ||
| 661 | Q | 98.4 | Very high | 98.8 | Very high | 25 Ų | 25 | 17 Ų | 17 | 12% | 0.117 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.6 | -27.5 | -173.7 | -168.6 | 178.8 | -92.7 | 0 | 0 | 112.9 | Y165 V166 G664 H665 Y698 | Y165-Q661 HydrophobicContact CD2-CB 4.2Å; Y165-Q661 HydrophobicContact CE2-CB 3.84Å; Y165-Q661 WeakPolarHBondContact O-CB 3.37Å; Y165-Q661 PolarHBondContact O-N 2.94Å; V166-Q661 PolarHBondContact O-NE2 2.98Å; Q661-G664 PolarHBondContact O-N 3.35Å; Q661-H665 WeakPolarHBondContact O-CB 3.39Å; Q661-H665 PolarHBondContact O-N 3.34Å; Q661-Y698 HydrophobicContact CG-CD1 3.83Å; Q661-Y698 HydrophobicContact CG-CD2 3.77Å; Q661-Y698 HydrophobicContact CG-CE1 4.06Å; Q661-Y698 HydrophobicContact CG-CE2 4.02Å; Q661-Y698 HydrophobicContact CG-CG 3.69Å |
| 662 | R | 98.7 | Very high | 98.8 | Very high | 40 Ų | 40 | 15.5 Ų | 15.5 | 15% | 0.151 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 174.1 | -178.1 | 175.7 | 66.3 | -133.1 | 0.6 | 111.4 | P168 P169 N170 N660 F666 | P168-R662 HydrophobicContact CG-CB 3.86Å; P168-R662 PolarHBondContact O-NH1 3.47Å; P169-R662 PolarHBondContact O-NH1 2.82Å; P169-R662 PolarHBondContact O-NH2 3.01Å; P169-R662 VanDerWaalsContact O-NH2 3.1Å; N170-R662 VanDerWaalsContact CA-NH1 3.28Å; N660-R662 VanDerWaalsContact C-N 3.25Å; N660-R662 PolarHBondContact O-N 2.75Å; N660-R662 WeakPolarHBondContact OD1-CB 3.28Å; N660-R662 PolarHBondContact OD1-N 2.91Å; N660-R662 VanDerWaalsContact OD1-N 3.15Å; R662-F666 HydrophobicContact CG-CE2 4.38Å; R662-F666 WeakPolarHBondContact O-CD2 3.21Å |
| 663 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 172.5 | -67.5 | 168.6 | 0 | 0 | 0 | 109.5 | D625 L628 S629 L632 A657 N660 H665 F666 F667 | D625-I663 HydrophobicContact CB-CD1 3.89Å; L628-I663 HydrophobicContact CB-CD1 4.47Å; L628-I663 HydrophobicContact CD2-CD1 3.78Å; L628-I663 HydrophobicContact CD2-CG2 4.44Å; L628-I663 HydrophobicContact CG-CD1 4.09Å; S629-I663 WeakPolarHBondContact OG-CG1 3.35Å; L632-I663 HydrophobicContact CD1-CG2 4.4Å; L632-I663 HydrophobicContact CD2-CG2 4.32Å; A657-I663 HydrophobicContact CB-CG2 4.5Å; N660-I663 HydrophobicContact CB-CB 4.22Å; N660-I663 HydrophobicContact CB-CD1 3.92Å; N660-I663 HydrophobicContact CB-CG1 4.25Å; N660-I663 PolarHBondContact O-N 3.07Å; N660-I663 VanDerWaalsContact O-N 3.13Å; N660-I663 PolarHBondContact OD1-N 3.16Å; N660-I663 VanDerWaalsContact OD1-N 3.11Å; I663-H665 VanDerWaalsContact C-N 3.29Å; I663-H665 PolarHBondContact O-N 2.66Å; I663-F666 PolarHBondContact O-N 2.77Å; I663-F667 VanDerWaalsContact O-CB 3.25Å; I663-F667 WeakPolarHBondContact O-CB 3.39Å; I663-F667 PolarHBondContact O-N 3.29Å |
| 664 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.6 | -39.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A657 N660 Q661 F667 F668 Y691 | A657-G664 WeakPolarHBondContact O-CA 3.3Å; N660-G664 PolarHBondContact O-N 3.13Å; Q661-G664 PolarHBondContact O-N 3.35Å; G664-F667 PolarHBondContact O-N 2.97Å; G664-F668 WeakPolarHBondContact O-CB 3.46Å; G664-F668 PolarHBondContact O-N 3.24Å; G664-Y691 WeakPolarHBondContact CA-OH 3.33Å; G664-Y691 PolarHBondContact O-OH 3.24Å |
| 665 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.8 | -52.5 | 175.7 | 175.3 | 76.4 | 0 | 0 | 0 | 112.8 | Q661 I663 F668 W669 Y698 Q705 P754 P757 | Q661-H665 WeakPolarHBondContact O-CB 3.39Å; Q661-H665 PolarHBondContact O-N 3.34Å; I663-H665 VanDerWaalsContact C-N 3.29Å; I663-H665 PolarHBondContact O-N 2.66Å; H665-F668 PolarHBondContact O-N 3.46Å; H665-W669 AromaticContact CE1-CD1 3.43Å; H665-W669 VanDerWaalsContact CE1-CD1 3.43Å; H665-W669 AromaticContact CE1-NE1 3.37Å; H665-W669 PolarHBondContact CE1-NE1 3.11Å; H665-W669 AromaticContact ND1-CD1 3.88Å; H665-W669 AromaticContact ND1-NE1 3.93Å; H665-W669 AromaticContact NE2-CD1 3.61Å; H665-W669 AromaticContact NE2-NE1 3.94Å; H665-W669 VanDerWaalsContact O-CD1 3.3Å; H665-W669 PolarHBondContact O-N 2.99Å; H665-W669 VanDerWaalsContact O-N 3.16Å; H665-Y698 HydrophobicContact CB-CE1 3.9Å; H665-Y698 AromaticContact ND1-CE1 3.94Å; H665-Y698 AromaticContact ND1-CZ 3.72Å; H665-Y698 PolarHBondContact ND1-OH 3.48Å; H665-Q705 PolarHBondContact CE1-OE1 3.36Å; H665-P754 PolarHBondContact NE2-O 3.22Å; H665-P757 HydrophobicContact CB-CG 4.22Å |
| 666 | F | 98.9 | Very high | 98.2 | Very high | 49 Ų | 49 | 16.4 Ų | 16.4 | 22% | 0.215 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -75 | -32.4 | -179.8 | -68.3 | -65.6 | 0 | 0 | 0 | 112.1 | L632 R662 I663 F668 W669 H670 L755 | L632-F666 HydrophobicContact CD2-CB 3.77Å; R662-F666 HydrophobicContact CG-CE2 4.38Å; R662-F666 WeakPolarHBondContact O-CD2 3.21Å; I663-F666 PolarHBondContact O-N 2.77Å; F666-F668 VanDerWaalsContact C-N 3.32Å; F666-F668 PolarHBondContact O-N 3.43Å; F666-W669 PolarHBondContact O-N 2.95Å; F666-H670 WeakPolarHBondContact O-CB 3.42Å; F666-H670 PolarHBondContact O-CD2 3.15Å; F666-H670 PolarHBondContact O-N 3.34Å; F666-L755 WeakPolarHBondContact CZ-O 3.47Å |
| 667 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 171.2 | 177.9 | -102.4 | 0 | 0 | 0 | 111.1 | L632 V636 L653 L654 A657 I663 G664 L671 L687 Y691 | L632-F667 HydrophobicContact CD2-CB 4.35Å; V636-F667 HydrophobicContact CG2-CD2 4.11Å; L653-F667 HydrophobicContact CB-CE2 3.89Å; L654-F667 HydrophobicContact CD1-CE1 4.35Å; A657-F667 HydrophobicContact CB-CB 4.03Å; A657-F667 HydrophobicContact CB-CD1 3.67Å; A657-F667 HydrophobicContact CB-CD2 4.5Å; A657-F667 HydrophobicContact CB-CE1 4.16Å; A657-F667 HydrophobicContact CB-CG 3.83Å; I663-F667 VanDerWaalsContact O-CB 3.25Å; I663-F667 WeakPolarHBondContact O-CB 3.39Å; I663-F667 PolarHBondContact O-N 3.29Å; G664-F667 PolarHBondContact O-N 2.97Å; F667-L671 HydrophobicContact CD1-CD1 3.87Å; F667-L671 HydrophobicContact CD2-CD1 4.26Å; F667-L671 HydrophobicContact CE1-CD1 3.47Å; F667-L671 VanDerWaalsContact CE1-CD1 3.47Å; F667-L671 HydrophobicContact CE2-CD1 3.9Å; F667-L671 HydrophobicContact CG-CD1 4.28Å; F667-L671 HydrophobicContact CZ-CD1 3.52Å; F667-L671 VanDerWaalsContact O-CG 3.3Å; F667-L671 WeakPolarHBondContact O-CG 3.33Å; F667-L671 PolarHBondContact O-N 3.33Å; F667-L671 VanDerWaalsContact O-N 3.11Å; F667-L687 HydrophobicContact CE1-CG 4.19Å; F667-L687 HydrophobicContact CE2-CD2 4.1Å; F667-L687 HydrophobicContact CZ-CD1 4.1Å; F667-L687 HydrophobicContact CZ-CD2 3.55Å; F667-L687 HydrophobicContact CZ-CG 3.63Å; F667-Y691 HydrophobicContact CD1-CD2 4.17Å; F667-Y691 HydrophobicContact CD1-CG 4.3Å; F667-Y691 HydrophobicContact CE1-CD2 4.41Å; F667-Y691 HydrophobicContact CE1-CG 4.39Å |
| 668 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57 | -53.8 | 173.3 | 173.6 | -91.5 | 0 | 0 | 0 | 111.7 | A120 G664 H665 F666 H670 L671 K672 L688 Y691 L702 V706 | A120-F668 HydrophobicContact CB-CE2 4.01Å; A120-F668 HydrophobicContact CB-CZ 4.1Å; A120-F668 WeakPolarHBondContact O-CZ 3.39Å; G664-F668 WeakPolarHBondContact O-CB 3.46Å; G664-F668 PolarHBondContact O-N 3.24Å; H665-F668 PolarHBondContact O-N 3.46Å; F666-F668 VanDerWaalsContact C-N 3.32Å; F666-F668 PolarHBondContact O-N 3.43Å; F668-H670 PolarHBondContact O-N 2.83Å; F668-L671 PolarHBondContact O-N 3.19Å; F668-K672 HydrophobicContact CD1-CB 4.45Å; F668-K672 HydrophobicContact CE1-CB 4.18Å; F668-K672 HydrophobicContact CE1-CG 4.21Å; F668-K672 HydrophobicContact CZ-CB 4.34Å; F668-K672 HydrophobicContact CZ-CG 4.25Å; F668-K672 WeakPolarHBondContact O-CB 3.44Å; F668-K672 PolarHBondContact O-N 2.93Å; F668-L688 HydrophobicContact CD2-CD2 3.55Å; F668-L688 HydrophobicContact CE2-CD2 4.05Å; F668-L688 HydrophobicContact CG-CD2 4.27Å; F668-Y691 HydrophobicContact CB-CD1 4.33Å; F668-Y691 HydrophobicContact CB-CE1 3.85Å; F668-Y691 HydrophobicContact CD2-CD1 4.23Å; F668-Y691 HydrophobicContact CD2-CE1 4.17Å; F668-Y691 HydrophobicContact CG-CE1 4.4Å; F668-L702 HydrophobicContact CB-CD1 4.2Å; F668-L702 HydrophobicContact CB-CD2 4.48Å; F668-L702 HydrophobicContact CD1-CD1 4.18Å; F668-L702 HydrophobicContact CD1-CD2 3.64Å; F668-L702 HydrophobicContact CD1-CG 4.38Å; F668-L702 HydrophobicContact CD2-CD1 3.84Å; F668-L702 HydrophobicContact CE1-CB 4.39Å; F668-L702 HydrophobicContact CE1-CD2 4.02Å; F668-L702 HydrophobicContact CE2-CD1 4.26Å; F668-L702 HydrophobicContact CG-CD1 3.8Å; F668-L702 HydrophobicContact CG-CD2 4.05Å; F668-L702 HydrophobicContact CG-CG 4.48Å; F668-L702 HydrophobicContact CZ-CB 4.39Å; F668-V706 HydrophobicContact CE1-CG2 4.06Å; F668-V706 HydrophobicContact CZ-CG2 3.95Å |
| 669 | W | 98.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.015 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.3 | -35.2 | -175.7 | -79.9 | 111.3 | 0 | 0 | 0 | 113.6 | H665 F666 K672 S673 Q705 V706 M709 P754 L839 I841 | H665-W669 AromaticContact CE1-CD1 3.43Å; H665-W669 VanDerWaalsContact CE1-CD1 3.43Å; H665-W669 AromaticContact CE1-NE1 3.37Å; H665-W669 PolarHBondContact CE1-NE1 3.11Å; H665-W669 AromaticContact ND1-CD1 3.88Å; H665-W669 AromaticContact ND1-NE1 3.93Å; H665-W669 AromaticContact NE2-CD1 3.61Å; H665-W669 AromaticContact NE2-NE1 3.94Å; H665-W669 VanDerWaalsContact O-CD1 3.3Å; H665-W669 PolarHBondContact O-N 2.99Å; H665-W669 VanDerWaalsContact O-N 3.16Å; F666-W669 PolarHBondContact O-N 2.95Å; W669-K672 HydrophobicContact CE3-CG 4.37Å; W669-K672 HydrophobicContact CZ3-CG 4.33Å; W669-S673 VanDerWaalsContact O-CB 3.28Å; W669-S673 WeakPolarHBondContact O-CB 3.41Å; W669-S673 PolarHBondContact O-N 3.38Å; W669-S673 PolarHBondContact O-OG 3.33Å; W669-S673 VanDerWaalsContact O-OG 3.14Å; W669-Q705 HydrophobicContact CZ2-CB 3.78Å; W669-V706 HydrophobicContact CH2-CG2 3.98Å; W669-V706 HydrophobicContact CZ2-CG2 4.42Å; W669-M709 HydrophobicContact CH2-CG 3.89Å; W669-P754 HydrophobicContact CZ2-CB 4.17Å; W669-P754 HydrophobicContact CZ2-CG 4.18Å; W669-L839 HydrophobicContact CB-CD1 4.16Å; W669-L839 HydrophobicContact CB-CD2 4.09Å; W669-L839 HydrophobicContact CD2-CD2 4.39Å; W669-L839 HydrophobicContact CG-CD2 3.97Å; W669-I841 HydrophobicContact CD2-CG2 4.39Å; W669-I841 HydrophobicContact CE3-CB 3.81Å; W669-I841 HydrophobicContact CE3-CG2 3.76Å; W669-I841 HydrophobicContact CZ3-CB 3.63Å; W669-I841 HydrophobicContact CZ3-CG2 3.85Å |
| 670 | H | 98.8 | Very high | 97.4 | Very high | 17 Ų | 17 | 20.5 Ų | 20.5 | 8% | 0.079 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 175.7 | -65 | -25.9 | 0 | 0 | 0 | 111.8 | V636 F666 F668 S673 | V636-H670 HydrophobicContact CB-CB 4.44Å; V636-H670 HydrophobicContact CG1-CB 4.15Å; V636-H670 HydrophobicContact CG2-CB 4.26Å; F666-H670 WeakPolarHBondContact O-CB 3.42Å; F666-H670 PolarHBondContact O-CD2 3.15Å; F666-H670 PolarHBondContact O-N 3.34Å; F668-H670 PolarHBondContact O-N 2.83Å; H670-S673 PolarHBondContact O-OG 2.95Å |
| 671 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.8 | -45.9 | 173.7 | -65.8 | 173.7 | 0 | 0 | 0 | 111.8 | V636 F667 F668 S673 E674 M675 F684 L687 L688 | V636-L671 HydrophobicContact CG1-CD2 3.78Å; V636-L671 HydrophobicContact CG1-CG 4.39Å; F667-L671 HydrophobicContact CD1-CD1 3.87Å; F667-L671 HydrophobicContact CD2-CD1 4.26Å; F667-L671 HydrophobicContact CE1-CD1 3.47Å; F667-L671 VanDerWaalsContact CE1-CD1 3.47Å; F667-L671 HydrophobicContact CE2-CD1 3.9Å; F667-L671 HydrophobicContact CG-CD1 4.28Å; F667-L671 HydrophobicContact CZ-CD1 3.52Å; F667-L671 VanDerWaalsContact O-CG 3.3Å; F667-L671 WeakPolarHBondContact O-CG 3.33Å; F667-L671 PolarHBondContact O-N 3.33Å; F667-L671 VanDerWaalsContact O-N 3.11Å; F668-L671 PolarHBondContact O-N 3.19Å; L671-S673 VanDerWaalsContact C-N 3.34Å; L671-S673 PolarHBondContact O-N 3.25Å; L671-E674 PolarHBondContact O-N 3.08Å; L671-M675 PolarHBondContact O-N 3.3Å; L671-F684 HydrophobicContact CB-CB 4.43Å; L671-F684 HydrophobicContact CB-CD2 4.47Å; L671-F684 HydrophobicContact CD2-CB 4.09Å; L671-F684 HydrophobicContact CD2-CD1 3.48Å; L671-F684 VanDerWaalsContact CD2-CD1 3.48Å; L671-F684 HydrophobicContact CD2-CD2 3.78Å; L671-F684 HydrophobicContact CD2-CE1 3.71Å; L671-F684 HydrophobicContact CD2-CE2 4Å; L671-F684 HydrophobicContact CD2-CG 3.51Å; L671-F684 HydrophobicContact CD2-CZ 3.96Å; L671-L687 HydrophobicContact CD1-CB 4.36Å; L671-L687 HydrophobicContact CD1-CD2 3.9Å; L671-L687 HydrophobicContact CD1-CG 3.99Å; L671-L687 HydrophobicContact CD2-CD2 4.2Å; L671-L688 HydrophobicContact CB-CD1 4Å; L671-L688 HydrophobicContact CB-CD2 3.82Å; L671-L688 HydrophobicContact CB-CG 3.8Å; L671-L688 HydrophobicContact CD1-CD2 4.03Å; L671-L688 HydrophobicContact CD1-CG 4.06Å |
| 672 | K | 98.3 | Very high | 97.1 | Very high | 35 Ų | 35 | 23.4 Ų | 23.4 | 15% | 0.152 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | -177.2 | 176.9 | 55.9 | -179.5 | 145 | 0 | 112.1 | A120 I121 F668 W669 E674 M675 L688 | A120-K672 WeakPolarHBondContact O-CD 3.49Å; A120-K672 VanDerWaalsContact O-CE 3.31Å; A120-K672 WeakPolarHBondContact O-CE 3.33Å; I121-K672 WeakPolarHBondContact O-CD 3.17Å; I121-K672 WeakPolarHBondContact O-CE 3.45Å; I121-K672 PolarHBondContact O-NZ 3.42Å; F668-K672 HydrophobicContact CD1-CB 4.45Å; F668-K672 HydrophobicContact CE1-CB 4.18Å; F668-K672 HydrophobicContact CE1-CG 4.21Å; F668-K672 HydrophobicContact CZ-CB 4.34Å; F668-K672 HydrophobicContact CZ-CG 4.25Å; F668-K672 WeakPolarHBondContact O-CB 3.44Å; F668-K672 PolarHBondContact O-N 2.93Å; W669-K672 HydrophobicContact CE3-CG 4.37Å; W669-K672 HydrophobicContact CZ3-CG 4.33Å; K672-E674 PolarHBondContact O-N 3.3Å; K672-M675 HydrophobicContact CD-CG 4.29Å; K672-M675 WeakPolarHBondContact O-CB 3.39Å; K672-M675 PolarHBondContact O-N 3.37Å; K672-L688 HydrophobicContact CB-CD1 4.47Å |
| 673 | S | 97.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 6% | 0.056 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.3 | -25.8 | 180 | 64 | 0 | 0 | 0 | 0 | 113 | W669 H670 L671 H676 S840 G842 | W669-S673 VanDerWaalsContact O-CB 3.28Å; W669-S673 WeakPolarHBondContact O-CB 3.41Å; W669-S673 PolarHBondContact O-N 3.38Å; W669-S673 PolarHBondContact O-OG 3.33Å; W669-S673 VanDerWaalsContact O-OG 3.14Å; H670-S673 PolarHBondContact O-OG 2.95Å; L671-S673 VanDerWaalsContact C-N 3.34Å; L671-S673 PolarHBondContact O-N 3.25Å; S673-H676 PolarHBondContact O-CE1 3.1Å; S673-H676 PolarHBondContact O-ND1 3.48Å; S673-S840 WeakPolarHBondContact CB-O 3.27Å; S673-G842 CarbonylContact O-C 3.59Å; S673-G842 WeakPolarHBondContact O-CA 3.5Å |
| 674 | E | 96.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 3.8 | -179.7 | -68.8 | -147.9 | -126.5 | 0 | 0 | 115 | Q637 K640 L671 K672 H676 N677 V680 F684 | Q637-E674 PolarHBondContact NE2-OE1 3.38Å; Q637-E674 PolarHBondContact OE1-OE1 3.12Å; K640-E674 WeakPolarHBondContact CE-OE2 3.43Å; K640-E674 IonicContact NZ-OE1 3.99Å; K640-E674 PolarHBondContact NZ-OE1 3.05Å; K640-E674 IonicContact NZ-OE2 3.88Å; K640-E674 PolarHBondContact NZ-OE2 3.31Å; L671-E674 PolarHBondContact O-N 3.08Å; K672-E674 PolarHBondContact O-N 3.3Å; E674-H676 PolarHBondContact O-N 3.4Å; E674-H676 VanDerWaalsContact O-N 3.1Å; E674-N677 WeakPolarHBondContact O-CB 3.36Å; E674-N677 PolarHBondContact O-N 2.92Å; E674-V680 HydrophobicContact CB-CG2 4.15Å; E674-F684 HydrophobicContact CB-CD2 3.91Å; E674-F684 HydrophobicContact CB-CE2 3.88Å; E674-F684 HydrophobicContact CG-CE2 4.47Å |
| 675 | M | 96.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 5% | 0.049 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.8 | 178.7 | -74.7 | -61 | -60.8 | 0 | 0 | 114.1 | I121 M123 L671 K672 N677 S681 F684 G685 L688 | I121-M675 HydrophobicContact CG2-CE 3.77Å; M123-M675 HydrophobicContact CE-CE 4.03Å; L671-M675 PolarHBondContact O-N 3.3Å; K672-M675 HydrophobicContact CD-CG 4.29Å; K672-M675 WeakPolarHBondContact O-CB 3.39Å; K672-M675 PolarHBondContact O-N 3.37Å; M675-N677 VanDerWaalsContact C-N 3.29Å; M675-S681 WeakPolarHBondContact CE-O 3.41Å; M675-F684 HydrophobicContact SD-CB 3.91Å; M675-G685 PolarHBondContact SD-N 3.15Å; M675-L688 HydrophobicContact CG-CD1 3.89Å; M675-L688 HydrophobicContact SD-CD1 3.87Å |
| 676 | H | 93.1 | Very high | 97.1 | Very high | 68 Ų | 68 | 23.1 Ų | 23.1 | 32% | 0.315 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.8 | 172.2 | 69.4 | -86 | 0 | 0 | 0 | 112.2 | S673 E674 K678 D843 | S673-H676 PolarHBondContact O-CE1 3.1Å; S673-H676 PolarHBondContact O-ND1 3.48Å; E674-H676 PolarHBondContact O-N 3.4Å; E674-H676 VanDerWaalsContact O-N 3.1Å; H676-K678 PolarHBondContact O-N 2.97Å; H676-D843 HydrophobicContact CB-CB 4.18Å; H676-D843 IonicContact CD2-OD2 2.68Å; H676-D843 IonicContact NE2-OD1 3.66Å |
| 677 | N | 93.6 | Very high | 97.1 | Very high | 39 Ų | 39 | 21 Ų | 21 | 21% | 0.209 | 10% | 0.102 | C | C | . | . | trans | -79.5 | 114.4 | -177.6 | -174.2 | -2 | 0 | 0 | 0 | 111.1 | E674 M675 T679 V680 S681 | E674-N677 WeakPolarHBondContact O-CB 3.36Å; E674-N677 PolarHBondContact O-N 2.92Å; M675-N677 VanDerWaalsContact C-N 3.29Å; N677-T679 VanDerWaalsContact CG-OG1 3.29Å; N677-T679 PolarHBondContact ND2-OG1 3.29Å; N677-T679 PolarHBondContact O-N 3.09Å; N677-T679 PolarHBondContact OD1-N 3.39Å; N677-T679 PolarHBondContact OD1-OG1 3.43Å; N677-V680 HydrophobicContact CB-CG2 4.05Å; N677-V680 PolarHBondContact O-N 3.27Å; N677-S681 WeakPolarHBondContact O-CB 3.46Å; N677-S681 PolarHBondContact O-N 3.4Å | ||
| 678 | K | 93.8 | Very high | 97.1 | Very high | 77 Ų | 77 | 21 Ų | 21 | 34% | 0.335 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -25.2 | -174.7 | -63.6 | -50.2 | -169.1 | 175.4 | 0 | 114.4 | W446 P466 H676 V680 S681 | W446-K678 HydrophobicContact CH2-CB 4.41Å; W446-K678 HydrophobicContact CZ3-CB 4.1Å; P466-K678 HydrophobicContact CG-CB 4.32Å; H676-K678 PolarHBondContact O-N 2.97Å; K678-V680 PolarHBondContact O-N 3.42Å; K678-S681 PolarHBondContact O-OG 3.27Å |
| 679 | T | 93.9 | Very high | 97 | Very high | 46 Ų | 46 | 21.1 Ų | 21.1 | 28% | 0.282 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -26.6 | 178.3 | 61.7 | 0 | 0 | 0 | 0 | 112.6 | W446 V461 N677 | W446-T679 HydrophobicContact CE3-CG2 3.99Å; W446-T679 HydrophobicContact CH2-CG2 3.95Å; W446-T679 HydrophobicContact CZ2-CG2 4.49Å; W446-T679 HydrophobicContact CZ3-CG2 3.67Å; V461-T679 HydrophobicContact CG1-CG2 3.97Å; N677-T679 VanDerWaalsContact CG-OG1 3.29Å; N677-T679 PolarHBondContact ND2-OG1 3.29Å; N677-T679 PolarHBondContact O-N 3.09Å; N677-T679 PolarHBondContact OD1-N 3.39Å; N677-T679 PolarHBondContact OD1-OG1 3.43Å |
| 680 | V | 96.3 | Very high | 97 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.024 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -12.8 | -174.6 | -62.3 | 0 | 0 | 0 | 0 | 114.3 | K640 E674 N677 K678 Q682 R683 F684 | K640-V680 HydrophobicContact CD-CG1 3.81Å; K640-V680 HydrophobicContact CG-CG1 3.66Å; E674-V680 HydrophobicContact CB-CG2 4.15Å; N677-V680 HydrophobicContact CB-CG2 4.05Å; N677-V680 PolarHBondContact O-N 3.27Å; K678-V680 PolarHBondContact O-N 3.42Å; V680-Q682 PolarHBondContact O-N 3.35Å; V680-Q682 VanDerWaalsContact O-N 3.07Å; V680-R683 PolarHBondContact O-N 3.29Å; V680-F684 HydrophobicContact CB-CD1 4.35Å; V680-F684 HydrophobicContact CB-CD2 3.99Å; V680-F684 HydrophobicContact CB-CE1 4.44Å; V680-F684 HydrophobicContact CB-CE2 4.1Å; V680-F684 HydrophobicContact CB-CG 4.13Å; V680-F684 HydrophobicContact CB-CZ 4.32Å; V680-F684 HydrophobicContact CG1-CZ 4.48Å; V680-F684 HydrophobicContact CG2-CD2 3.75Å; V680-F684 HydrophobicContact CG2-CE2 3.89Å; V680-F684 HydrophobicContact CG2-CG 4.32Å; V680-F684 PolarHBondContact O-N 3.5Å |
| 681 | S | 95.5 | Very high | 97 | Very high | 11 Ų | 11 | 20.1 Ų | 20.1 | 8% | 0.077 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -49.3 | -39 | -174.5 | 60.6 | 0 | 0 | 0 | 0 | 114.8 | M675 N677 K678 G685 | M675-S681 WeakPolarHBondContact CE-O 3.41Å; N677-S681 WeakPolarHBondContact O-CB 3.46Å; N677-S681 PolarHBondContact O-N 3.4Å; K678-S681 PolarHBondContact O-OG 3.27Å; S681-G685 WeakPolarHBondContact O-CA 3.27Å; S681-G685 PolarHBondContact O-N 3.3Å |
| 682 | Q | 96.2 | Very high | 97 | Very high | 79 Ų | 79 | 20.2 Ų | 20.2 | 37% | 0.369 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -70.2 | -52.8 | 176.4 | -174.5 | -176.6 | 69.3 | 0 | 0 | 111.6 | V136 V680 F684 G685 L686 | V136-Q682 HydrophobicContact CG2-CG 4.46Å; V680-Q682 PolarHBondContact O-N 3.35Å; V680-Q682 VanDerWaalsContact O-N 3.07Å; Q682-F684 PolarHBondContact O-N 3.4Å; Q682-G685 PolarHBondContact O-N 3.32Å; Q682-L686 HydrophobicContact CG-CD1 3.95Å; Q682-L686 WeakPolarHBondContact O-CB 3.47Å; Q682-L686 WeakPolarHBondContact O-CG 3.34Å; Q682-L686 PolarHBondContact O-N 3.35Å |
| 683 | R | 98.4 | Very high | 97 | Very high | 35 Ų | 35 | 19.4 Ų | 19.4 | 13% | 0.132 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.6 | -50.6 | 179.9 | 179 | -176.9 | -68.9 | -92.8 | 2.9 | 111.7 | L639 E642 Y644 L645 V680 L686 L687 | L639-R683 WeakPolarHBondContact O-CD 3.19Å; E642-R683 PolarHBondContact O-NH2 3.19Å; Y644-R683 PolarHBondContact O-NH1 3.19Å; Y644-R683 PolarHBondContact O-NH2 3.38Å; L645-R683 HydrophobicContact CD2-CB 3.77Å; L645-R683 HydrophobicContact CD2-CG 3.87Å; V680-R683 PolarHBondContact O-N 3.29Å; R683-L686 PolarHBondContact O-N 3.25Å; R683-L687 WeakPolarHBondContact O-CB 3.4Å; R683-L687 PolarHBondContact O-N 3.39Å; R683-L687 VanDerWaalsContact O-N 3.11Å |
| 684 | F | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.7 | -35.5 | -178.8 | -72.7 | 3.6 | 0 | 0 | 0 | 111.5 | V636 L639 K640 L671 E674 M675 V680 Q682 L687 L688 | V636-F684 HydrophobicContact CG1-CE2 4.42Å; V636-F684 HydrophobicContact CG1-CZ 4.1Å; L639-F684 HydrophobicContact CB-CE1 4.27Å; K640-F684 HydrophobicContact CG-CZ 4.14Å; L671-F684 HydrophobicContact CB-CB 4.43Å; L671-F684 HydrophobicContact CB-CD2 4.47Å; L671-F684 HydrophobicContact CD2-CB 4.09Å; L671-F684 HydrophobicContact CD2-CD1 3.48Å; L671-F684 VanDerWaalsContact CD2-CD1 3.48Å; L671-F684 HydrophobicContact CD2-CD2 3.78Å; L671-F684 HydrophobicContact CD2-CE1 3.71Å; L671-F684 HydrophobicContact CD2-CE2 4Å; L671-F684 HydrophobicContact CD2-CG 3.51Å; L671-F684 HydrophobicContact CD2-CZ 3.96Å; E674-F684 HydrophobicContact CB-CD2 3.91Å; E674-F684 HydrophobicContact CB-CE2 3.88Å; E674-F684 HydrophobicContact CG-CE2 4.47Å; M675-F684 HydrophobicContact SD-CB 3.91Å; V680-F684 HydrophobicContact CB-CD1 4.35Å; V680-F684 HydrophobicContact CB-CD2 3.99Å; V680-F684 HydrophobicContact CB-CE1 4.44Å; V680-F684 HydrophobicContact CB-CE2 4.1Å; V680-F684 HydrophobicContact CB-CG 4.13Å; V680-F684 HydrophobicContact CB-CZ 4.32Å; V680-F684 HydrophobicContact CG1-CZ 4.48Å; V680-F684 HydrophobicContact CG2-CD2 3.75Å; V680-F684 HydrophobicContact CG2-CE2 3.89Å; V680-F684 HydrophobicContact CG2-CG 4.32Å; V680-F684 PolarHBondContact O-N 3.5Å; Q682-F684 PolarHBondContact O-N 3.4Å; F684-L687 PolarHBondContact O-N 3.38Å; F684-L688 WeakPolarHBondContact O-CB 3.39Å; F684-L688 VanDerWaalsContact O-CG 3.26Å; F684-L688 WeakPolarHBondContact O-CG 3.32Å; F684-L688 PolarHBondContact O-N 3.44Å |
| 685 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | M675 S681 Q682 L688 E689 | M675-G685 PolarHBondContact SD-N 3.15Å; S681-G685 WeakPolarHBondContact O-CA 3.27Å; S681-G685 PolarHBondContact O-N 3.3Å; Q682-G685 PolarHBondContact O-N 3.32Å; G685-L688 PolarHBondContact O-N 2.87Å; G685-E689 PolarHBondContact O-N 2.96Å |
| 686 | L | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 176.5 | -68.2 | 167.7 | 0 | 0 | 0 | 112.4 | F128 V136 F139 R140 L645 Q682 R683 E689 S690 | F128-L686 HydrophobicContact CB-CD2 4.19Å; F128-L686 HydrophobicContact CD1-CD2 3.49Å; F128-L686 VanDerWaalsContact CD1-CD2 3.49Å; F128-L686 HydrophobicContact CD1-CG 4.01Å; F128-L686 HydrophobicContact CD2-CD2 4.24Å; F128-L686 HydrophobicContact CE1-CD2 3.88Å; F128-L686 HydrophobicContact CE1-CG 3.92Å; F128-L686 HydrophobicContact CG-CD2 3.72Å; F128-L686 HydrophobicContact CZ-CD2 4.42Å; F128-L686 HydrophobicContact CZ-CG 4.44Å; V136-L686 HydrophobicContact CB-CD1 4.42Å; V136-L686 HydrophobicContact CG1-CD1 3.86Å; V136-L686 HydrophobicContact CG1-CD2 3.97Å; V136-L686 HydrophobicContact CG2-CD1 4.17Å; F139-L686 HydrophobicContact CD1-CB 3.85Å; F139-L686 HydrophobicContact CD1-CD1 4.28Å; F139-L686 HydrophobicContact CE1-CB 3.6Å; R140-L686 HydrophobicContact CG-CD2 3.54Å; L645-L686 HydrophobicContact CD1-CD1 3.8Å; L645-L686 HydrophobicContact CD2-CD1 4.38Å; Q682-L686 HydrophobicContact CG-CD1 3.95Å; Q682-L686 WeakPolarHBondContact O-CB 3.47Å; Q682-L686 WeakPolarHBondContact O-CG 3.34Å; Q682-L686 PolarHBondContact O-N 3.35Å; R683-L686 PolarHBondContact O-N 3.25Å; L686-E689 PolarHBondContact O-N 3.29Å; L686-S690 PolarHBondContact O-N 3.44Å |
| 687 | L | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.4 | -35.5 | 176.6 | -170.7 | 58.4 | 0 | 0 | 0 | 112.2 | F139 L639 L654 F667 L671 R683 F684 S690 Y691 | F139-L687 HydrophobicContact CZ-CD1 4.38Å; L639-L687 HydrophobicContact CD1-CD2 3.83Å; L654-L687 HydrophobicContact CB-CD1 4.17Å; L654-L687 HydrophobicContact CD1-CD1 4.37Å; L654-L687 HydrophobicContact CD2-CD1 4.33Å; F667-L687 HydrophobicContact CE1-CG 4.19Å; F667-L687 HydrophobicContact CE2-CD2 4.1Å; F667-L687 HydrophobicContact CZ-CD1 4.1Å; F667-L687 HydrophobicContact CZ-CD2 3.55Å; F667-L687 HydrophobicContact CZ-CG 3.63Å; L671-L687 HydrophobicContact CD1-CB 4.36Å; L671-L687 HydrophobicContact CD1-CD2 3.9Å; L671-L687 HydrophobicContact CD1-CG 3.99Å; L671-L687 HydrophobicContact CD2-CD2 4.2Å; R683-L687 WeakPolarHBondContact O-CB 3.4Å; R683-L687 PolarHBondContact O-N 3.39Å; R683-L687 VanDerWaalsContact O-N 3.11Å; F684-L687 PolarHBondContact O-N 3.38Å; L687-S690 PolarHBondContact O-OG 3.35Å; L687-Y691 WeakPolarHBondContact O-CB 3.49Å; L687-Y691 PolarHBondContact O-N 2.84Å |
| 688 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68 | -36.7 | 171.2 | -75.4 | 168 | 0 | 0 | 0 | 111.7 | I121 F668 L671 K672 M675 F684 G685 Y691 C692 | I121-L688 HydrophobicContact CD1-CB 3.97Å; I121-L688 HydrophobicContact CG1-CB 3.76Å; I121-L688 HydrophobicContact CG2-CD1 4.4Å; F668-L688 HydrophobicContact CD2-CD2 3.55Å; F668-L688 HydrophobicContact CE2-CD2 4.05Å; F668-L688 HydrophobicContact CG-CD2 4.27Å; L671-L688 HydrophobicContact CB-CD1 4Å; L671-L688 HydrophobicContact CB-CD2 3.82Å; L671-L688 HydrophobicContact CB-CG 3.8Å; L671-L688 HydrophobicContact CD1-CD2 4.03Å; L671-L688 HydrophobicContact CD1-CG 4.06Å; K672-L688 HydrophobicContact CB-CD1 4.47Å; M675-L688 HydrophobicContact CG-CD1 3.89Å; M675-L688 HydrophobicContact SD-CD1 3.87Å; F684-L688 WeakPolarHBondContact O-CB 3.39Å; F684-L688 VanDerWaalsContact O-CG 3.26Å; F684-L688 WeakPolarHBondContact O-CG 3.32Å; F684-L688 PolarHBondContact O-N 3.44Å; G685-L688 PolarHBondContact O-N 2.87Å; L688-Y691 PolarHBondContact O-N 3.45Å; L688-C692 VanDerWaalsContact O-CB 3.25Å; L688-C692 WeakPolarHBondContact O-CB 3.43Å; L688-C692 PolarHBondContact O-N 3.35Å; L688-C692 PolarHBondContact O-SG 3.08Å |
| 689 | E | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.2 | -51.6 | 173.6 | 177.6 | -174.9 | -159.8 | 0 | 0 | 110.1 | I121 I125 R140 G685 L686 Y691 C692 R693 | I121-E689 HydrophobicContact CD1-CB 4.08Å; I125-E689 HydrophobicContact CD1-CB 4.17Å; I125-E689 HydrophobicContact CD1-CG 3.82Å; R140-E689 IonicContact CZ-OE1 3.15Å; R140-E689 IonicContact CZ-OE2 2.67Å; R140-E689 IonicContact NE-OE1 2.85Å; R140-E689 IonicContact NE-OE2 3.4Å; R140-E689 PolarHBondContact NE-OE2 3.36Å; R140-E689 IonicContact NH2-OE1 2.7Å; R140-E689 PolarHBondContact NH2-OE1 2.92Å; R140-E689 IonicContact NH2-OE2 2.85Å; G685-E689 PolarHBondContact O-N 2.96Å; L686-E689 PolarHBondContact O-N 3.29Å; E689-Y691 PolarHBondContact O-N 3.47Å; E689-C692 PolarHBondContact O-N 3.01Å; E689-R693 WeakPolarHBondContact O-CB 3.44Å; E689-R693 VanDerWaalsContact O-CG 3.25Å; E689-R693 WeakPolarHBondContact O-CG 3.35Å; E689-R693 PolarHBondContact O-N 3.41Å; E689-R693 IonicContact OE1-CZ 3.46Å; E689-R693 IonicContact OE1-NE 2.67Å; E689-R693 PolarHBondContact OE1-NE 2.99Å; E689-R693 IonicContact OE1-NH2 2.7Å; E689-R693 PolarHBondContact OE1-NH2 2.94Å |
| 690 | S | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | -179.3 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | C147 L654 L686 L687 A694 | C147-S690 PolarHBondContact SG-O 3.42Å; C147-S690 VanDerWaalsContact SG-O 3.41Å; L654-S690 WeakPolarHBondContact CD2-OG 3.29Å; L686-S690 PolarHBondContact O-N 3.44Å; L687-S690 PolarHBondContact O-OG 3.35Å; S690-A694 PolarHBondContact O-N 3.32Å |
| 691 | Y | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.6 | -52.1 | 173.5 | 173.9 | -101.1 | 0 | 0 | 0 | 112 | L654 A657 L658 G664 F667 F668 L687 L688 E689 R693 A694 C695 L702 | L654-Y691 HydrophobicContact CD1-CD2 4.46Å; A657-Y691 HydrophobicContact CB-CD2 4.04Å; A657-Y691 HydrophobicContact CB-CE2 4.04Å; L658-Y691 HydrophobicContact CD2-CD2 3.71Å; L658-Y691 HydrophobicContact CD2-CE2 4.05Å; L658-Y691 HydrophobicContact CG-CD2 4.23Å; G664-Y691 WeakPolarHBondContact CA-OH 3.33Å; G664-Y691 PolarHBondContact O-OH 3.24Å; F667-Y691 HydrophobicContact CD1-CD2 4.17Å; F667-Y691 HydrophobicContact CD1-CG 4.3Å; F667-Y691 HydrophobicContact CE1-CD2 4.41Å; F667-Y691 HydrophobicContact CE1-CG 4.39Å; F668-Y691 HydrophobicContact CB-CD1 4.33Å; F668-Y691 HydrophobicContact CB-CE1 3.85Å; F668-Y691 HydrophobicContact CD2-CD1 4.23Å; F668-Y691 HydrophobicContact CD2-CE1 4.17Å; F668-Y691 HydrophobicContact CG-CE1 4.4Å; L687-Y691 WeakPolarHBondContact O-CB 3.49Å; L687-Y691 PolarHBondContact O-N 2.84Å; L688-Y691 PolarHBondContact O-N 3.45Å; E689-Y691 PolarHBondContact O-N 3.47Å; Y691-R693 VanDerWaalsContact C-N 3.28Å; Y691-R693 PolarHBondContact O-N 2.93Å; Y691-A694 CarbonylContact O-C 3.58Å; Y691-A694 PolarHBondContact O-N 3.47Å; Y691-C695 HydrophobicContact CD1-CB 4.37Å; Y691-C695 HydrophobicContact CD2-CB 4.31Å; Y691-C695 HydrophobicContact CE1-CB 3.9Å; Y691-C695 HydrophobicContact CE2-CB 3.83Å; Y691-C695 WeakPolarHBondContact O-CB 3.28Å; Y691-C695 PolarHBondContact O-N 3.38Å; Y691-L702 HydrophobicContact CE1-CD1 3.75Å |
| 692 | C | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.5 | -30.3 | -176.6 | -66.8 | 0 | 0 | 0 | 0 | 112.6 | I117 L688 E689 A694 L699 | I117-C692 HydrophobicContact CB-CB 4.23Å; I117-C692 HydrophobicContact CG1-CB 3.83Å; I117-C692 HydrophobicContact CG2-CB 3.74Å; L688-C692 VanDerWaalsContact O-CB 3.25Å; L688-C692 WeakPolarHBondContact O-CB 3.43Å; L688-C692 PolarHBondContact O-N 3.35Å; L688-C692 PolarHBondContact O-SG 3.08Å; E689-C692 PolarHBondContact O-N 3.01Å; C692-A694 VanDerWaalsContact C-N 3.25Å; C692-A694 PolarHBondContact O-N 3.49Å; C692-L699 HydrophobicContact CB-CD1 3.84Å |
| 693 | R | 97.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 17.9 Ų | 17.9 | 6% | 0.064 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.4 | -27.6 | 172.5 | -76.3 | -178.8 | -173.3 | -60.5 | -4.9 | 113.3 | N114 I117 F302 Y307 E689 Y691 | N114-R693 PolarHBondContact OD1-NH1 2.97Å; N114-R693 PolarHBondContact OD1-NH2 3.02Å; I117-R693 HydrophobicContact CD1-CB 4.45Å; I117-R693 HydrophobicContact CD1-CG 3.42Å; I117-R693 VanDerWaalsContact CD1-CG 3.42Å; F302-R693 WeakPolarHBondContact CD2-O 3.42Å; F302-R693 HydrophobicContact CE2-CB 4.48Å; Y307-R693 WeakPolarHBondContact OH-CD 3.41Å; Y307-R693 PolarHBondContact OH-NE 3.35Å; E689-R693 WeakPolarHBondContact O-CB 3.44Å; E689-R693 VanDerWaalsContact O-CG 3.25Å; E689-R693 WeakPolarHBondContact O-CG 3.35Å; E689-R693 PolarHBondContact O-N 3.41Å; E689-R693 IonicContact OE1-CZ 3.46Å; E689-R693 IonicContact OE1-NE 2.67Å; E689-R693 PolarHBondContact OE1-NE 2.99Å; E689-R693 IonicContact OE1-NH2 2.7Å; E689-R693 PolarHBondContact OE1-NH2 2.94Å; Y691-R693 VanDerWaalsContact C-N 3.28Å; Y691-R693 PolarHBondContact O-N 2.93Å |
| 694 | A | 97.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 2% | 0.017 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -118 | -8.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | C147 V151 R154 F302 L658 S690 Y691 C692 G696 | C147-A694 HydrophobicContact CB-CB 3.71Å; V151-A694 HydrophobicContact CG2-CB 4.41Å; R154-A694 VanDerWaalsContact CZ-O 3.27Å; R154-A694 PolarHBondContact NH1-O 3.1Å; R154-A694 PolarHBondContact NH2-O 2.97Å; F302-A694 HydrophobicContact CD2-CB 4.18Å; F302-A694 HydrophobicContact CE2-CB 4.06Å; L658-A694 HydrophobicContact CD1-CB 3.65Å; L658-A694 VanDerWaalsContact CD2-C 3.49Å; L658-A694 HydrophobicContact CD2-CB 3.65Å; L658-A694 HydrophobicContact CG-CB 4.31Å; S690-A694 PolarHBondContact O-N 3.32Å; Y691-A694 CarbonylContact O-C 3.58Å; Y691-A694 PolarHBondContact O-N 3.47Å; C692-A694 VanDerWaalsContact C-N 3.25Å; C692-A694 PolarHBondContact O-N 3.49Å; A694-G696 PolarHBondContact O-N 3.05Å |
| 695 | C | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -76.6 | 5.6 | 179.5 | 70.7 | 0 | 0 | 0 | 0 | 114.3 | Y165 L658 Y691 Y698 | Y165-C695 PolarHBondContact OH-O 3.28Å; L658-C695 HydrophobicContact CD2-CB 4.15Å; Y691-C695 HydrophobicContact CD1-CB 4.37Å; Y691-C695 HydrophobicContact CD2-CB 4.31Å; Y691-C695 HydrophobicContact CE1-CB 3.9Å; Y691-C695 HydrophobicContact CE2-CB 3.83Å; Y691-C695 WeakPolarHBondContact O-CB 3.28Å; Y691-C695 PolarHBondContact O-N 3.38Å; C695-Y698 WeakPolarHBondContact O-CB 3.48Å; C695-Y698 PolarHBondContact O-N 3.13Å |
| 696 | G | 95.1 | Very high | 97.5 | Very high | 21 Ų | 21 | 20.9 Ų | 20.9 | 22% | 0.216 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -137.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A694 Y698 L699 | A694-G696 PolarHBondContact O-N 3.05Å; G696-Y698 PolarHBondContact O-N 2.87Å; G696-L699 PolarHBondContact O-N 2.84Å |
| 697 | M | 94 | Very high | 97.4 | Very high | 69 Ų | 69 | 23.7 Ų | 23.7 | 34% | 0.34 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.4 | -178.4 | -73.5 | -62.6 | 104.7 | 0 | 0 | 113.5 | P298 L699 K700 | P298-M697 HydrophobicContact CB-CG 3.79Å; P298-M697 HydrophobicContact CG-CB 3.78Å; P298-M697 HydrophobicContact CG-CG 3.36Å; M697-L699 PolarHBondContact O-N 3.07Å; M697-K700 WeakPolarHBondContact O-CB 3.3Å; M697-K700 PolarHBondContact O-N 3.46Å; M697-K700 HydrophobicContact SD-CD 4Å |
| 698 | Y | 97.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 3% | 0.027 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62 | -25.2 | 177.7 | -158.2 | -119.1 | 0 | 0 | 0 | 112.9 | Q661 H665 C695 G696 K700 H701 L702 P757 | Q661-Y698 HydrophobicContact CG-CD1 3.83Å; Q661-Y698 HydrophobicContact CG-CD2 3.77Å; Q661-Y698 HydrophobicContact CG-CE1 4.06Å; Q661-Y698 HydrophobicContact CG-CE2 4.02Å; Q661-Y698 HydrophobicContact CG-CG 3.69Å; H665-Y698 HydrophobicContact CB-CE1 3.9Å; H665-Y698 AromaticContact ND1-CE1 3.94Å; H665-Y698 AromaticContact ND1-CZ 3.72Å; H665-Y698 PolarHBondContact ND1-OH 3.48Å; C695-Y698 WeakPolarHBondContact O-CB 3.48Å; C695-Y698 PolarHBondContact O-N 3.13Å; G696-Y698 PolarHBondContact O-N 2.87Å; Y698-K700 PolarHBondContact O-N 3.26Å; Y698-H701 HydrophobicContact CD2-CB 3.91Å; Y698-H701 HydrophobicContact CE2-CB 3.95Å; Y698-H701 WeakPolarHBondContact O-CB 3.18Å; Y698-H701 PolarHBondContact O-N 3.11Å; Y698-L702 HydrophobicContact CD1-CD1 3.71Å; Y698-L702 HydrophobicContact CD1-CD2 4.23Å; Y698-L702 HydrophobicContact CD1-CG 3.73Å; Y698-L702 HydrophobicContact CE1-CD1 3.97Å; Y698-L702 HydrophobicContact CE1-CD2 3.64Å; Y698-L702 HydrophobicContact CE1-CG 3.67Å; Y698-L702 WeakPolarHBondContact O-CG 3.13Å; Y698-L702 PolarHBondContact O-N 3.41Å; Y698-P757 WeakPolarHBondContact OH-CB 3.44Å |
| 699 | L | 97.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.7 | -38.1 | 172.1 | 179.2 | 58.1 | 0 | 0 | 0 | 112.4 | L113 E116 I117 A120 C692 G696 M697 L702 S703 | L113-L699 HydrophobicContact CD1-CD2 3.78Å; E116-L699 HydrophobicContact CB-CD2 3.95Å; E116-L699 HydrophobicContact CB-CG 4.46Å; I117-L699 HydrophobicContact CG1-CD2 3.88Å; A120-L699 HydrophobicContact CB-CD1 3.8Å; C692-L699 HydrophobicContact CB-CD1 3.84Å; G696-L699 PolarHBondContact O-N 2.84Å; M697-L699 PolarHBondContact O-N 3.07Å; L699-L702 PolarHBondContact O-N 3.43Å; L699-S703 WeakPolarHBondContact O-CB 3.5Å; L699-S703 PolarHBondContact O-N 3.01Å; L699-S703 PolarHBondContact O-OG 3.29Å |
| 700 | K | 95.4 | Very high | 97 | Very high | 105 Ų | 105 | 25 Ų | 25 | 46% | 0.457 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -69.1 | -40.5 | 178 | -64.6 | -176.2 | 177.7 | 177.7 | 0 | 111.5 | M697 Y698 S703 R704 | M697-K700 WeakPolarHBondContact O-CB 3.3Å; M697-K700 PolarHBondContact O-N 3.46Å; M697-K700 HydrophobicContact SD-CD 4Å; Y698-K700 PolarHBondContact O-N 3.26Å; K700-S703 PolarHBondContact O-N 2.87Å; K700-R704 WeakPolarHBondContact O-CG 3.38Å; K700-R704 PolarHBondContact O-N 3.07Å |
| 701 | H | 96.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 25.6 Ų | 25.6 | 41% | 0.412 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.1 | -67.8 | -86.8 | 0 | 0 | 0 | 111.4 | Y698 R704 Q705 | Y698-H701 HydrophobicContact CD2-CB 3.91Å; Y698-H701 HydrophobicContact CE2-CB 3.95Å; Y698-H701 WeakPolarHBondContact O-CB 3.18Å; Y698-H701 PolarHBondContact O-N 3.11Å; H701-R704 PolarHBondContact O-N 2.98Å; H701-Q705 WeakPolarHBondContact O-CG 3.2Å; H701-Q705 PolarHBondContact O-N 2.92Å |
| 702 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 175 | -70.2 | 173.6 | 0 | 0 | 0 | 111.8 | F668 Y691 Y698 L699 R704 Q705 V706 | F668-L702 HydrophobicContact CB-CD1 4.2Å; F668-L702 HydrophobicContact CB-CD2 4.48Å; F668-L702 HydrophobicContact CD1-CD1 4.18Å; F668-L702 HydrophobicContact CD1-CD2 3.64Å; F668-L702 HydrophobicContact CD1-CG 4.38Å; F668-L702 HydrophobicContact CD2-CD1 3.84Å; F668-L702 HydrophobicContact CE1-CB 4.39Å; F668-L702 HydrophobicContact CE1-CD2 4.02Å; F668-L702 HydrophobicContact CE2-CD1 4.26Å; F668-L702 HydrophobicContact CG-CD1 3.8Å; F668-L702 HydrophobicContact CG-CD2 4.05Å; F668-L702 HydrophobicContact CG-CG 4.48Å; F668-L702 HydrophobicContact CZ-CB 4.39Å; Y691-L702 HydrophobicContact CE1-CD1 3.75Å; Y698-L702 HydrophobicContact CD1-CD1 3.71Å; Y698-L702 HydrophobicContact CD1-CD2 4.23Å; Y698-L702 HydrophobicContact CD1-CG 3.73Å; Y698-L702 HydrophobicContact CE1-CD1 3.97Å; Y698-L702 HydrophobicContact CE1-CD2 3.64Å; Y698-L702 HydrophobicContact CE1-CG 3.67Å; Y698-L702 WeakPolarHBondContact O-CG 3.13Å; Y698-L702 PolarHBondContact O-N 3.41Å; L699-L702 PolarHBondContact O-N 3.43Å; L702-R704 VanDerWaalsContact C-N 3.34Å; L702-R704 PolarHBondContact O-N 3.42Å; L702-Q705 WeakPolarHBondContact O-CB 3.33Å; L702-Q705 PolarHBondContact O-N 3.26Å; L702-Q705 VanDerWaalsContact O-N 3.16Å; L702-V706 WeakPolarHBondContact O-CG2 3.39Å; L702-V706 PolarHBondContact O-N 3.31Å |
| 703 | S | 96.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 27.3 Ų | 27.3 | 12% | 0.119 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 177 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | F119 L699 K700 Q705 V706 E707 | F119-S703 WeakPolarHBondContact CE1-O 3.3Å; L699-S703 WeakPolarHBondContact O-CB 3.5Å; L699-S703 PolarHBondContact O-N 3.01Å; L699-S703 PolarHBondContact O-OG 3.29Å; K700-S703 PolarHBondContact O-N 2.87Å; S703-Q705 VanDerWaalsContact C-N 3.34Å; S703-Q705 PolarHBondContact O-N 3.25Å; S703-V706 PolarHBondContact O-N 2.96Å; S703-E707 WeakPolarHBondContact O-CB 3.31Å; S703-E707 PolarHBondContact O-N 3.33Å |
| 704 | R | 97.3 | Very high | 96.1 | Very high | 94 Ų | 94 | 27 Ų | 27 | 36% | 0.355 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -63.5 | -38.8 | 175 | -68.8 | -170.4 | 70.5 | -156 | -7.8 | 112.7 | K700 H701 L702 A708 Q749 S750 F751 | K700-R704 WeakPolarHBondContact O-CG 3.38Å; K700-R704 PolarHBondContact O-N 3.07Å; H701-R704 PolarHBondContact O-N 2.98Å; L702-R704 VanDerWaalsContact C-N 3.34Å; L702-R704 PolarHBondContact O-N 3.42Å; R704-A708 WeakPolarHBondContact O-CB 3.38Å; R704-A708 PolarHBondContact O-N 3.2Å; R704-Q749 PolarHBondContact NH2-O 3.3Å; R704-S750 PolarHBondContact NH1-O 3.39Å; R704-S750 PolarHBondContact NH2-O 3.29Å; R704-S750 VanDerWaalsContact NH2-O 3.08Å; R704-F751 HydrophobicContact CB-CB 4.44Å |
| 705 | Q | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 173.5 | -64.6 | 169 | 26.5 | 0 | 0 | 111.3 | H665 W669 H701 L702 S703 E707 A708 M709 F751 T752 P754 | H665-Q705 PolarHBondContact CE1-OE1 3.36Å; W669-Q705 HydrophobicContact CZ2-CB 3.78Å; H701-Q705 WeakPolarHBondContact O-CG 3.2Å; H701-Q705 PolarHBondContact O-N 2.92Å; L702-Q705 WeakPolarHBondContact O-CB 3.33Å; L702-Q705 PolarHBondContact O-N 3.26Å; L702-Q705 VanDerWaalsContact O-N 3.16Å; S703-Q705 VanDerWaalsContact C-N 3.34Å; S703-Q705 PolarHBondContact O-N 3.25Å; Q705-E707 VanDerWaalsContact C-N 3.34Å; Q705-E707 PolarHBondContact O-N 2.81Å; Q705-A708 WeakPolarHBondContact O-CB 3.48Å; Q705-A708 PolarHBondContact O-N 2.87Å; Q705-M709 VanDerWaalsContact O-CG 3.28Å; Q705-M709 WeakPolarHBondContact O-CG 3.42Å; Q705-M709 PolarHBondContact O-N 3.47Å; Q705-F751 HydrophobicContact CG-CD2 4.03Å; Q705-T752 WeakPolarHBondContact CG-O 3.36Å; Q705-T752 PolarHBondContact NE2-OG1 2.94Å; Q705-P754 HydrophobicContact CB-CG 4.23Å; Q705-P754 HydrophobicContact CG-CG 4.22Å |
| 706 | V | 98 | Very high | 95.7 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.3 | -45.2 | 178.3 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | F119 F668 W669 L702 S703 A708 M709 E710 | F119-V706 HydrophobicContact CD1-CG1 4.35Å; F119-V706 HydrophobicContact CE1-CB 4.12Å; F119-V706 HydrophobicContact CE1-CG1 3.88Å; F668-V706 HydrophobicContact CE1-CG2 4.06Å; F668-V706 HydrophobicContact CZ-CG2 3.95Å; W669-V706 HydrophobicContact CH2-CG2 3.98Å; W669-V706 HydrophobicContact CZ2-CG2 4.42Å; L702-V706 WeakPolarHBondContact O-CG2 3.39Å; L702-V706 PolarHBondContact O-N 3.31Å; S703-V706 PolarHBondContact O-N 2.96Å; V706-A708 PolarHBondContact O-N 3.13Å; V706-M709 PolarHBondContact O-N 2.92Å; V706-E710 WeakPolarHBondContact O-CG 3.44Å; V706-E710 PolarHBondContact O-N 3.28Å |
| 707 | E | 95.7 | Very high | 95.4 | Very high | 59 Ų | 59 | 27.4 Ų | 27.4 | 28% | 0.276 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -57.4 | -48.9 | 175.6 | -173.4 | 179.7 | -166.1 | 0 | 0 | 112.1 | F119 S703 Q705 M709 E710 K711 A747 | F119-E707 HydrophobicContact CE1-CB 4.29Å; F119-E707 HydrophobicContact CZ-CB 3.91Å; F119-E707 HydrophobicContact CZ-CG 4.42Å; S703-E707 WeakPolarHBondContact O-CB 3.31Å; S703-E707 PolarHBondContact O-N 3.33Å; Q705-E707 VanDerWaalsContact C-N 3.34Å; Q705-E707 PolarHBondContact O-N 2.81Å; E707-M709 VanDerWaalsContact C-N 3.31Å; E707-M709 PolarHBondContact O-N 3.14Å; E707-E710 PolarHBondContact O-N 3.24Å; E707-K711 PolarHBondContact O-N 2.95Å; E707-K711 VanDerWaalsContact O-N 3.07Å; E707-A747 HydrophobicContact CG-CB 4.06Å |
| 708 | A | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.2 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R704 Q705 V706 E710 K711 L712 A747 L748 F751 | R704-A708 WeakPolarHBondContact O-CB 3.38Å; R704-A708 PolarHBondContact O-N 3.2Å; Q705-A708 WeakPolarHBondContact O-CB 3.48Å; Q705-A708 PolarHBondContact O-N 2.87Å; V706-A708 PolarHBondContact O-N 3.13Å; A708-E710 VanDerWaalsContact C-N 3.35Å; A708-E710 PolarHBondContact O-N 2.97Å; A708-K711 PolarHBondContact O-N 3.31Å; A708-L712 WeakPolarHBondContact O-CG 3.48Å; A708-L712 PolarHBondContact O-N 3.13Å; A708-A747 WeakPolarHBondContact CB-O 3.37Å; A708-L748 HydrophobicContact CB-CD2 3.87Å; A708-L748 WeakPolarHBondContact O-CD2 3.46Å; A708-F751 HydrophobicContact CB-CD2 4.4Å; A708-F751 HydrophobicContact CB-CE1 4.3Å; A708-F751 HydrophobicContact CB-CE2 3.98Å; A708-F751 HydrophobicContact CB-CZ 3.93Å |
| 709 | M | 97.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 179.8 | -65.6 | -52.9 | 95.1 | 0 | 0 | 111.7 | W669 Q705 V706 E707 L712 I713 F751 F801 I841 L847 | W669-M709 HydrophobicContact CH2-CG 3.89Å; Q705-M709 VanDerWaalsContact O-CG 3.28Å; Q705-M709 WeakPolarHBondContact O-CG 3.42Å; Q705-M709 PolarHBondContact O-N 3.47Å; V706-M709 PolarHBondContact O-N 2.92Å; E707-M709 VanDerWaalsContact C-N 3.31Å; E707-M709 PolarHBondContact O-N 3.14Å; M709-L712 HydrophobicContact CE-CD1 3.82Å; M709-L712 PolarHBondContact O-N 3.42Å; M709-L712 HydrophobicContact SD-CD1 4.49Å; M709-I713 VanDerWaalsContact O-CG1 3.28Å; M709-I713 WeakPolarHBondContact O-CG1 3.25Å; M709-I713 PolarHBondContact O-N 3.1Å; M709-F751 HydrophobicContact CE-CE2 4.37Å; M709-F801 HydrophobicContact SD-CD2 4.42Å; M709-F801 HydrophobicContact SD-CE2 4.4Å; M709-I841 HydrophobicContact CB-CD1 3.93Å; M709-I841 HydrophobicContact CG-CD1 3.7Å; M709-I841 HydrophobicContact SD-CD1 3.5Å; M709-I841 VanDerWaalsContact SD-CD1 3.5Å; M709-L847 HydrophobicContact SD-CD1 3.96Å; M709-L847 HydrophobicContact SD-CD2 3.92Å; M709-L847 HydrophobicContact SD-CG 4.22Å |
| 710 | E | 92.7 | Very high | 94.2 | Very high | 26 Ų | 26 | 26.9 Ų | 26.9 | 12% | 0.121 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | 177.5 | -70.9 | -159.9 | -175.5 | 0 | 0 | 113.6 | R4 R93 V706 E707 A708 L712 I713 N714 | R4-E710 IonicContact CZ-OE1 2.83Å; R4-E710 IonicContact CZ-OE2 3.75Å; R4-E710 IonicContact NH1-OE1 3.22Å; R4-E710 PolarHBondContact NH1-OE1 3.26Å; R4-E710 IonicContact NH1-OE2 2.69Å; R4-E710 PolarHBondContact NH1-OE2 2.9Å; R4-E710 IonicContact NH2-OE1 2.76Å; R4-E710 PolarHBondContact NH2-OE1 2.89Å; R4-E710 IonicContact NH2-OE2 3.87Å; R93-E710 IonicContact CZ-OE2 2.83Å; R93-E710 IonicContact NE-OE2 3.55Å; R93-E710 PolarHBondContact NE-OE2 2.7Å; R93-E710 IonicContact NH2-OE1 2.65Å; R93-E710 PolarHBondContact NH2-OE1 3.23Å; R93-E710 IonicContact NH2-OE2 2.98Å; R93-E710 PolarHBondContact NH2-OE2 3.1Å; V706-E710 WeakPolarHBondContact O-CG 3.44Å; V706-E710 PolarHBondContact O-N 3.28Å; E707-E710 PolarHBondContact O-N 3.24Å; A708-E710 VanDerWaalsContact C-N 3.35Å; A708-E710 PolarHBondContact O-N 2.97Å; E710-L712 PolarHBondContact O-N 2.82Å; E710-I713 PolarHBondContact O-N 3.35Å; E710-N714 WeakPolarHBondContact O-CB 3.14Å; E710-N714 PolarHBondContact O-N 3.19Å; E710-N714 PolarHBondContact O-ND2 3.27Å |
| 711 | K | 94.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 6% | 0.057 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.7 | -39.1 | 172.4 | -70.2 | -72.9 | -174.9 | -176.3 | 0 | 111.1 | D91 E707 A708 L715 D743 Y744 A747 L748 | D91-K711 IonicContact OD1-NZ 3.26Å; D91-K711 PolarHBondContact OD1-NZ 3.01Å; E707-K711 PolarHBondContact O-N 2.95Å; E707-K711 VanDerWaalsContact O-N 3.07Å; A708-K711 PolarHBondContact O-N 3.31Å; K711-L715 VanDerWaalsContact O-CB 3.26Å; K711-L715 WeakPolarHBondContact O-CB 3.45Å; K711-L715 PolarHBondContact O-N 2.56Å; K711-D743 IonicContact NZ-OD2 2.65Å; K711-D743 PolarHBondContact NZ-OD2 3.43Å; K711-Y744 HydrophobicContact CB-CD1 4.08Å; K711-Y744 HydrophobicContact CB-CE1 3.71Å; K711-Y744 HydrophobicContact CD-CD1 4.47Å; K711-Y744 HydrophobicContact CD-CD2 4.32Å; K711-Y744 HydrophobicContact CD-CE1 4.22Å; K711-Y744 HydrophobicContact CD-CE2 4.06Å; K711-Y744 HydrophobicContact CG-CE1 4.46Å; K711-Y744 WeakPolarHBondContact O-CE1 3.49Å; K711-Y744 PolarHBondContact O-OH 3.44Å; K711-Y744 VanDerWaalsContact O-OH 3.14Å; K711-A747 HydrophobicContact CG-CB 3.87Å; K711-L748 HydrophobicContact CB-CD2 4.35Å |
| 712 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.8 | -39.3 | 176.2 | -64.6 | 176.2 | 0 | 0 | 0 | 113 | A708 M709 E710 L715 T716 L748 L779 L781 F801 | A708-L712 WeakPolarHBondContact O-CG 3.48Å; A708-L712 PolarHBondContact O-N 3.13Å; M709-L712 HydrophobicContact CE-CD1 3.82Å; M709-L712 PolarHBondContact O-N 3.42Å; M709-L712 HydrophobicContact SD-CD1 4.49Å; E710-L712 PolarHBondContact O-N 2.82Å; L712-L715 PolarHBondContact O-N 3.31Å; L712-T716 WeakPolarHBondContact O-CB 3.5Å; L712-T716 WeakPolarHBondContact O-CG2 3.23Å; L712-T716 PolarHBondContact O-N 2.85Å; L712-T716 PolarHBondContact O-OG1 3.28Å; L712-L748 HydrophobicContact CD1-CD2 4.36Å; L712-L748 HydrophobicContact CD2-CD1 3.98Å; L712-L748 HydrophobicContact CD2-CD2 4.06Å; L712-L748 HydrophobicContact CG-CD2 3.89Å; L712-L779 HydrophobicContact CD2-CD1 4.27Å; L712-L781 HydrophobicContact CD1-CD1 3.6Å; L712-L781 HydrophobicContact CD2-CD1 3.74Å; L712-L781 HydrophobicContact CD2-CD2 4.42Å; L712-L781 HydrophobicContact CG-CD1 4.34Å; L712-F801 HydrophobicContact CB-CD1 4.09Å; L712-F801 HydrophobicContact CB-CD2 3.79Å; L712-F801 HydrophobicContact CB-CE1 3.9Å; L712-F801 HydrophobicContact CB-CE2 3.57Å; L712-F801 HydrophobicContact CB-CG 4.04Å; L712-F801 HydrophobicContact CB-CZ 3.64Å; L712-F801 HydrophobicContact CD1-CB 4.23Å; L712-F801 HydrophobicContact CD1-CD2 3.58Å; L712-F801 HydrophobicContact CD1-CE2 4.11Å; L712-F801 HydrophobicContact CD1-CG 3.95Å; L712-F801 HydrophobicContact CG-CD2 4.32Å |
| 713 | I | 94 | Very high | 92.7 | Very high | 38 Ų | 38 | 30.2 Ų | 30.2 | 20% | 0.195 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.3 | -53.2 | 174.2 | -67.8 | 165.6 | 0 | 0 | 0 | 109.4 | S7 M709 E710 L715 T716 D717 F801 V845 | S7-I713 WeakPolarHBondContact OG-CG2 3.46Å; M709-I713 VanDerWaalsContact O-CG1 3.28Å; M709-I713 WeakPolarHBondContact O-CG1 3.25Å; M709-I713 PolarHBondContact O-N 3.1Å; E710-I713 PolarHBondContact O-N 3.35Å; I713-L715 VanDerWaalsContact C-N 3.34Å; I713-L715 PolarHBondContact O-N 2.65Å; I713-T716 PolarHBondContact O-N 3.02Å; I713-T716 PolarHBondContact O-OG1 3.2Å; I713-D717 WeakPolarHBondContact O-CB 3.32Å; I713-D717 PolarHBondContact O-N 3.24Å; I713-F801 HydrophobicContact CG1-CE2 4.4Å; I713-F801 HydrophobicContact CG1-CZ 3.79Å; I713-V845 HydrophobicContact CD1-CG1 4.43Å; I713-V845 HydrophobicContact CG1-CG2 4.08Å |
| 714 | N | 90.4 | Very high | 92.2 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.059 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -53.4 | -49.5 | 176.2 | -82.9 | -30.2 | 0 | 0 | 0 | 113.2 | S7 G8 E710 T716 D717 L718 | S7-N714 VanDerWaalsContact CA-OD1 3.28Å; S7-N714 WeakPolarHBondContact CA-OD1 3.14Å; S7-N714 WeakPolarHBondContact CB-OD1 3.42Å; S7-N714 VanDerWaalsContact O-CG 3.24Å; S7-N714 PolarHBondContact O-ND2 3.34Å; S7-N714 PolarHBondContact O-OD1 2.97Å; S7-N714 VanDerWaalsContact OG-CG 3.27Å; S7-N714 PolarHBondContact OG-OD1 2.75Å; G8-N714 PolarHBondContact N-OD1 3.27Å; E710-N714 WeakPolarHBondContact O-CB 3.14Å; E710-N714 PolarHBondContact O-N 3.19Å; E710-N714 PolarHBondContact O-ND2 3.27Å; N714-T716 VanDerWaalsContact C-N 3.31Å; N714-T716 PolarHBondContact O-N 3.48Å; N714-D717 PolarHBondContact O-N 3.14Å; N714-L718 WeakPolarHBondContact O-CB 3.38Å; N714-L718 WeakPolarHBondContact O-CG 3.49Å; N714-L718 PolarHBondContact O-N 3.08Å |
| 715 | L | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | -177 | -175.5 | 56.4 | 0 | 0 | 0 | 111.5 | K711 L712 I713 L719 F734 L735 Q738 M739 Y744 L779 | K711-L715 VanDerWaalsContact O-CB 3.26Å; K711-L715 WeakPolarHBondContact O-CB 3.45Å; K711-L715 PolarHBondContact O-N 2.56Å; L712-L715 PolarHBondContact O-N 3.31Å; I713-L715 VanDerWaalsContact C-N 3.34Å; I713-L715 PolarHBondContact O-N 2.65Å; L715-L719 VanDerWaalsContact O-CG 3.28Å; L715-L719 WeakPolarHBondContact O-CG 3.36Å; L715-L719 PolarHBondContact O-N 3.14Å; L715-L719 VanDerWaalsContact O-N 3.1Å; L715-F734 HydrophobicContact CD1-CE1 3.89Å; L715-L735 HydrophobicContact CD1-CD1 4.4Å; L715-L735 HydrophobicContact CD2-CD1 3.53Å; L715-L735 HydrophobicContact CG-CD1 3.97Å; L715-Q738 HydrophobicContact CD1-CB 3.77Å; L715-Q738 HydrophobicContact CD1-CG 3.93Å; L715-M739 HydrophobicContact CD2-CG 3.91Å; L715-M739 HydrophobicContact CD2-SD 4.48Å; L715-Y744 HydrophobicContact CB-CE1 4.15Å; L715-Y744 HydrophobicContact CD2-CE1 3.96Å; L715-L779 HydrophobicContact CD2-CD1 4.42Å |
| 716 | T | 92.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.1 | -33.7 | 177.6 | 51.3 | 0 | 0 | 0 | 0 | 113 | L712 I713 N714 L719 K720 L779 F801 N803 | L712-T716 WeakPolarHBondContact O-CB 3.5Å; L712-T716 WeakPolarHBondContact O-CG2 3.23Å; L712-T716 PolarHBondContact O-N 2.85Å; L712-T716 PolarHBondContact O-OG1 3.28Å; I713-T716 PolarHBondContact O-N 3.02Å; I713-T716 PolarHBondContact O-OG1 3.2Å; N714-T716 VanDerWaalsContact C-N 3.31Å; N714-T716 PolarHBondContact O-N 3.48Å; T716-L719 PolarHBondContact O-N 3.49Å; T716-K720 WeakPolarHBondContact O-CB 3.34Å; T716-K720 WeakPolarHBondContact O-CD 3.49Å; T716-K720 WeakPolarHBondContact O-CG 3.41Å; T716-K720 PolarHBondContact O-N 3.24Å; T716-L779 HydrophobicContact CG2-CD1 3.51Å; T716-L779 HydrophobicContact CG2-CD2 4.34Å; T716-L779 HydrophobicContact CG2-CG 3.65Å; T716-F801 HydrophobicContact CG2-CD1 3.87Å; T716-F801 HydrophobicContact CG2-CE1 3.7Å; T716-N803 WeakPolarHBondContact OG1-CB 3.42Å; T716-N803 PolarHBondContact OG1-ND2 3.19Å |
| 717 | D | 89.9 | Confident | 91 | Very high | 29 Ų | 29 | 43 Ų | 43 | 16% | 0.155 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 174.3 | -76.6 | -15 | 0 | 0 | 0 | 111.4 | I713 N714 L719 K720 Q721 N803 | I713-D717 WeakPolarHBondContact O-CB 3.32Å; I713-D717 PolarHBondContact O-N 3.24Å; N714-D717 PolarHBondContact O-N 3.14Å; D717-L719 VanDerWaalsContact C-N 3.3Å; D717-L719 PolarHBondContact O-N 2.98Å; D717-K720 PolarHBondContact O-N 3.44Å; D717-K720 VanDerWaalsContact O-N 3.09Å; D717-Q721 VanDerWaalsContact O-CB 3.31Å; D717-Q721 WeakPolarHBondContact O-CB 3.5Å; D717-Q721 VanDerWaalsContact O-CG 3.3Å; D717-Q721 WeakPolarHBondContact O-CG 3.25Å; D717-Q721 PolarHBondContact O-N 3.25Å; D717-N803 PolarHBondContact OD1-ND2 2.77Å |
| 718 | L | 89.4 | Confident | 90.6 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.5 | -45.4 | 171.2 | -77.6 | 169.8 | 0 | 0 | 0 | 111.7 | H14 N714 K720 E722 K723 F734 | H14-L718 HydrophobicContact CB-CD1 4.29Å; H14-L718 HydrophobicContact CB-CD2 3.44Å; H14-L718 VanDerWaalsContact CB-CD2 3.44Å; H14-L718 HydrophobicContact CB-CG 3.94Å; N714-L718 WeakPolarHBondContact O-CB 3.38Å; N714-L718 WeakPolarHBondContact O-CG 3.49Å; N714-L718 PolarHBondContact O-N 3.08Å; L718-K720 VanDerWaalsContact C-N 3.31Å; L718-K720 PolarHBondContact O-N 2.87Å; L718-E722 VanDerWaalsContact CD2-CD 3.46Å; L718-E722 HydrophobicContact CD2-CG 4.26Å; L718-E722 WeakPolarHBondContact CD2-OE1 3.35Å; L718-E722 PolarHBondContact O-N 2.85Å; L718-K723 PolarHBondContact O-N 3.25Å; L718-K723 VanDerWaalsContact O-N 3.08Å; L718-F734 HydrophobicContact CB-CE1 4.24Å; L718-F734 HydrophobicContact CB-CZ 4.29Å; L718-F734 HydrophobicContact CD1-CZ 4.15Å |
| 719 | L | 89.1 | Confident | 90.2 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 177.1 | -75.1 | 169.5 | 0 | 0 | 0 | 112.7 | L715 T716 D717 K723 Q731 F734 L735 R777 L779 | L715-L719 VanDerWaalsContact O-CG 3.28Å; L715-L719 WeakPolarHBondContact O-CG 3.36Å; L715-L719 PolarHBondContact O-N 3.14Å; L715-L719 VanDerWaalsContact O-N 3.1Å; T716-L719 PolarHBondContact O-N 3.49Å; D717-L719 VanDerWaalsContact C-N 3.3Å; D717-L719 PolarHBondContact O-N 2.98Å; L719-K723 HydrophobicContact CD2-CB 4.37Å; L719-K723 CarbonylContact O-C 3.53Å; L719-Q731 HydrophobicContact CD2-CB 3.94Å; L719-Q731 HydrophobicContact CD2-CG 4.26Å; L719-F734 HydrophobicContact CD2-CD1 3.82Å; L719-F734 HydrophobicContact CD2-CE1 4.34Å; L719-F734 HydrophobicContact CG-CD1 4.38Å; L719-F734 HydrophobicContact CG-CE1 4.45Å; L719-L735 HydrophobicContact CD1-CD1 4.24Å; L719-R777 PolarHBondContact O-NH1 3.38Å; L719-L779 HydrophobicContact CD1-CD2 4.14Å |
| 720 | K | 85.8 | Confident | 90 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 26% | 0.261 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -86.9 | -21.1 | -176.5 | -72.5 | 166.2 | 67.1 | -173.1 | 0 | 113.7 | T716 D717 L718 K724 N803 | T716-K720 WeakPolarHBondContact O-CB 3.34Å; T716-K720 WeakPolarHBondContact O-CD 3.49Å; T716-K720 WeakPolarHBondContact O-CG 3.41Å; T716-K720 PolarHBondContact O-N 3.24Å; D717-K720 PolarHBondContact O-N 3.44Å; D717-K720 VanDerWaalsContact O-N 3.09Å; L718-K720 VanDerWaalsContact C-N 3.31Å; L718-K720 PolarHBondContact O-N 2.87Å; K720-K724 WeakPolarHBondContact O-CB 3.49Å; K720-N803 VanDerWaalsContact NZ-C 3.34Å; K720-N803 PolarHBondContact NZ-O 3Å; K720-N803 PolarHBondContact NZ-OD1 3.31Å |
| 721 | Q | 86 | Confident | 89.9 | Confident | 101 Ų | 101 | 54.9 Ų | 54.9 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -104.5 | -70.8 | -177.8 | -62.9 | 173.7 | 18 | 0 | 0 | 110.8 | H14 D717 | H14-Q721 PolarHBondContact NE2-OE1 3.19Å; D717-Q721 VanDerWaalsContact O-CB 3.31Å; D717-Q721 WeakPolarHBondContact O-CB 3.5Å; D717-Q721 VanDerWaalsContact O-CG 3.3Å; D717-Q721 WeakPolarHBondContact O-CG 3.25Å; D717-Q721 PolarHBondContact O-N 3.25Å |
| 722 | E | 87.4 | Confident | 89.8 | Confident | 115 Ų | 115 | 56.3 Ų | 56.3 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -37.8 | -172.3 | -62.5 | -177.8 | -164.6 | 0 | 0 | 112.6 | H14 L718 | H14-E722 IonicContact CD2-OE1 3.09Å; L718-E722 VanDerWaalsContact CD2-CD 3.46Å; L718-E722 HydrophobicContact CD2-CG 4.26Å; L718-E722 WeakPolarHBondContact CD2-OE1 3.35Å; L718-E722 PolarHBondContact O-N 2.85Å |
| 723 | K | 85.6 | Confident | 89.7 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 21% | 0.213 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 16.2 | -177.1 | -51.2 | -57.5 | -170.2 | 178.8 | 0 | 113.2 | L718 L719 D725 E726 Q731 F734 R777 | L718-K723 PolarHBondContact O-N 3.25Å; L718-K723 VanDerWaalsContact O-N 3.08Å; L719-K723 HydrophobicContact CD2-CB 4.37Å; L719-K723 CarbonylContact O-C 3.53Å; K723-D725 PolarHBondContact O-N 3.38Å; K723-E726 VanDerWaalsContact CD-CD 3.5Å; K723-E726 HydrophobicContact CD-CG 4.5Å; K723-E726 VanDerWaalsContact CD-OE1 3.26Å; K723-E726 WeakPolarHBondContact CD-OE1 3.49Å; K723-E726 WeakPolarHBondContact CD-OE2 3.47Å; K723-E726 IonicContact NZ-OE1 3.67Å; K723-E726 PolarHBondContact NZ-OE1 3.36Å; K723-E726 IonicContact NZ-OE2 2.86Å; K723-E726 PolarHBondContact O-N 3.08Å; K723-Q731 HydrophobicContact CB-CG 4.18Å; K723-Q731 PolarHBondContact O-NE2 3.24Å; K723-F734 HydrophobicContact CG-CD1 4.38Å; K723-R777 PolarHBondContact O-NH1 3.29Å |
| 724 | K | 85.6 | Confident | 89.6 | Confident | 110 Ų | 110 | 62.5 Ų | 62.5 | 48% | 0.478 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -41.1 | -171.8 | 81.9 | -175.8 | -176.6 | -177.1 | 0 | 113.3 | K720 R777 | K720-K724 WeakPolarHBondContact O-CB 3.49Å; K724-R777 PolarHBondContact O-NH2 2.9Å |
| 725 | D | 88.5 | Confident | 89.8 | Confident | 145 Ų | 145 | 62.1 Ų | 62.1 | 78% | 0.775 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -4.3 | -173.4 | -59 | -48.4 | 0 | 0 | 0 | 112.7 | K723 | K723-D725 PolarHBondContact O-N 3.38Š|
| 726 | E | 90.6 | Very high | 89.8 | Confident | 64 Ų | 64 | 64 Ų | 64 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -74.9 | 152.8 | 178.2 | -64.7 | -172.6 | -177.1 | 0 | 0 | 111.8 | K723 V730 Q731 | K723-E726 VanDerWaalsContact CD-CD 3.5Å; K723-E726 HydrophobicContact CD-CG 4.5Å; K723-E726 VanDerWaalsContact CD-OE1 3.26Å; K723-E726 WeakPolarHBondContact CD-OE1 3.49Å; K723-E726 WeakPolarHBondContact CD-OE2 3.47Å; K723-E726 IonicContact NZ-OE1 3.67Å; K723-E726 PolarHBondContact NZ-OE1 3.36Å; K723-E726 IonicContact NZ-OE2 2.86Å; K723-E726 PolarHBondContact O-N 3.08Å; E726-V730 HydrophobicContact CB-CB 4.29Å; E726-V730 WeakPolarHBondContact OE2-CG1 3.39Å; E726-Q731 HydrophobicContact CB-CG 4.25Å; E726-Q731 PolarHBondContact O-NE2 3.17Å |
| 727 | A | 89.8 | Confident | 89.8 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | trans | -65.4 | 148.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K729 V730 Q731 | A727-K729 PolarHBondContact O-N 3Å; A727-V730 PolarHBondContact O-N 3.19Å; A727-Q731 PolarHBondContact O-N 3.01Å; A727-Q731 VanDerWaalsContact O-N 3.16Å | ||
| 728 | Q | 86.4 | Confident | 90 | Very high | 84 Ų | 84 | 67.6 Ų | 67.6 | 39% | 0.393 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -53.1 | -33.1 | -179.4 | 179.6 | 167.2 | 16.4 | 0 | 0 | 113.1 | V730 Q731 M732 M771 | Q728-V730 VanDerWaalsContact C-N 3.34Å; Q728-V730 PolarHBondContact O-N 3.45Å; Q728-Q731 PolarHBondContact O-N 3.33Å; Q728-M732 HydrophobicContact CG-CG 4.3Å; Q728-M732 WeakPolarHBondContact O-CB 3.32Å; Q728-M732 WeakPolarHBondContact O-CG 3.29Å; Q728-M732 PolarHBondContact O-N 3.34Å; Q728-M771 HydrophobicContact CB-CE 4.31Å; Q728-M771 HydrophobicContact CG-CE 3.65Å; Q728-M771 PolarHBondContact NE2-O 2.68Å; Q728-M771 VanDerWaalsContact NE2-O 3.1Å |
| 729 | K | 90.3 | Very high | 90.2 | Very high | 183 Ų | 183 | 67.6 Ų | 67.6 | 80% | 0.796 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 175.3 | -174.1 | 178 | 179 | -180 | 0 | 112.9 | A727 K733 | A727-K729 PolarHBondContact O-N 3Å; K729-K733 PolarHBondContact O-N 3.06Å; K729-K733 VanDerWaalsContact O-N 3.14Å |
| 730 | V | 92.9 | Very high | 90.5 | Very high | 71 Ų | 71 | 73.9 Ų | 73.9 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74.2 | -43 | 179.1 | -171 | 0 | 0 | 0 | 0 | 110.1 | E726 A727 Q728 M732 K733 F734 | E726-V730 HydrophobicContact CB-CB 4.29Å; E726-V730 WeakPolarHBondContact OE2-CG1 3.39Å; A727-V730 PolarHBondContact O-N 3.19Å; Q728-V730 VanDerWaalsContact C-N 3.34Å; Q728-V730 PolarHBondContact O-N 3.45Å; V730-M732 VanDerWaalsContact C-N 3.31Å; V730-M732 PolarHBondContact O-N 3.29Å; V730-K733 WeakPolarHBondContact O-CB 3.17Å; V730-K733 PolarHBondContact O-N 2.72Å; V730-K733 VanDerWaalsContact O-N 3.13Å; V730-F734 PolarHBondContact O-N 3.17Å |
| 731 | Q | 90.4 | Very high | 90.7 | Very high | 5 Ų | 5 | 73.8 Ų | 73.8 | 2% | 0.023 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.6 | -41.8 | 173.9 | -68.1 | 171.5 | 9.1 | 0 | 0 | 112.2 | L719 K723 E726 A727 Q728 F734 L735 M771 R777 | L719-Q731 HydrophobicContact CD2-CB 3.94Å; L719-Q731 HydrophobicContact CD2-CG 4.26Å; K723-Q731 HydrophobicContact CB-CG 4.18Å; K723-Q731 PolarHBondContact O-NE2 3.24Å; E726-Q731 HydrophobicContact CB-CG 4.25Å; E726-Q731 PolarHBondContact O-NE2 3.17Å; A727-Q731 PolarHBondContact O-N 3.01Å; A727-Q731 VanDerWaalsContact O-N 3.16Å; Q728-Q731 PolarHBondContact O-N 3.33Å; Q731-F734 PolarHBondContact O-N 3.04Å; Q731-L735 WeakPolarHBondContact O-CB 3.47Å; Q731-L735 PolarHBondContact O-N 3.13Å; Q731-M771 HydrophobicContact CB-CE 4.18Å; Q731-M771 PolarHBondContact OE1-SD 3.17Å; Q731-R777 VanDerWaalsContact CD-NH1 3.26Å; Q731-R777 VanDerWaalsContact NE2-CZ 3.33Å |
| 732 | M | 92.7 | Very high | 91 | Very high | 43 Ų | 43 | 72.3 Ų | 72.3 | 21% | 0.212 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 175.1 | -82.3 | -55.3 | -61.6 | 0 | 0 | 112.6 | Q728 V730 L735 V736 R770 M771 | Q728-M732 HydrophobicContact CG-CG 4.3Å; Q728-M732 WeakPolarHBondContact O-CB 3.32Å; Q728-M732 WeakPolarHBondContact O-CG 3.29Å; Q728-M732 PolarHBondContact O-N 3.34Å; V730-M732 VanDerWaalsContact C-N 3.31Å; V730-M732 PolarHBondContact O-N 3.29Å; M732-L735 HydrophobicContact CE-CD2 4.14Å; M732-L735 PolarHBondContact O-N 2.85Å; M732-L735 HydrophobicContact SD-CD2 3.9Å; M732-V736 WeakPolarHBondContact O-CG2 3.32Å; M732-V736 PolarHBondContact O-N 3.42Å; M732-V736 VanDerWaalsContact O-N 3.08Å; M732-R770 HydrophobicContact CE-CB 3.93Å; M732-R770 HydrophobicContact SD-CB 4.35Å; M732-M771 HydrophobicContact SD-CB 3.81Å; M732-M771 PolarHBondContact SD-N 3.17Å |
| 733 | K | 93 | Very high | 90.9 | Very high | 136 Ų | 136 | 66.9 Ų | 66.9 | 59% | 0.591 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 174.7 | -174 | -178.7 | 171.2 | -174 | 0 | 110.7 | K729 V730 V736 E737 | K729-K733 PolarHBondContact O-N 3.06Å; K729-K733 VanDerWaalsContact O-N 3.14Å; V730-K733 WeakPolarHBondContact O-CB 3.17Å; V730-K733 PolarHBondContact O-N 2.72Å; V730-K733 VanDerWaalsContact O-N 3.13Å; K733-V736 PolarHBondContact O-N 2.92Å; K733-E737 WeakPolarHBondContact CE-OE1 3.37Å; K733-E737 IonicContact NZ-OE1 3.88Å; K733-E737 WeakPolarHBondContact O-CB 3.44Å; K733-E737 WeakPolarHBondContact O-CG 3.39Å; K733-E737 PolarHBondContact O-N 3.4Å |
| 734 | F | 93.3 | Very high | 91.3 | Very high | 31 Ų | 31 | 64.7 Ų | 64.7 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 175.4 | 173.8 | -98.3 | 0 | 0 | 0 | 112.1 | L715 L718 L719 K723 V730 Q731 V736 E737 Q738 | L715-F734 HydrophobicContact CD1-CE1 3.89Å; L718-F734 HydrophobicContact CB-CE1 4.24Å; L718-F734 HydrophobicContact CB-CZ 4.29Å; L718-F734 HydrophobicContact CD1-CZ 4.15Å; L719-F734 HydrophobicContact CD2-CD1 3.82Å; L719-F734 HydrophobicContact CD2-CE1 4.34Å; L719-F734 HydrophobicContact CG-CD1 4.38Å; L719-F734 HydrophobicContact CG-CE1 4.45Å; K723-F734 HydrophobicContact CG-CD1 4.38Å; V730-F734 PolarHBondContact O-N 3.17Å; Q731-F734 PolarHBondContact O-N 3.04Å; F734-V736 PolarHBondContact O-N 3.48Å; F734-E737 PolarHBondContact O-N 2.96Å; F734-Q738 HydrophobicContact CD1-CG 4.26Å; F734-Q738 HydrophobicContact CD2-CG 4.14Å; F734-Q738 HydrophobicContact CE1-CG 3.85Å; F734-Q738 HydrophobicContact CE2-CG 3.71Å; F734-Q738 HydrophobicContact CG-CG 4.41Å; F734-Q738 HydrophobicContact CZ-CG 3.55Å; F734-Q738 WeakPolarHBondContact O-CG 3.48Å; F734-Q738 PolarHBondContact O-N 3.33Å |
| 735 | L | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.8 | -52.3 | 177.3 | 178 | 71.9 | 0 | 0 | 0 | 111.2 | L715 L719 Q731 M732 E737 Q738 M739 L779 | L715-L735 HydrophobicContact CD1-CD1 4.4Å; L715-L735 HydrophobicContact CD2-CD1 3.53Å; L715-L735 HydrophobicContact CG-CD1 3.97Å; L719-L735 HydrophobicContact CD1-CD1 4.24Å; Q731-L735 WeakPolarHBondContact O-CB 3.47Å; Q731-L735 PolarHBondContact O-N 3.13Å; M732-L735 HydrophobicContact CE-CD2 4.14Å; M732-L735 PolarHBondContact O-N 2.85Å; M732-L735 HydrophobicContact SD-CD2 3.9Å; L735-E737 PolarHBondContact O-N 2.86Å; L735-Q738 PolarHBondContact O-N 3.36Å; L735-M739 HydrophobicContact CD1-CG 4.34Å; L735-M739 HydrophobicContact CD1-SD 3.82Å; L735-M739 HydrophobicContact CG-SD 3.91Å; L735-M739 WeakPolarHBondContact O-CB 3.43Å; L735-M739 VanDerWaalsContact O-CG 3.28Å; L735-M739 WeakPolarHBondContact O-CG 3.34Å; L735-M739 PolarHBondContact O-N 3.42Å; L735-L779 HydrophobicContact CD1-CD1 4.23Å; L735-L779 HydrophobicContact CD1-CD2 3.96Å; L735-L779 HydrophobicContact CD2-CD2 4.25Å |
| 736 | V | 93.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 24% | 0.242 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | -179.3 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | M732 K733 F734 K740 | M732-V736 WeakPolarHBondContact O-CG2 3.32Å; M732-V736 PolarHBondContact O-N 3.42Å; M732-V736 VanDerWaalsContact O-N 3.08Å; K733-V736 PolarHBondContact O-N 2.92Å; F734-V736 PolarHBondContact O-N 3.48Å; V736-K740 HydrophobicContact CG1-CD 4.08Å; V736-K740 WeakPolarHBondContact O-CB 3.31Å; V736-K740 VanDerWaalsContact O-CG 3.25Å; V736-K740 WeakPolarHBondContact O-CG 3.5Å; V736-K740 PolarHBondContact O-N 2.99Å; V736-K740 VanDerWaalsContact O-N 3.13Å |
| 737 | E | 93.3 | Very high | 92.1 | Very high | 98 Ų | 98 | 56.7 Ų | 56.7 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.9 | -77.3 | 175.2 | 176.5 | 0 | 0 | 112.5 | K733 F734 L735 | K733-E737 WeakPolarHBondContact CE-OE1 3.37Å; K733-E737 IonicContact NZ-OE1 3.88Å; K733-E737 WeakPolarHBondContact O-CB 3.44Å; K733-E737 WeakPolarHBondContact O-CG 3.39Å; K733-E737 PolarHBondContact O-N 3.4Å; F734-E737 PolarHBondContact O-N 2.96Å; L735-E737 PolarHBondContact O-N 2.86Å |
| 738 | Q | 92.5 | Very high | 92.4 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.5 | -47.7 | 176.3 | -66.8 | -50.6 | -49 | 0 | 0 | 111.6 | L715 F734 L735 K740 R741 | L715-Q738 HydrophobicContact CD1-CB 3.77Å; L715-Q738 HydrophobicContact CD1-CG 3.93Å; F734-Q738 HydrophobicContact CD1-CG 4.26Å; F734-Q738 HydrophobicContact CD2-CG 4.14Å; F734-Q738 HydrophobicContact CE1-CG 3.85Å; F734-Q738 HydrophobicContact CE2-CG 3.71Å; F734-Q738 HydrophobicContact CG-CG 4.41Å; F734-Q738 HydrophobicContact CZ-CG 3.55Å; F734-Q738 WeakPolarHBondContact O-CG 3.48Å; F734-Q738 PolarHBondContact O-N 3.33Å; L735-Q738 PolarHBondContact O-N 3.36Å; Q738-K740 PolarHBondContact O-N 3.46Å; Q738-R741 VanDerWaalsContact O-CB 3.32Å; Q738-R741 WeakPolarHBondContact O-CB 3.39Å; Q738-R741 WeakPolarHBondContact O-CG 3.39Å; Q738-R741 PolarHBondContact O-N 3.02Å |
| 739 | M | 94.7 | Very high | 93 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.6 | -22 | -177.9 | -67.2 | -179.2 | 78.5 | 0 | 0 | 113.4 | L715 L735 R741 M745 L748 L764 L766 L781 | L715-M739 HydrophobicContact CD2-CG 3.91Å; L715-M739 HydrophobicContact CD2-SD 4.48Å; L735-M739 HydrophobicContact CD1-CG 4.34Å; L735-M739 HydrophobicContact CD1-SD 3.82Å; L735-M739 HydrophobicContact CG-SD 3.91Å; L735-M739 WeakPolarHBondContact O-CB 3.43Å; L735-M739 VanDerWaalsContact O-CG 3.28Å; L735-M739 WeakPolarHBondContact O-CG 3.34Å; L735-M739 PolarHBondContact O-N 3.42Å; M739-R741 VanDerWaalsContact C-N 3.3Å; M739-M745 WeakPolarHBondContact O-CG 3.18Å; M739-M745 VanDerWaalsContact O-SD 3.32Å; M739-L748 HydrophobicContact CE-CD1 4.11Å; M739-L764 HydrophobicContact CE-CD1 3.45Å; M739-L764 VanDerWaalsContact CE-CD1 3.45Å; M739-L764 HydrophobicContact CE-CD2 3.58Å; M739-L764 HydrophobicContact CE-CG 4.17Å; M739-L766 HydrophobicContact CB-CD2 3.59Å; M739-L766 HydrophobicContact CE-CD2 4.24Å; M739-L766 HydrophobicContact SD-CD2 4.3Å; M739-L781 HydrophobicContact CE-CD2 3.76Å |
| 740 | K | 94.9 | Very high | 93.2 | Very high | 135 Ų | 135 | 45.7 Ų | 45.7 | 59% | 0.587 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -12.6 | 173.9 | -80.2 | 178 | 178 | -177.6 | 0 | 114.2 | V736 Q738 L766 | V736-K740 HydrophobicContact CG1-CD 4.08Å; V736-K740 WeakPolarHBondContact O-CB 3.31Å; V736-K740 VanDerWaalsContact O-CG 3.25Å; V736-K740 WeakPolarHBondContact O-CG 3.5Å; V736-K740 PolarHBondContact O-N 2.99Å; V736-K740 VanDerWaalsContact O-N 3.13Å; Q738-K740 PolarHBondContact O-N 3.46Å; K740-L766 HydrophobicContact CG-CD1 3.64Å |
| 741 | R | 90.9 | Very high | 93.5 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -67.7 | 146.4 | -179.4 | -64.9 | -176.5 | 175.8 | -166.6 | 1.9 | 110.7 | Q738 M739 D743 Y744 M745 | Q738-R741 VanDerWaalsContact O-CB 3.32Å; Q738-R741 WeakPolarHBondContact O-CB 3.39Å; Q738-R741 WeakPolarHBondContact O-CG 3.39Å; Q738-R741 PolarHBondContact O-N 3.02Å; M739-R741 VanDerWaalsContact C-N 3.3Å; R741-D743 VanDerWaalsContact C-N 3.26Å; R741-D743 WeakPolarHBondContact CB-OD1 3.29Å; R741-D743 PolarHBondContact O-N 3.37Å; R741-Y744 PolarHBondContact O-N 2.95Å; R741-Y744 VanDerWaalsContact O-N 3.11Å; R741-M745 WeakPolarHBondContact O-CG 3.4Å; R741-M745 PolarHBondContact O-N 2.92Å |
| 742 | P | 90.3 | Very high | 93.8 | Very high | 70 Ų | 70 | 43.2 Ų | 43.2 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.6 | -39.3 | -178.7 | -27.3 | 35.5 | 0 | 0 | 0 | 113.7 | R88 Y744 M745 D746 | R88-P742 PolarHBondContact NH1-O 3.43Å; P742-Y744 PolarHBondContact O-N 3.4Å; P742-M745 PolarHBondContact O-N 2.99Å; P742-D746 WeakPolarHBondContact O-CB 3.35Å; P742-D746 PolarHBondContact O-N 3.48Å; P742-D746 VanDerWaalsContact O-OD2 3.12Å |
| 743 | D | 87.2 | Confident | 94.1 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.3 | -31.6 | -179.3 | 67.2 | -70.6 | 0 | 0 | 0 | 113.6 | R38 R88 K711 R741 A747 | R38-D743 IonicContact CZ-OD1 2.66Å; R38-D743 IonicContact CZ-OD2 3.12Å; R38-D743 IonicContact NH1-OD1 3.65Å; R38-D743 PolarHBondContact NH1-OD1 3.16Å; R38-D743 IonicContact NH1-OD2 3.62Å; R38-D743 VanDerWaalsContact NH2-CG 3.33Å; R38-D743 IonicContact NH2-OD1 3.66Å; R38-D743 PolarHBondContact NH2-OD1 3.23Å; R38-D743 IonicContact NH2-OD2 3.34Å; R38-D743 PolarHBondContact NH2-OD2 2.96Å; R88-D743 VanDerWaalsContact NH1-N 3.13Å; K711-D743 IonicContact NZ-OD2 2.65Å; K711-D743 PolarHBondContact NZ-OD2 3.43Å; R741-D743 VanDerWaalsContact C-N 3.26Å; R741-D743 WeakPolarHBondContact CB-OD1 3.29Å; R741-D743 PolarHBondContact O-N 3.37Å; D743-A747 VanDerWaalsContact O-CB 3.28Å; D743-A747 WeakPolarHBondContact O-CB 3.36Å; D743-A747 PolarHBondContact O-N 3.37Å |
| 744 | Y | 93.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -76.2 | -41.3 | 171.8 | -88.8 | -95.2 | 0 | 0 | 0 | 111.9 | K711 L715 R741 P742 A747 L748 | K711-Y744 HydrophobicContact CB-CD1 4.08Å; K711-Y744 HydrophobicContact CB-CE1 3.71Å; K711-Y744 HydrophobicContact CD-CD1 4.47Å; K711-Y744 HydrophobicContact CD-CD2 4.32Å; K711-Y744 HydrophobicContact CD-CE1 4.22Å; K711-Y744 HydrophobicContact CD-CE2 4.06Å; K711-Y744 HydrophobicContact CG-CE1 4.46Å; K711-Y744 WeakPolarHBondContact O-CE1 3.49Å; K711-Y744 PolarHBondContact O-OH 3.44Å; K711-Y744 VanDerWaalsContact O-OH 3.14Å; L715-Y744 HydrophobicContact CB-CE1 4.15Å; L715-Y744 HydrophobicContact CD2-CE1 3.96Å; R741-Y744 PolarHBondContact O-N 2.95Å; R741-Y744 VanDerWaalsContact O-N 3.11Å; P742-Y744 PolarHBondContact O-N 3.4Å; Y744-A747 PolarHBondContact O-N 2.9Å; Y744-L748 HydrophobicContact CD1-CD1 3.84Å; Y744-L748 HydrophobicContact CD1-CG 4.5Å; Y744-L748 WeakPolarHBondContact O-CB 3.48Å; Y744-L748 WeakPolarHBondContact O-CG 3.11Å; Y744-L748 PolarHBondContact O-N 3.43Å |
| 745 | M | 93.8 | Very high | 94.6 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 28% | 0.276 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63 | -43.5 | 179.5 | -69.9 | -70.6 | -76.6 | 0 | 0 | 111.7 | M739 R741 P742 Q749 L766 | M739-M745 WeakPolarHBondContact O-CG 3.18Å; M739-M745 VanDerWaalsContact O-SD 3.32Å; R741-M745 WeakPolarHBondContact O-CG 3.4Å; R741-M745 PolarHBondContact O-N 2.92Å; P742-M745 PolarHBondContact O-N 2.99Å; M745-Q749 VanDerWaalsContact O-CB 3.26Å; M745-Q749 WeakPolarHBondContact O-CB 3.25Å; M745-Q749 VanDerWaalsContact O-CG 3.23Å; M745-Q749 WeakPolarHBondContact O-CG 3.33Å; M745-Q749 PolarHBondContact O-N 3.06Å; M745-Q749 PolarHBondContact SD-NE2 3.49Å; M745-Q749 VanDerWaalsContact SD-NE2 3.39Å; M745-L766 HydrophobicContact SD-CD1 4.42Å |
| 746 | D | 92.5 | Very high | 94.8 | Very high | 93 Ų | 93 | 36.9 Ų | 36.9 | 50% | 0.497 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.6 | -41.9 | 179.4 | -65.5 | -26.8 | 0 | 0 | 0 | 112 | R88 P742 | R88-D746 IonicContact CZ-OD2 3.19Å; R88-D746 IonicContact NH1-OD2 2.74Å; R88-D746 PolarHBondContact NH1-OD2 3.48Å; R88-D746 IonicContact NH2-OD2 2.77Å; R88-D746 PolarHBondContact NH2-OD2 2.72Å; P742-D746 WeakPolarHBondContact O-CB 3.35Å; P742-D746 PolarHBondContact O-N 3.48Å; P742-D746 VanDerWaalsContact O-OD2 3.12Å |
| 747 | A | 94.3 | Very high | 95 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.5 | -37.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E707 A708 K711 D743 Y744 | E707-A747 HydrophobicContact CG-CB 4.06Å; A708-A747 WeakPolarHBondContact CB-O 3.37Å; K711-A747 HydrophobicContact CG-CB 3.87Å; D743-A747 VanDerWaalsContact O-CB 3.28Å; D743-A747 WeakPolarHBondContact O-CB 3.36Å; D743-A747 PolarHBondContact O-N 3.37Å; Y744-A747 PolarHBondContact O-N 2.9Å |
| 748 | L | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 10.8 | -175 | -61.2 | -177.5 | 0 | 0 | 0 | 114 | A708 K711 L712 M739 Y744 F751 L764 W783 | A708-L748 HydrophobicContact CB-CD2 3.87Å; A708-L748 WeakPolarHBondContact O-CD2 3.46Å; K711-L748 HydrophobicContact CB-CD2 4.35Å; L712-L748 HydrophobicContact CD1-CD2 4.36Å; L712-L748 HydrophobicContact CD2-CD1 3.98Å; L712-L748 HydrophobicContact CD2-CD2 4.06Å; L712-L748 HydrophobicContact CG-CD2 3.89Å; M739-L748 HydrophobicContact CE-CD1 4.11Å; Y744-L748 HydrophobicContact CD1-CD1 3.84Å; Y744-L748 HydrophobicContact CD1-CG 4.5Å; Y744-L748 WeakPolarHBondContact O-CB 3.48Å; Y744-L748 WeakPolarHBondContact O-CG 3.11Å; Y744-L748 PolarHBondContact O-N 3.43Å; L748-F751 WeakPolarHBondContact O-CE1 3.49Å; L748-L764 HydrophobicContact CB-CD1 4Å; L748-L764 HydrophobicContact CD1-CD1 4.32Å; L748-W783 PolarHBondContact O-NE1 2.86Å |
| 749 | Q | 97.4 | Very high | 95.5 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 12% | 0.121 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -129.9 | 158.2 | 178.7 | -64.2 | -173.9 | 8.5 | 0 | 0 | 112.5 | R704 M745 F751 G762 N763 L764 | R704-Q749 PolarHBondContact NH2-O 3.3Å; M745-Q749 VanDerWaalsContact O-CB 3.26Å; M745-Q749 WeakPolarHBondContact O-CB 3.25Å; M745-Q749 VanDerWaalsContact O-CG 3.23Å; M745-Q749 WeakPolarHBondContact O-CG 3.33Å; M745-Q749 PolarHBondContact O-N 3.06Å; M745-Q749 PolarHBondContact SD-NE2 3.49Å; M745-Q749 VanDerWaalsContact SD-NE2 3.39Å; Q749-F751 PolarHBondContact O-N 3.09Å; Q749-G762 WeakPolarHBondContact CA-O 3.36Å; Q749-G762 WeakPolarHBondContact CB-O 3.42Å; Q749-N763 PolarHBondContact OE1-OD1 2.94Å; Q749-L764 HydrophobicContact CG-CB 4Å; Q749-L764 VanDerWaalsContact NE2-N 3.14Å |
| 750 | S | 96.4 | Very high | 95.7 | Very high | 74 Ų | 74 | 36.8 Ų | 36.8 | 52% | 0.517 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 57.8 | 42.3 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 114.4 | R704 L761 G762 | R704-S750 PolarHBondContact NH1-O 3.39Å; R704-S750 PolarHBondContact NH2-O 3.29Å; R704-S750 VanDerWaalsContact NH2-O 3.08Å; S750-L761 CarbonylContact C-O 3.51Å; S750-L761 WeakPolarHBondContact CA-O 3.44Å; S750-L761 PolarHBondContact N-O 3.44Å; S750-G762 PolarHBondContact N-O 3.18Å |
| 751 | F | 97.7 | Very high | 95.8 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 168.8 | 177.5 | 73.6 | -74.7 | 0 | 0 | 0 | 110.9 | R704 Q705 A708 M709 L748 Q749 L761 W783 | R704-F751 HydrophobicContact CB-CB 4.44Å; Q705-F751 HydrophobicContact CG-CD2 4.03Å; A708-F751 HydrophobicContact CB-CD2 4.4Å; A708-F751 HydrophobicContact CB-CE1 4.3Å; A708-F751 HydrophobicContact CB-CE2 3.98Å; A708-F751 HydrophobicContact CB-CZ 3.93Å; M709-F751 HydrophobicContact CE-CE2 4.37Å; L748-F751 WeakPolarHBondContact O-CE1 3.49Å; Q749-F751 PolarHBondContact O-N 3.09Å; F751-L761 HydrophobicContact CD1-CB 4.2Å; F751-L761 HydrophobicContact CD1-CD1 4.49Å; F751-L761 HydrophobicContact CD2-CD1 4.35Å; F751-L761 HydrophobicContact CE1-CB 4.02Å; F751-L761 HydrophobicContact CE1-CD1 3.81Å; F751-L761 HydrophobicContact CE2-CD1 3.66Å; F751-L761 HydrophobicContact CZ-CB 4.43Å; F751-L761 HydrophobicContact CZ-CD1 3.35Å; F751-L761 HydrophobicContact CZ-CG 4.48Å; F751-L761 PolarHBondContact N-O 3.36Å; F751-L761 VanDerWaalsContact N-O 3.07Å; F751-L761 WeakPolarHBondContact O-CA 3.44Å; F751-L761 WeakPolarHBondContact O-CB 3.47Å; F751-L761 PolarHBondContact O-N 3.36Å; F751-W783 HydrophobicContact CE1-CZ2 4.34Å; F751-W783 HydrophobicContact CZ-CZ2 4.26Å |
| 752 | T | 97.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 27.8 Ų | 27.8 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 142.2 | 179.1 | 53 | 0 | 0 | 0 | 0 | 110.8 | Q705 P754 | Q705-T752 WeakPolarHBondContact CG-O 3.36Å; Q705-T752 PolarHBondContact NE2-OG1 2.94Å; T752-P754 WeakPolarHBondContact O-CD 3.27Å |
| 753 | S | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 129.8 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | L755 N756 H759 I799 | S753-L755 PolarHBondContact O-N 3.05Å; S753-L755 PolarHBondContact OG-N 2.98Å; S753-N756 CarbonylContact O-C 3.59Å; S753-N756 PolarHBondContact O-N 3.18Å; S753-H759 PolarHBondContact N-O 3.34Å; S753-I799 WeakPolarHBondContact OG-CD1 3.47Å |
| 754 | P | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -23.3 | 173.2 | -22.7 | 34 | 0 | 0 | 0 | 113.8 | H665 W669 Q705 T752 L839 L847 | H665-P754 PolarHBondContact NE2-O 3.22Å; W669-P754 HydrophobicContact CZ2-CB 4.17Å; W669-P754 HydrophobicContact CZ2-CG 4.18Å; Q705-P754 HydrophobicContact CB-CG 4.23Å; Q705-P754 HydrophobicContact CG-CG 4.22Å; T752-P754 WeakPolarHBondContact O-CD 3.27Å; P754-L839 HydrophobicContact CB-CD2 3.94Å; P754-L839 WeakPolarHBondContact O-CD2 3.24Å; P754-L847 HydrophobicContact CB-CD1 3.72Å; P754-L847 HydrophobicContact CG-CD1 3.78Å |
| 755 | L | 98.5 | Very high | 97.2 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 13% | 0.131 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -34.1 | 175.8 | -72.9 | 171.1 | 0 | 0 | 0 | 112.5 | F666 S753 I799 L839 L847 E849 | F666-L755 WeakPolarHBondContact CZ-O 3.47Å; S753-L755 PolarHBondContact O-N 3.05Å; S753-L755 PolarHBondContact OG-N 2.98Å; L755-I799 HydrophobicContact CD1-CD1 4.2Å; L755-I799 HydrophobicContact CD1-CG1 4.15Å; L755-I799 HydrophobicContact CD1-CG2 3.75Å; L755-L839 HydrophobicContact CD2-CB 3.74Å; L755-L847 HydrophobicContact CD1-CB 4.03Å; L755-L847 HydrophobicContact CD2-CB 4Å; L755-L847 HydrophobicContact CG-CB 3.89Å; L755-L847 HydrophobicContact CG-CD1 4.38Å; L755-E849 HydrophobicContact CD1-CB 4.14Å |
| 756 | N | 98.1 | Very high | 97.3 | Very high | 52 Ų | 52 | 30.9 Ų | 30.9 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 108.7 | 174.9 | -176.4 | -4.5 | 0 | 0 | 0 | 109.6 | S753 A758 H759 | S753-N756 CarbonylContact O-C 3.59Å; S753-N756 PolarHBondContact O-N 3.18Å; N756-A758 PolarHBondContact O-N 3.17Å; N756-A758 VanDerWaalsContact O-N 3.11Å; N756-A758 WeakPolarHBondContact OD1-CB 3.5Å; N756-A758 PolarHBondContact OD1-N 2.92Å; N756-A758 VanDerWaalsContact OD1-N 3.12Å; N756-H759 PolarHBondContact ND2-NE2 3.48Å; N756-H759 WeakPolarHBondContact O-CB 3.39Å; N756-H759 PolarHBondContact O-N 2.84Å |
| 757 | P | 97.4 | Very high | 97.4 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -13 | -175.3 | 27.9 | -35.3 | 0 | 0 | 0 | 113.7 | H665 Y698 H759 | H665-P757 HydrophobicContact CB-CG 4.22Å; Y698-P757 WeakPolarHBondContact OH-CB 3.44Å; P757-H759 PolarHBondContact O-N 3.5Å |
| 758 | A | 97.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 36 Ų | 36 | 13% | 0.132 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | -13.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C257 D258 N756 | C257-A758 WeakPolarHBondContact CB-O 3.34Å; D258-A758 PolarHBondContact N-O 3.3Å; N756-A758 PolarHBondContact O-N 3.17Å; N756-A758 VanDerWaalsContact O-N 3.11Å; N756-A758 WeakPolarHBondContact OD1-CB 3.5Å; N756-A758 PolarHBondContact OD1-N 2.92Å; N756-A758 VanDerWaalsContact OD1-N 3.12Å |
| 759 | H | 98.4 | Very high | 97.4 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 17% | 0.171 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 114.2 | 177.6 | -60.9 | 174.5 | 0 | 0 | 0 | 110.2 | S753 N756 P757 F794 | S753-H759 PolarHBondContact N-O 3.34Å; N756-H759 PolarHBondContact ND2-NE2 3.48Å; N756-H759 WeakPolarHBondContact O-CB 3.39Å; N756-H759 PolarHBondContact O-N 2.84Å; P757-H759 PolarHBondContact O-N 3.5Å; H759-F794 HydrophobicContact CB-CZ 4.4Å; H759-F794 AromaticContact CD2-CZ 3.82Å; H759-F794 AromaticContact CE1-CE1 3.86Å; H759-F794 AromaticContact CE1-CZ 3.8Å; H759-F794 AromaticContact CG-CZ 3.77Å; H759-F794 AromaticContact ND1-CZ 3.76Å; H759-F794 AromaticContact NE2-CE1 3.88Å; H759-F794 AromaticContact NE2-CZ 3.85Å |
| 760 | Q | 98.1 | Very high | 97.2 | Very high | 76 Ų | 76 | 39.7 Ų | 39.7 | 36% | 0.355 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 140.7 | 170.8 | -60.6 | -171.2 | -1.4 | 0 | 0 | 110.5 | D258 P786 | D258-Q760 PolarHBondContact OD2-NE2 3.41Å; Q760-P786 HydrophobicContact CB-CG 3.57Å |
| 761 | L | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 105 | 173.9 | -59.5 | 177.6 | 0 | 0 | 0 | 107.3 | S750 F751 W783 N797 I799 | S750-L761 CarbonylContact C-O 3.51Å; S750-L761 WeakPolarHBondContact CA-O 3.44Å; S750-L761 PolarHBondContact N-O 3.44Å; F751-L761 HydrophobicContact CD1-CB 4.2Å; F751-L761 HydrophobicContact CD1-CD1 4.49Å; F751-L761 HydrophobicContact CD2-CD1 4.35Å; F751-L761 HydrophobicContact CE1-CB 4.02Å; F751-L761 HydrophobicContact CE1-CD1 3.81Å; F751-L761 HydrophobicContact CE2-CD1 3.66Å; F751-L761 HydrophobicContact CZ-CB 4.43Å; F751-L761 HydrophobicContact CZ-CD1 3.35Å; F751-L761 HydrophobicContact CZ-CG 4.48Å; F751-L761 PolarHBondContact N-O 3.36Å; F751-L761 VanDerWaalsContact N-O 3.07Å; F751-L761 WeakPolarHBondContact O-CA 3.44Å; F751-L761 WeakPolarHBondContact O-CB 3.47Å; F751-L761 PolarHBondContact O-N 3.36Å; L761-W783 HydrophobicContact CB-CB 4.15Å; L761-W783 HydrophobicContact CB-CD2 4.25Å; L761-W783 HydrophobicContact CB-CG 3.88Å; L761-W783 HydrophobicContact CD1-CD2 4.27Å; L761-W783 HydrophobicContact CD1-CE3 4.34Å; L761-W783 HydrophobicContact CD1-CZ3 4.47Å; L761-W783 HydrophobicContact CD2-CB 4.03Å; L761-W783 HydrophobicContact CD2-CD2 4.08Å; L761-W783 HydrophobicContact CD2-CE3 3.99Å; L761-W783 HydrophobicContact CD2-CG 4.14Å; L761-W783 HydrophobicContact CG-CD2 4.43Å; L761-W783 HydrophobicContact CG-CG 4.47Å; L761-N797 HydrophobicContact CD2-CB 3.8Å; L761-N797 VanDerWaalsContact CD2-ND2 3.34Å; L761-N797 WeakPolarHBondContact CD2-ND2 3.49Å; L761-I799 HydrophobicContact CD1-CD1 4.26Å; L761-I799 HydrophobicContact CD2-CD1 4.35Å |
| 762 | G | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -82.2 | -130.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q749 S750 E784 | Q749-G762 WeakPolarHBondContact CA-O 3.36Å; Q749-G762 WeakPolarHBondContact CB-O 3.42Å; S750-G762 PolarHBondContact N-O 3.18Å; G762-E784 WeakPolarHBondContact CA-O 3.47Å; G762-E784 PolarHBondContact N-O 3.21Å | ||
| 763 | N | 98 | Very high | 95.8 | Very high | 84 Ų | 84 | 43 Ų | 43 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -70.3 | 145.3 | 177.9 | -57.1 | -41.1 | 0 | 0 | 0 | 110.9 | Q749 W783 E784 | Q749-N763 PolarHBondContact OE1-OD1 2.94Å; N763-W783 CarbonylContact O-C 3.6Å; N763-W783 WeakPolarHBondContact O-CA 3.31Å; N763-E784 HydrophobicContact CB-CG 4.5Å; N763-E784 PolarHBondContact ND2-OE2 2.62Å; N763-E784 PolarHBondContact O-N 3.16Å |
| 764 | L | 97.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -86.1 | 127.6 | 179.4 | -164.2 | 149.1 | 0 | 0 | 0 | 110 | M739 L748 Q749 L766 C769 W783 | M739-L764 HydrophobicContact CE-CD1 3.45Å; M739-L764 VanDerWaalsContact CE-CD1 3.45Å; M739-L764 HydrophobicContact CE-CD2 3.58Å; M739-L764 HydrophobicContact CE-CG 4.17Å; L748-L764 HydrophobicContact CB-CD1 4Å; L748-L764 HydrophobicContact CD1-CD1 4.32Å; Q749-L764 HydrophobicContact CG-CB 4Å; Q749-L764 VanDerWaalsContact NE2-N 3.14Å; L764-L766 HydrophobicContact CD2-CB 4.41Å; L764-L766 HydrophobicContact CD2-CD2 3.34Å; L764-L766 HydrophobicContact CD2-CG 3.67Å; L764-L766 PolarHBondContact O-N 2.92Å; L764-C769 HydrophobicContact CD2-CB 4.47Å; L764-C769 WeakPolarHBondContact CD2-SG 3.37Å; L764-W783 HydrophobicContact CD1-CZ2 4.19Å |
| 765 | R | 97.3 | Very high | 93.8 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 25% | 0.249 | 27% | 0.273 | C | S | . | . | trans | -90 | 82.7 | 179.1 | -64.1 | -165.3 | 62.5 | -176.5 | -3.9 | 110.3 | E767 E768 C769 N782 E784 N796 | R765-E767 IonicContact CZ-OE1 3.49Å; R765-E767 IonicContact NE-OE1 3.41Å; R765-E767 PolarHBondContact NE-OE1 3.25Å; R765-E767 IonicContact NH2-OE1 2.76Å; R765-E767 PolarHBondContact NH2-OE1 2.84Å; R765-E767 PolarHBondContact O-N 3.49Å; R765-E767 VanDerWaalsContact O-N 3.16Å; R765-E768 PolarHBondContact O-N 3.4Å; R765-C769 PolarHBondContact O-N 2.69Å; R765-C769 PolarHBondContact O-SG 2.83Å; R765-N782 HydrophobicContact CB-CB 4.42Å; R765-N782 PolarHBondContact N-O 3.41Å; R765-E784 HydrophobicContact CG-CG 3.78Å; R765-N796 WeakPolarHBondContact CD-OD1 3.4Å; R765-N796 PolarHBondContact NH1-ND2 3.38Å; R765-N796 PolarHBondContact NH1-OD1 2.78Å | ||
| 766 | L | 94.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30 | -172.3 | -73.5 | 168.6 | 0 | 0 | 0 | 113.3 | M739 K740 M745 L764 E768 C769 | M739-L766 HydrophobicContact CB-CD2 3.59Å; M739-L766 HydrophobicContact CE-CD2 4.24Å; M739-L766 HydrophobicContact SD-CD2 4.3Å; K740-L766 HydrophobicContact CG-CD1 3.64Å; M745-L766 HydrophobicContact SD-CD1 4.42Å; L764-L766 HydrophobicContact CD2-CB 4.41Å; L764-L766 HydrophobicContact CD2-CD2 3.34Å; L764-L766 HydrophobicContact CD2-CG 3.67Å; L764-L766 PolarHBondContact O-N 2.92Å; L766-E768 VanDerWaalsContact C-N 3.26Å; L766-E768 PolarHBondContact O-N 3.46Å; L766-C769 PolarHBondContact O-N 2.95Å |
| 767 | E | 94.7 | Very high | 92.2 | Very high | 127 Ų | 127 | 52.6 Ų | 52.6 | 59% | 0.593 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.2 | 178.3 | 70 | -76.4 | -178.9 | 0 | 0 | 113.6 | R765 | R765-E767 IonicContact CZ-OE1 3.49Å; R765-E767 IonicContact NE-OE1 3.41Å; R765-E767 PolarHBondContact NE-OE1 3.25Å; R765-E767 IonicContact NH2-OE1 2.76Å; R765-E767 PolarHBondContact NH2-OE1 2.84Å; R765-E767 PolarHBondContact O-N 3.49Å; R765-E767 VanDerWaalsContact O-N 3.16Å |
| 768 | E | 95.2 | Very high | 92 | Very high | 75 Ų | 75 | 51.9 Ų | 51.9 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -16.1 | 177.2 | -64.4 | -60.1 | 158.1 | 0 | 0 | 112.6 | R765 L766 R770 N782 | R765-E768 PolarHBondContact O-N 3.4Å; L766-E768 VanDerWaalsContact C-N 3.26Å; L766-E768 PolarHBondContact O-N 3.46Å; E768-R770 PolarHBondContact O-NH1 2.85Å; E768-R770 VanDerWaalsContact O-NH1 3.13Å; E768-N782 HydrophobicContact CB-CB 3.83Å |
| 769 | C | 95.9 | Very high | 92 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | trans | -74.1 | 131.7 | -179.6 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | L764 R765 L766 W780 N782 | L764-C769 HydrophobicContact CD2-CB 4.47Å; L764-C769 WeakPolarHBondContact CD2-SG 3.37Å; R765-C769 PolarHBondContact O-N 2.69Å; R765-C769 PolarHBondContact O-SG 2.83Å; L766-C769 PolarHBondContact O-N 2.95Å; C769-W780 VanDerWaalsContact CA-O 3.28Å; C769-W780 WeakPolarHBondContact CA-O 3.32Å; C769-N782 PolarHBondContact SG-N 3.43Å; C769-N782 VanDerWaalsContact SG-N 3.39Å | ||
| 770 | R | 94 | Very high | 92 | Very high | 99 Ų | 99 | 51.3 Ų | 51.3 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 152.6 | -174.5 | 59.9 | -177.1 | 178.5 | -90.6 | 0.1 | 113.8 | M732 E768 W780 | M732-R770 HydrophobicContact CE-CB 3.93Å; M732-R770 HydrophobicContact SD-CB 4.35Å; E768-R770 PolarHBondContact O-NH1 2.85Å; E768-R770 VanDerWaalsContact O-NH1 3.13Å; R770-W780 HydrophobicContact CG-CB 3.76Å; R770-W780 HydrophobicContact CG-CG 4.23Å; R770-W780 PolarHBondContact N-O 2.8Å; R770-W780 WeakPolarHBondContact O-CB 3.45Å; R770-W780 PolarHBondContact O-N 2.98Å |
| 771 | M | 92.3 | Very high | 92 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 5% | 0.054 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127.3 | 166.9 | -172.1 | -173 | 65.2 | 0 | 0 | 109.8 | Q728 Q731 M732 R777 L779 | Q728-M771 HydrophobicContact CB-CE 4.31Å; Q728-M771 HydrophobicContact CG-CE 3.65Å; Q728-M771 PolarHBondContact NE2-O 2.68Å; Q728-M771 VanDerWaalsContact NE2-O 3.1Å; Q731-M771 HydrophobicContact CB-CE 4.18Å; Q731-M771 PolarHBondContact OE1-SD 3.17Å; M732-M771 HydrophobicContact SD-CB 3.81Å; M732-M771 PolarHBondContact SD-N 3.17Å; M771-R777 HydrophobicContact CG-CB 3.96Å; M771-R777 HydrophobicContact SD-CB 3.69Å; M771-R777 HydrophobicContact SD-CG 3.82Å; M771-L779 HydrophobicContact CB-CD2 4.24Å; M771-L779 HydrophobicContact CG-CD2 4.32Å |
| 772 | M | 89.4 | Confident | 92 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 31% | 0.305 | 25% | 0.251 | S | S | . | . | trans | -76 | 153 | 178.1 | -59.2 | -177.4 | 73.6 | 0 | 0 | 111.2 | S774 P778 W780 I800 | M772-S774 PolarHBondContact O-N 2.77Å; M772-S774 VanDerWaalsContact O-N 3.1Å; M772-P778 HydrophobicContact CB-CB 4.44Å; M772-P778 HydrophobicContact CB-CG 4.48Å; M772-P778 PolarHBondContact N-O 2.61Å; M772-P778 HydrophobicContact SD-CB 4.13Å; M772-W780 HydrophobicContact CE-CE3 4.25Å; M772-W780 HydrophobicContact CG-CB 4.29Å; M772-W780 HydrophobicContact SD-CE3 4.1Å; M772-I800 HydrophobicContact CE-CD1 4.27Å; M772-I800 HydrophobicContact SD-CD1 3.86Å; M772-I800 HydrophobicContact SD-CG1 3.99Å; M772-I800 HydrophobicContact SD-CG2 4.15Å | ||
| 773 | S | 80.1 | Confident | 92 | Very high | 94 Ų | 94 | 48 Ų | 48 | 66% | 0.657 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -73.8 | 5.3 | -175.6 | 53.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 774 | S | 80.6 | Confident | 92 | Very high | 60 Ų | 60 | 47.9 Ų | 47.9 | 42% | 0.42 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -71.2 | 150.8 | 177.3 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | M772 K776 R777 | M772-S774 PolarHBondContact O-N 2.77Å; M772-S774 VanDerWaalsContact O-N 3.1Å; S774-K776 PolarHBondContact O-N 3.37Å; S774-K776 VanDerWaalsContact O-N 3.09Å; S774-R777 WeakPolarHBondContact O-CA 3.37Å; S774-R777 PolarHBondContact O-N 3.41Å |
| 775 | A | 74.4 | Confident | 92.1 | Very high | 94 Ų | 94 | 47.6 Ų | 47.6 | 78% | 0.777 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R777 | A775-R777 VanDerWaalsContact C-N 3.28Å; A775-R777 PolarHBondContact O-N 3.41Å |
| 776 | K | 80.6 | Confident | 92.1 | Very high | 79 Ų | 79 | 47.7 Ų | 47.7 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -1 | 178.8 | -59.7 | -70.3 | -177.3 | 142.2 | 0 | 113.8 | S774 G804 D805 | S774-K776 PolarHBondContact O-N 3.37Å; S774-K776 VanDerWaalsContact O-N 3.09Å; K776-G804 PolarHBondContact NZ-O 2.96Å; K776-D805 WeakPolarHBondContact CE-OD1 3.4Å; K776-D805 IonicContact NZ-OD1 3.43Å; K776-D805 PolarHBondContact NZ-OD1 3.2Å; K776-D805 VanDerWaalsContact NZ-OD1 3.1Å |
| 777 | R | 84.1 | Confident | 92.2 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | trans | 50.1 | 53.9 | 178.2 | -58.7 | 174.6 | -171.6 | -151.7 | -14.2 | 114.7 | L719 K723 K724 Q731 M771 S774 A775 | L719-R777 PolarHBondContact O-NH1 3.38Å; K723-R777 PolarHBondContact O-NH1 3.29Å; K724-R777 PolarHBondContact O-NH2 2.9Å; Q731-R777 VanDerWaalsContact CD-NH1 3.26Å; Q731-R777 VanDerWaalsContact NE2-CZ 3.33Å; M771-R777 HydrophobicContact CG-CB 3.96Å; M771-R777 HydrophobicContact SD-CB 3.69Å; M771-R777 HydrophobicContact SD-CG 3.82Å; S774-R777 WeakPolarHBondContact O-CA 3.37Å; S774-R777 PolarHBondContact O-N 3.41Å; A775-R777 VanDerWaalsContact C-N 3.28Å; A775-R777 PolarHBondContact O-N 3.41Å | ||
| 778 | P | 93.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | trans | -58.9 | 146.3 | 174.3 | -14.5 | 27.1 | 0 | 0 | 0 | 111.5 | M772 I800 F801 K802 | M772-P778 HydrophobicContact CB-CB 4.44Å; M772-P778 HydrophobicContact CB-CG 4.48Å; M772-P778 PolarHBondContact N-O 2.61Å; M772-P778 HydrophobicContact SD-CB 4.13Å; P778-I800 HydrophobicContact CB-CG2 3.67Å; P778-F801 CarbonylContact C-O 3.53Å; P778-F801 WeakPolarHBondContact CA-O 3.36Å; P778-K802 HydrophobicContact CB-CB 4.45Å; P778-K802 HydrophobicContact CB-CG 4.29Å; P778-K802 HydrophobicContact CG-CD 4.44Å; P778-K802 HydrophobicContact CG-CG 4.16Å | ||
| 779 | L | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.1 | 173.7 | -58.1 | -176.8 | 0 | 0 | 0 | 109.7 | L712 L715 T716 L719 L735 M771 L781 I800 F801 | L712-L779 HydrophobicContact CD2-CD1 4.27Å; L715-L779 HydrophobicContact CD2-CD1 4.42Å; T716-L779 HydrophobicContact CG2-CD1 3.51Å; T716-L779 HydrophobicContact CG2-CD2 4.34Å; T716-L779 HydrophobicContact CG2-CG 3.65Å; L719-L779 HydrophobicContact CD1-CD2 4.14Å; L735-L779 HydrophobicContact CD1-CD1 4.23Å; L735-L779 HydrophobicContact CD1-CD2 3.96Å; L735-L779 HydrophobicContact CD2-CD2 4.25Å; M771-L779 HydrophobicContact CB-CD2 4.24Å; M771-L779 HydrophobicContact CG-CD2 4.32Å; L779-L781 HydrophobicContact CB-CD2 4.21Å; L779-L781 HydrophobicContact CB-CG 4.19Å; L779-I800 CarbonylContact O-C 3.49Å; L779-I800 VanDerWaalsContact O-CA 3.29Å; L779-I800 WeakPolarHBondContact O-CA 3.24Å; L779-F801 HydrophobicContact CB-CB 4.37Å; L779-F801 PolarHBondContact N-O 3.3Å; L779-F801 PolarHBondContact O-N 2.87Å |
| 780 | W | 97.8 | Very high | 92.2 | Very high | 40 Ų | 40 | 42.7 Ų | 42.7 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 115.2 | 165.4 | -174.8 | -70.6 | 0 | 0 | 0 | 108.3 | C769 R770 M772 E798 I800 V850 | C769-W780 VanDerWaalsContact CA-O 3.28Å; C769-W780 WeakPolarHBondContact CA-O 3.32Å; R770-W780 HydrophobicContact CG-CB 3.76Å; R770-W780 HydrophobicContact CG-CG 4.23Å; R770-W780 PolarHBondContact N-O 2.8Å; R770-W780 WeakPolarHBondContact O-CB 3.45Å; R770-W780 PolarHBondContact O-N 2.98Å; M772-W780 HydrophobicContact CE-CE3 4.25Å; M772-W780 HydrophobicContact CG-CB 4.29Å; M772-W780 HydrophobicContact SD-CE3 4.1Å; W780-E798 PolarHBondContact NE1-OE1 2.95Å; W780-I800 HydrophobicContact CE3-CD1 4.2Å; W780-I800 HydrophobicContact CE3-CG1 4.04Å; W780-I800 HydrophobicContact CZ3-CD1 4.3Å; W780-V850 HydrophobicContact CD2-CG2 4.3Å; W780-V850 HydrophobicContact CE3-CG2 4.18Å; W780-V850 HydrophobicContact CH2-CB 4.27Å; W780-V850 HydrophobicContact CH2-CG1 3.28Å; W780-V850 HydrophobicContact CH2-CG2 3.92Å; W780-V850 HydrophobicContact CZ2-CB 4.36Å; W780-V850 HydrophobicContact CZ2-CG1 3.47Å; W780-V850 VanDerWaalsContact CZ2-CG1 3.47Å; W780-V850 HydrophobicContact CZ2-CG2 4.03Å; W780-V850 HydrophobicContact CZ3-CG1 4.09Å; W780-V850 HydrophobicContact CZ3-CG2 3.99Å |
| 781 | L | 98.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.4 | -177 | -58.1 | 170.4 | 0 | 0 | 0 | 109.6 | L712 M739 L779 W783 E798 I799 F801 | L712-L781 HydrophobicContact CD1-CD1 3.6Å; L712-L781 HydrophobicContact CD2-CD1 3.74Å; L712-L781 HydrophobicContact CD2-CD2 4.42Å; L712-L781 HydrophobicContact CG-CD1 4.34Å; M739-L781 HydrophobicContact CE-CD2 3.76Å; L779-L781 HydrophobicContact CB-CD2 4.21Å; L779-L781 HydrophobicContact CB-CG 4.19Å; L781-W783 HydrophobicContact CB-CE3 4.12Å; L781-W783 HydrophobicContact CB-CH2 3.27Å; L781-W783 HydrophobicContact CB-CZ2 4.06Å; L781-W783 HydrophobicContact CB-CZ3 3.29Å; L781-W783 HydrophobicContact CD1-CH2 3.5Å; L781-W783 VanDerWaalsContact CD1-CH2 3.5Å; L781-W783 HydrophobicContact CD1-CZ2 4.17Å; L781-W783 HydrophobicContact CD1-CZ3 4.3Å; L781-W783 HydrophobicContact CG-CH2 3.98Å; L781-W783 HydrophobicContact CG-CZ3 4.42Å; L781-E798 WeakPolarHBondContact O-CA 3.39Å; L781-I799 PolarHBondContact N-O 3.14Å; L781-I799 PolarHBondContact O-N 3.1Å; L781-F801 HydrophobicContact CD1-CB 3.92Å |
| 782 | N | 98.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.011 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 126 | -176 | -173.5 | -50.4 | 0 | 0 | 0 | 109.8 | R765 E768 C769 N797 E798 | R765-N782 HydrophobicContact CB-CB 4.42Å; R765-N782 PolarHBondContact N-O 3.41Å; E768-N782 HydrophobicContact CB-CB 3.83Å; C769-N782 PolarHBondContact SG-N 3.43Å; C769-N782 VanDerWaalsContact SG-N 3.39Å; N782-N797 WeakPolarHBondContact CA-O 3.21Å; N782-E798 HydrophobicContact CB-CG 4.3Å; N782-E798 VanDerWaalsContact ND2-CG 3.32Å; N782-E798 WeakPolarHBondContact ND2-CG 3.3Å; N782-E798 PolarHBondContact ND2-OE1 2.95Å |
| 783 | W | 98.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.6 | 177.2 | -67.4 | -93.5 | 0 | 0 | 0 | 111.4 | L748 F751 L761 N763 L764 L781 N796 N797 I799 | L748-W783 PolarHBondContact O-NE1 2.86Å; F751-W783 HydrophobicContact CE1-CZ2 4.34Å; F751-W783 HydrophobicContact CZ-CZ2 4.26Å; L761-W783 HydrophobicContact CB-CB 4.15Å; L761-W783 HydrophobicContact CB-CD2 4.25Å; L761-W783 HydrophobicContact CB-CG 3.88Å; L761-W783 HydrophobicContact CD1-CD2 4.27Å; L761-W783 HydrophobicContact CD1-CE3 4.34Å; L761-W783 HydrophobicContact CD1-CZ3 4.47Å; L761-W783 HydrophobicContact CD2-CB 4.03Å; L761-W783 HydrophobicContact CD2-CD2 4.08Å; L761-W783 HydrophobicContact CD2-CE3 3.99Å; L761-W783 HydrophobicContact CD2-CG 4.14Å; L761-W783 HydrophobicContact CG-CD2 4.43Å; L761-W783 HydrophobicContact CG-CG 4.47Å; N763-W783 CarbonylContact O-C 3.6Å; N763-W783 WeakPolarHBondContact O-CA 3.31Å; L764-W783 HydrophobicContact CD1-CZ2 4.19Å; L781-W783 HydrophobicContact CB-CE3 4.12Å; L781-W783 HydrophobicContact CB-CH2 3.27Å; L781-W783 HydrophobicContact CB-CZ2 4.06Å; L781-W783 HydrophobicContact CB-CZ3 3.29Å; L781-W783 HydrophobicContact CD1-CH2 3.5Å; L781-W783 VanDerWaalsContact CD1-CH2 3.5Å; L781-W783 HydrophobicContact CD1-CZ2 4.17Å; L781-W783 HydrophobicContact CD1-CZ3 4.3Å; L781-W783 HydrophobicContact CG-CH2 3.98Å; L781-W783 HydrophobicContact CG-CZ3 4.42Å; W783-N796 CarbonylContact O-C 3.51Å; W783-N796 VanDerWaalsContact O-CA 3.29Å; W783-N796 WeakPolarHBondContact O-CA 3.3Å; W783-N797 PolarHBondContact N-O 2.78Å; W783-N797 PolarHBondContact O-N 2.99Å; W783-I799 HydrophobicContact CZ3-CB 4.05Å; W783-I799 HydrophobicContact CZ3-CD1 4.17Å; W783-I799 HydrophobicContact CZ3-CG1 4.25Å |
| 784 | E | 98.4 | Very high | 93.5 | Very high | 82 Ų | 82 | 40.9 Ų | 40.9 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 141.4 | 163.8 | -64.8 | -179.4 | 164.7 | 0 | 0 | 110.1 | G762 N763 R765 P786 | G762-E784 WeakPolarHBondContact CA-O 3.47Å; G762-E784 PolarHBondContact N-O 3.21Å; N763-E784 HydrophobicContact CB-CG 4.5Å; N763-E784 PolarHBondContact ND2-OE2 2.62Å; N763-E784 PolarHBondContact O-N 3.16Å; R765-E784 HydrophobicContact CG-CG 3.78Å; E784-P786 WeakPolarHBondContact O-CD 3.39Å |
| 785 | N | 98.2 | Very high | 94.3 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.053 | 23% | 0.229 | C | C | . | . | trans | -85.8 | 113.2 | 167.5 | 179.3 | -2.1 | 0 | 0 | 0 | 109.1 | G256 D787 S790 F794 Q795 | G256-N785 PolarHBondContact O-ND2 3.44Å; N785-D787 PolarHBondContact O-N 2.94Å; N785-D787 WeakPolarHBondContact OD1-CB 3.18Å; N785-D787 PolarHBondContact OD1-N 2.88Å; N785-D787 VanDerWaalsContact OD1-N 3.11Å; N785-S790 WeakPolarHBondContact O-CB 3.2Å; N785-S790 PolarHBondContact O-OG 3.21Å; N785-F794 HydrophobicContact CB-CD2 4.1Å; N785-F794 HydrophobicContact CB-CE2 4.09Å; N785-F794 VanDerWaalsContact CB-O 3.24Å; N785-F794 WeakPolarHBondContact CB-O 3.42Å; N785-F794 WeakPolarHBondContact ND2-CE2 3.48Å; N785-F794 PolarHBondContact ND2-O 3.24Å; N785-Q795 PolarHBondContact N-O 3.15Å | ||
| 786 | P | 97.6 | Very high | 95.4 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 44% | 0.442 | 20% | 0.198 | S | C | . | . | trans | -77.3 | -3.9 | -174.2 | 33.7 | -37.2 | 0 | 0 | 0 | 113.9 | Q760 E784 | Q760-P786 HydrophobicContact CB-CG 3.57Å; E784-P786 WeakPolarHBondContact O-CD 3.39Å | ||
| 787 | D | 96.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -61.1 | 138.1 | 178.5 | -173.4 | -88.6 | 0 | 0 | 0 | 111.5 | K253 G256 N785 M789 S790 | K253-D787 IonicContact NZ-OD2 3.17Å; K253-D787 PolarHBondContact NZ-OD2 3.44Å; G256-D787 WeakPolarHBondContact CA-OD1 3.48Å; G256-D787 PolarHBondContact N-OD1 2.84Å; N785-D787 PolarHBondContact O-N 2.94Å; N785-D787 WeakPolarHBondContact OD1-CB 3.18Å; N785-D787 PolarHBondContact OD1-N 2.88Å; N785-D787 VanDerWaalsContact OD1-N 3.11Å; D787-M789 PolarHBondContact O-N 2.9Å; D787-M789 WeakPolarHBondContact OD1-CA 3.26Å; D787-M789 WeakPolarHBondContact OD1-CB 3.38Å; D787-M789 PolarHBondContact OD1-N 2.85Å; D787-S790 VanDerWaalsContact O-CB 3.3Å; D787-S790 WeakPolarHBondContact O-CB 3.3Å; D787-S790 PolarHBondContact O-N 3.03Å; D787-S790 PolarHBondContact O-OG 3.24Å |
| 788 | M | 93.6 | Very high | 96.9 | Very high | 93 Ų | 93 | 36.6 Ų | 36.6 | 46% | 0.458 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21 | -178.4 | -68.3 | -173.9 | 74.9 | 0 | 0 | 113.5 | I197 N202 K204 | I197-M788 HydrophobicContact CD1-CB 4.17Å; I197-M788 HydrophobicContact CD1-CE 3.74Å; I197-M788 HydrophobicContact CD1-SD 3.7Å; I197-M788 HydrophobicContact CG2-CE 4.16Å; N202-M788 HydrophobicContact CB-CE 4.01Å; K204-M788 WeakPolarHBondContact CE-O 3.47Å; K204-M788 PolarHBondContact NZ-O 3.17Å |
| 789 | M | 96.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 24.7 | -179.6 | -61.5 | -72.1 | -179.2 | 0 | 0 | 111.9 | W195 I197 K204 C255 M286 D787 E791 L792 | W195-M789 HydrophobicContact CB-CE 3.96Å; I197-M789 HydrophobicContact CD1-CE 3.77Å; I197-M789 HydrophobicContact CG1-CE 3.48Å; I197-M789 VanDerWaalsContact CG1-CE 3.48Å; K204-M789 HydrophobicContact CB-CE 4.26Å; K204-M789 HydrophobicContact CD-CE 3.84Å; K204-M789 HydrophobicContact CD-SD 3.65Å; K204-M789 HydrophobicContact CG-CE 3.71Å; K204-M789 HydrophobicContact CG-SD 4.22Å; C255-M789 HydrophobicContact CB-CB 3.74Å; C255-M789 HydrophobicContact CB-CG 4.37Å; M286-M789 HydrophobicContact SD-CE 4.14Å; M286-M789 HydrophobicContact SD-CG 4.25Å; D787-M789 PolarHBondContact O-N 2.9Å; D787-M789 WeakPolarHBondContact OD1-CA 3.26Å; D787-M789 WeakPolarHBondContact OD1-CB 3.38Å; D787-M789 PolarHBondContact OD1-N 2.85Å; M789-E791 WeakPolarHBondContact CA-OE2 3.29Å; M789-E791 PolarHBondContact O-N 2.84Å; M789-E791 VanDerWaalsContact O-N 3.12Å; M789-L792 HydrophobicContact CB-CD1 4.26Å; M789-L792 WeakPolarHBondContact O-CB 3.49Å; M789-L792 PolarHBondContact O-N 2.99Å; M789-L792 HydrophobicContact SD-CD1 4.09Å |
| 790 | S | 96.2 | Very high | 97.2 | Very high | 18 Ų | 18 | 37.6 Ų | 37.6 | 13% | 0.126 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -56.3 | -28.2 | -177.2 | 63.9 | 0 | 0 | 0 | 0 | 113.7 | N785 D787 L792 L793 F794 | N785-S790 WeakPolarHBondContact O-CB 3.2Å; N785-S790 PolarHBondContact O-OG 3.21Å; D787-S790 VanDerWaalsContact O-CB 3.3Å; D787-S790 WeakPolarHBondContact O-CB 3.3Å; D787-S790 PolarHBondContact O-N 3.03Å; D787-S790 PolarHBondContact O-OG 3.24Å; S790-L792 PolarHBondContact O-N 3.06Å; S790-L793 PolarHBondContact O-N 3.1Å; S790-F794 CarbonylContact O-C 3.6Å; S790-F794 WeakPolarHBondContact O-CA 3.27Å; S790-F794 PolarHBondContact O-N 3.17Å; S790-F794 VanDerWaalsContact O-O 3.12Å |
| 791 | E | 95.7 | Very high | 97.2 | Very high | 84 Ų | 84 | 35.7 Ų | 35.7 | 39% | 0.393 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -63.7 | -19.1 | 176.5 | 74.8 | -78.9 | -175 | 0 | 0 | 114.1 | K204 M789 Q795 | K204-E791 VanDerWaalsContact NZ-CD 3.27Å; K204-E791 IonicContact NZ-OE1 3.36Å; K204-E791 PolarHBondContact NZ-OE1 3.01Å; K204-E791 IonicContact NZ-OE2 2.71Å; K204-E791 PolarHBondContact NZ-OE2 2.78Å; M789-E791 WeakPolarHBondContact CA-OE2 3.29Å; M789-E791 PolarHBondContact O-N 2.84Å; M789-E791 VanDerWaalsContact O-N 3.12Å; E791-Q795 HydrophobicContact CB-CG 4.41Å |
| 792 | L | 96.8 | Very high | 97.1 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -91.1 | -8 | -178.9 | -60.3 | 178 | 0 | 0 | 0 | 113.6 | W195 C255 N284 M789 S790 | W195-L792 HydrophobicContact CD2-CD1 4.05Å; W195-L792 VanDerWaalsContact CE2-CD1 3.49Å; W195-L792 HydrophobicContact CG-CD1 4.26Å; W195-L792 HydrophobicContact CZ2-CD1 3.84Å; W195-L792 HydrophobicContact CZ2-CD2 4.01Å; C255-L792 HydrophobicContact CB-CB 4.02Å; C255-L792 HydrophobicContact CB-CD1 3.89Å; N284-L792 HydrophobicContact CB-CB 4.36Å; N284-L792 HydrophobicContact CB-CD1 4.17Å; M789-L792 HydrophobicContact CB-CD1 4.26Å; M789-L792 WeakPolarHBondContact O-CB 3.49Å; M789-L792 PolarHBondContact O-N 2.99Å; M789-L792 HydrophobicContact SD-CD1 4.09Å; S790-L792 PolarHBondContact O-N 3.06Å |
| 793 | L | 95.6 | Very high | 96.9 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 31% | 0.314 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129 | -68.5 | 179.5 | -170.4 | 68.7 | 0 | 0 | 0 | 111.5 | C255 C257 Y272 S790 | C255-L793 WeakPolarHBondContact O-CB 3.15Å; C257-L793 HydrophobicContact CB-CD2 3.88Å; Y272-L793 HydrophobicContact CE2-CD1 4.31Å; S790-L793 PolarHBondContact O-N 3.1Å |
| 794 | F | 95.9 | Very high | 96.4 | Very high | 37 Ų | 37 | 38 Ų | 38 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | trans | -161.2 | 134.4 | 170.2 | 52.8 | -98 | 0 | 0 | 0 | 110.3 | H759 N785 S790 N796 N797 | H759-F794 HydrophobicContact CB-CZ 4.4Å; H759-F794 AromaticContact CD2-CZ 3.82Å; H759-F794 AromaticContact CE1-CE1 3.86Å; H759-F794 AromaticContact CE1-CZ 3.8Å; H759-F794 AromaticContact CG-CZ 3.77Å; H759-F794 AromaticContact ND1-CZ 3.76Å; H759-F794 AromaticContact NE2-CE1 3.88Å; H759-F794 AromaticContact NE2-CZ 3.85Å; N785-F794 HydrophobicContact CB-CD2 4.1Å; N785-F794 HydrophobicContact CB-CE2 4.09Å; N785-F794 VanDerWaalsContact CB-O 3.24Å; N785-F794 WeakPolarHBondContact CB-O 3.42Å; N785-F794 WeakPolarHBondContact ND2-CE2 3.48Å; N785-F794 PolarHBondContact ND2-O 3.24Å; S790-F794 CarbonylContact O-C 3.6Å; S790-F794 WeakPolarHBondContact O-CA 3.27Å; S790-F794 PolarHBondContact O-N 3.17Å; S790-F794 VanDerWaalsContact O-O 3.12Å; F794-N796 WeakPolarHBondContact CD2-O 3.3Å; F794-N797 HydrophobicContact CD2-CB 4.36Å; F794-N797 HydrophobicContact CE2-CB 4.04Å | ||
| 795 | Q | 96.9 | Very high | 96 | Very high | 122 Ų | 122 | 36.2 Ų | 36.2 | 57% | 0.57 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -82.3 | -25.5 | 175.2 | -64.3 | 179.8 | -58.7 | 0 | 0 | 113.4 | N785 E791 | N785-Q795 PolarHBondContact N-O 3.15Å; E791-Q795 HydrophobicContact CB-CG 4.41Å |
| 796 | N | 96.9 | Very high | 95.6 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 14% | 0.139 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.6 | 179.4 | -54 | -47.3 | 0 | 0 | 0 | 109.3 | R765 W783 F794 R852 | R765-N796 WeakPolarHBondContact CD-OD1 3.4Å; R765-N796 PolarHBondContact NH1-ND2 3.38Å; R765-N796 PolarHBondContact NH1-OD1 2.78Å; W783-N796 CarbonylContact O-C 3.51Å; W783-N796 VanDerWaalsContact O-CA 3.29Å; W783-N796 WeakPolarHBondContact O-CA 3.3Å; F794-N796 WeakPolarHBondContact CD2-O 3.3Å; N796-R852 PolarHBondContact O-NH1 3.18Å; N796-R852 VanDerWaalsContact O-NH1 3.08Å |
| 797 | N | 97.9 | Very high | 95.5 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 8% | 0.08 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.2 | 172 | -164.4 | -18.1 | 0 | 0 | 0 | 108.8 | L761 N782 W783 F794 | L761-N797 HydrophobicContact CD2-CB 3.8Å; L761-N797 VanDerWaalsContact CD2-ND2 3.34Å; L761-N797 WeakPolarHBondContact CD2-ND2 3.49Å; N782-N797 WeakPolarHBondContact CA-O 3.21Å; W783-N797 PolarHBondContact N-O 2.78Å; W783-N797 PolarHBondContact O-N 2.99Å; F794-N797 HydrophobicContact CD2-CB 4.36Å; F794-N797 HydrophobicContact CE2-CB 4.04Å |
| 798 | E | 98.3 | Very high | 95.5 | Very high | 29 Ų | 29 | 35 Ų | 35 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.8 | -172.1 | -65.8 | -177.8 | 125.4 | 0 | 0 | 109.6 | W780 L781 N782 V850 | W780-E798 PolarHBondContact NE1-OE1 2.95Å; L781-E798 WeakPolarHBondContact O-CA 3.39Å; N782-E798 HydrophobicContact CB-CG 4.3Å; N782-E798 VanDerWaalsContact ND2-CG 3.32Å; N782-E798 WeakPolarHBondContact ND2-CG 3.3Å; N782-E798 PolarHBondContact ND2-OE1 2.95Å; E798-V850 HydrophobicContact CB-CB 3.61Å; E798-V850 HydrophobicContact CB-CG1 3.95Å; E798-V850 HydrophobicContact CB-CG2 3.86Å; E798-V850 WeakPolarHBondContact O-CB 3.49Å; E798-V850 PolarHBondContact O-N 3.41Å; E798-V850 VanDerWaalsContact O-N 3.17Å |
| 799 | I | 98.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.2 | -177.6 | -54.9 | 174 | 0 | 0 | 0 | 108.6 | S753 L755 L761 L781 W783 L847 | S753-I799 WeakPolarHBondContact OG-CD1 3.47Å; L755-I799 HydrophobicContact CD1-CD1 4.2Å; L755-I799 HydrophobicContact CD1-CG1 4.15Å; L755-I799 HydrophobicContact CD1-CG2 3.75Å; L761-I799 HydrophobicContact CD1-CD1 4.26Å; L761-I799 HydrophobicContact CD2-CD1 4.35Å; L781-I799 PolarHBondContact N-O 3.14Å; L781-I799 PolarHBondContact O-N 3.1Å; W783-I799 HydrophobicContact CZ3-CB 4.05Å; W783-I799 HydrophobicContact CZ3-CD1 4.17Å; W783-I799 HydrophobicContact CZ3-CG1 4.25Å; I799-L847 HydrophobicContact CG2-CB 3.97Å; I799-L847 HydrophobicContact CG2-CD2 3.97Å; I799-L847 HydrophobicContact CG2-CG 4.45Å |
| 800 | I | 98.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 119 | 169 | -63.8 | 165.5 | 0 | 0 | 0 | 108 | M772 P778 L779 W780 L847 I848 V850 | M772-I800 HydrophobicContact CE-CD1 4.27Å; M772-I800 HydrophobicContact SD-CD1 3.86Å; M772-I800 HydrophobicContact SD-CG1 3.99Å; M772-I800 HydrophobicContact SD-CG2 4.15Å; P778-I800 HydrophobicContact CB-CG2 3.67Å; L779-I800 CarbonylContact O-C 3.49Å; L779-I800 VanDerWaalsContact O-CA 3.29Å; L779-I800 WeakPolarHBondContact O-CA 3.24Å; W780-I800 HydrophobicContact CE3-CD1 4.2Å; W780-I800 HydrophobicContact CE3-CG1 4.04Å; W780-I800 HydrophobicContact CZ3-CD1 4.3Å; I800-L847 CarbonylContact O-C 3.53Å; I800-L847 WeakPolarHBondContact O-CA 3.3Å; I800-I848 HydrophobicContact CB-CB 4.23Å; I800-I848 PolarHBondContact N-O 3.32Å; I800-I848 PolarHBondContact O-N 2.95Å; I800-V850 HydrophobicContact CD1-CG2 4.06Å; I800-V850 HydrophobicContact CG1-CG2 3.74Å |
| 801 | F | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125 | 166.4 | 176.2 | -85.1 | 0 | 0 | 0 | 109.1 | M709 L712 I713 T716 P778 L779 L781 N803 I841 V845 L847 | M709-F801 HydrophobicContact SD-CD2 4.42Å; M709-F801 HydrophobicContact SD-CE2 4.4Å; L712-F801 HydrophobicContact CB-CD1 4.09Å; L712-F801 HydrophobicContact CB-CD2 3.79Å; L712-F801 HydrophobicContact CB-CE1 3.9Å; L712-F801 HydrophobicContact CB-CE2 3.57Å; L712-F801 HydrophobicContact CB-CG 4.04Å; L712-F801 HydrophobicContact CB-CZ 3.64Å; L712-F801 HydrophobicContact CD1-CB 4.23Å; L712-F801 HydrophobicContact CD1-CD2 3.58Å; L712-F801 HydrophobicContact CD1-CE2 4.11Å; L712-F801 HydrophobicContact CD1-CG 3.95Å; L712-F801 HydrophobicContact CG-CD2 4.32Å; I713-F801 HydrophobicContact CG1-CE2 4.4Å; I713-F801 HydrophobicContact CG1-CZ 3.79Å; T716-F801 HydrophobicContact CG2-CD1 3.87Å; T716-F801 HydrophobicContact CG2-CE1 3.7Å; P778-F801 CarbonylContact C-O 3.53Å; P778-F801 WeakPolarHBondContact CA-O 3.36Å; L779-F801 HydrophobicContact CB-CB 4.37Å; L779-F801 PolarHBondContact N-O 3.3Å; L779-F801 PolarHBondContact O-N 2.87Å; L781-F801 HydrophobicContact CD1-CB 3.92Å; F801-N803 HydrophobicContact CE1-CB 3.88Å; F801-N803 HydrophobicContact CZ-CB 4.45Å; F801-I841 HydrophobicContact CE2-CD1 3.98Å; F801-V845 HydrophobicContact CE1-CG2 4.24Å; F801-V845 HydrophobicContact CE2-CG2 3.79Å; F801-V845 HydrophobicContact CZ-CG2 3.46Å; F801-V845 VanDerWaalsContact CZ-CG2 3.46Å; F801-L847 HydrophobicContact CB-CD2 4.18Å; F801-L847 HydrophobicContact CD2-CD2 3.73Å; F801-L847 HydrophobicContact CG-CD2 4.43Å |
| 802 | K | 95.9 | Very high | 95.5 | Very high | 22 Ų | 22 | 27.6 Ų | 27.6 | 10% | 0.096 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.2 | -175 | -165.5 | 172.6 | -180 | -156.5 | 0 | 109.8 | P778 D805 L807 V845 G846 I848 | P778-K802 HydrophobicContact CB-CB 4.45Å; P778-K802 HydrophobicContact CB-CG 4.29Å; P778-K802 HydrophobicContact CG-CD 4.44Å; P778-K802 HydrophobicContact CG-CG 4.16Å; K802-D805 WeakPolarHBondContact CE-OD2 3.43Å; K802-D805 IonicContact NZ-OD2 2.62Å; K802-D805 PolarHBondContact NZ-OD2 2.99Å; K802-L807 HydrophobicContact CD-CD2 4.32Å; K802-V845 WeakPolarHBondContact O-CA 3.45Å; K802-G846 PolarHBondContact N-O 3.28Å; K802-G846 PolarHBondContact O-N 2.9Å; K802-I848 HydrophobicContact CD-CD1 4.15Å |
| 803 | N | 93.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.7 | 174.9 | 171.3 | -12.5 | 0 | 0 | 0 | 108.7 | T716 D717 K720 F801 V845 | T716-N803 WeakPolarHBondContact OG1-CB 3.42Å; T716-N803 PolarHBondContact OG1-ND2 3.19Å; D717-N803 PolarHBondContact OD1-ND2 2.77Å; K720-N803 VanDerWaalsContact NZ-C 3.34Å; K720-N803 PolarHBondContact NZ-O 3Å; K720-N803 PolarHBondContact NZ-OD1 3.31Å; F801-N803 HydrophobicContact CE1-CB 3.88Å; F801-N803 HydrophobicContact CZ-CB 4.45Å; N803-V845 HydrophobicContact CB-CG2 4.25Å |
| 804 | G | 88.7 | Confident | 95.6 | Very high | 18 Ų | 18 | 22.7 Ų | 22.7 | 19% | 0.186 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 123.5 | 5.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | K776 C844 | K776-G804 PolarHBondContact NZ-O 2.96Å; G804-C844 WeakPolarHBondContact CA-O 3.34Å; G804-C844 PolarHBondContact N-O 3.11Å |
| 805 | D | 89.8 | Confident | 95.7 | Very high | 45 Ų | 45 | 21.8 Ų | 21.8 | 24% | 0.241 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -131.6 | 142.9 | 174.3 | -69.1 | -22.1 | 0 | 0 | 0 | 109.7 | K776 K802 L807 C844 | K776-D805 WeakPolarHBondContact CE-OD1 3.4Å; K776-D805 IonicContact NZ-OD1 3.43Å; K776-D805 PolarHBondContact NZ-OD1 3.2Å; K776-D805 VanDerWaalsContact NZ-OD1 3.1Å; K802-D805 WeakPolarHBondContact CE-OD2 3.43Å; K802-D805 IonicContact NZ-OD2 2.62Å; K802-D805 PolarHBondContact NZ-OD2 2.99Å; D805-L807 PolarHBondContact O-N 3.36Å; D805-C844 PolarHBondContact N-O 3.04Å; D805-C844 CarbonylContact O-C 3.5Å; D805-C844 VanDerWaalsContact O-CA 3.31Å; D805-C844 WeakPolarHBondContact O-CA 3.27Å |
| 806 | D | 91.1 | Very high | 95.8 | Very high | 33 Ų | 33 | 16 Ų | 16 | 18% | 0.176 | 8% | 0.083 | C | C | . | . | trans | -76.9 | 103.6 | 177.6 | -176.3 | 0.6 | 0 | 0 | 0 | 111.1 | R808 | D806-R808 VanDerWaalsContact C-N 3.28Å; D806-R808 PolarHBondContact O-N 2.9Å; D806-R808 VanDerWaalsContact OD1-CB 3.29Å; D806-R808 WeakPolarHBondContact OD1-CB 3.48Å; D806-R808 VanDerWaalsContact OD1-CG 3.26Å; D806-R808 WeakPolarHBondContact OD1-CG 3.38Å; D806-R808 IonicContact OD1-CZ 3.46Å; D806-R808 PolarHBondContact OD1-N 2.86Å; D806-R808 IonicContact OD1-NE 3.82Å; D806-R808 PolarHBondContact OD1-NE 3.26Å; D806-R808 IonicContact OD1-NH2 3.44Å; D806-R808 IonicContact OD2-CZ 3.17Å; D806-R808 IonicContact OD2-NE 2.76Å; D806-R808 PolarHBondContact OD2-NE 3.36Å; D806-R808 IonicContact OD2-NH2 2.61Å; D806-R808 PolarHBondContact OD2-NH2 3.13Å | ||
| 807 | L | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -3.1 | -177.9 | -61.7 | -167.5 | 0 | 0 | 0 | 114.3 | K802 D805 Q809 D810 M811 I848 | K802-L807 HydrophobicContact CD-CD2 4.32Å; D805-L807 PolarHBondContact O-N 3.36Å; L807-Q809 PolarHBondContact O-N 3.05Å; L807-D810 PolarHBondContact O-N 3.36Å; L807-M811 VanDerWaalsContact O-CG 3.29Å; L807-M811 WeakPolarHBondContact O-CG 3.42Å; L807-M811 PolarHBondContact O-N 3.25Å; L807-I848 HydrophobicContact CD1-CD1 4.28Å; L807-I848 HydrophobicContact CD1-CG1 3.99Å; L807-I848 HydrophobicContact CD2-CD1 4.25Å |
| 808 | R | 95.3 | Very high | 95.9 | Very high | 41 Ų | 41 | 19.5 Ų | 19.5 | 16% | 0.155 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.6 | -32.6 | -179.3 | -64.2 | 175.3 | -63.7 | 163.5 | 8.8 | 111.9 | D806 M811 L812 S1008 G1009 M1010 | D806-R808 VanDerWaalsContact C-N 3.28Å; D806-R808 PolarHBondContact O-N 2.9Å; D806-R808 VanDerWaalsContact OD1-CB 3.29Å; D806-R808 WeakPolarHBondContact OD1-CB 3.48Å; D806-R808 VanDerWaalsContact OD1-CG 3.26Å; D806-R808 WeakPolarHBondContact OD1-CG 3.38Å; D806-R808 IonicContact OD1-CZ 3.46Å; D806-R808 PolarHBondContact OD1-N 2.86Å; D806-R808 IonicContact OD1-NE 3.82Å; D806-R808 PolarHBondContact OD1-NE 3.26Å; D806-R808 IonicContact OD1-NH2 3.44Å; D806-R808 IonicContact OD2-CZ 3.17Å; D806-R808 IonicContact OD2-NE 2.76Å; D806-R808 PolarHBondContact OD2-NE 3.36Å; D806-R808 IonicContact OD2-NH2 2.61Å; D806-R808 PolarHBondContact OD2-NH2 3.13Å; R808-M811 PolarHBondContact O-N 3.1Å; R808-L812 PolarHBondContact O-N 3.34Å; R808-S1008 PolarHBondContact NH1-O 3.15Å; R808-G1009 PolarHBondContact NH2-O 2.97Å; R808-M1010 HydrophobicContact CB-CG 4.27Å; R808-M1010 HydrophobicContact CB-SD 4.06Å |
| 809 | Q | 92.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 18.3 Ų | 18.3 | 5% | 0.051 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.6 | -46.3 | 175.2 | -58.2 | -161.4 | 23.4 | 0 | 0 | 112.2 | L807 L812 T813 G935 F937 M1010 E1012 | L807-Q809 PolarHBondContact O-N 3.05Å; Q809-L812 PolarHBondContact O-N 3.28Å; Q809-T813 WeakPolarHBondContact O-CB 3.48Å; Q809-T813 PolarHBondContact O-N 3.3Å; Q809-T813 PolarHBondContact O-OG1 2.84Å; Q809-G935 VanDerWaalsContact OE1-C 3.3Å; Q809-G935 PolarHBondContact OE1-O 3.3Å; Q809-F937 HydrophobicContact CB-CD1 4.15Å; Q809-F937 HydrophobicContact CB-CE1 3.7Å; Q809-F937 HydrophobicContact CG-CD1 4.49Å; Q809-F937 HydrophobicContact CG-CE1 3.74Å; Q809-M1010 HydrophobicContact CG-CG 4.33Å; Q809-M1010 HydrophobicContact CG-SD 3.94Å; Q809-E1012 PolarHBondContact OE1-OE2 3.25Å |
| 810 | D | 94.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 4% | 0.043 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 174.4 | -73.1 | -103.5 | 0 | 0 | 0 | 111.2 | L807 T813 L814 F934 G935 | L807-D810 PolarHBondContact O-N 3.36Å; D810-T813 PolarHBondContact O-N 3.01Å; D810-L814 VanDerWaalsContact O-CB 3.3Å; D810-L814 WeakPolarHBondContact O-CB 3.47Å; D810-L814 WeakPolarHBondContact O-CD1 3.34Å; D810-L814 VanDerWaalsContact O-CG 3.23Å; D810-L814 WeakPolarHBondContact O-CG 3.37Å; D810-L814 PolarHBondContact O-N 2.78Å; D810-F934 PolarHBondContact OD1-N 3.48Å; D810-G935 PolarHBondContact OD2-N 2.93Å |
| 811 | M | 97.1 | Very high | 95.8 | Very high | 18 Ų | 18 | 18.2 Ų | 18.2 | 9% | 0.089 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.2 | -50.6 | 176 | -73.1 | 175 | 70.9 | 0 | 0 | 112 | I633 L807 R808 L814 Q815 C838 L839 S840 | I633-M811 HydrophobicContact CD1-CE 3.94Å; I633-M811 HydrophobicContact CG1-CE 4.49Å; L807-M811 VanDerWaalsContact O-CG 3.29Å; L807-M811 WeakPolarHBondContact O-CG 3.42Å; L807-M811 PolarHBondContact O-N 3.25Å; R808-M811 PolarHBondContact O-N 3.1Å; M811-L814 PolarHBondContact O-N 3.46Å; M811-Q815 VanDerWaalsContact O-CB 3.31Å; M811-Q815 WeakPolarHBondContact O-CB 3.5Å; M811-Q815 PolarHBondContact O-N 3.16Å; M811-C838 HydrophobicContact CG-CB 4.24Å; M811-C838 WeakPolarHBondContact CG-O 3.38Å; M811-L839 HydrophobicContact CE-CD1 3.95Å; M811-S840 VanDerWaalsContact SD-CB 3.58Å; M811-S840 PolarHBondContact SD-N 2.96Å |
| 812 | L | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 178.6 | 179 | 59 | 0 | 0 | 0 | 110.6 | R808 Q809 L814 Q815 I816 F937 F1002 M1005 M1010 L1013 | R808-L812 PolarHBondContact O-N 3.34Å; Q809-L812 PolarHBondContact O-N 3.28Å; L812-L814 PolarHBondContact O-N 3.25Å; L812-Q815 WeakPolarHBondContact O-CB 3.48Å; L812-Q815 PolarHBondContact O-N 3.24Å; L812-I816 HydrophobicContact CD1-CD1 4.37Å; L812-I816 HydrophobicContact CD1-CG1 4.01Å; L812-I816 HydrophobicContact CG-CG1 4.33Å; L812-I816 WeakPolarHBondContact O-CB 3.43Å; L812-I816 WeakPolarHBondContact O-CG1 3.49Å; L812-I816 PolarHBondContact O-N 3.48Å; L812-F937 HydrophobicContact CD2-CE2 4.42Å; L812-F937 HydrophobicContact CD2-CZ 4.29Å; L812-F1002 HydrophobicContact CD2-CD1 3.83Å; L812-F1002 HydrophobicContact CD2-CE1 3.59Å; L812-F1002 HydrophobicContact CD2-CZ 4.48Å; L812-F1002 HydrophobicContact CG-CE1 4.14Å; L812-M1005 HydrophobicContact CD1-CG 4.18Å; L812-M1005 HydrophobicContact CD2-CB 4.36Å; L812-M1005 HydrophobicContact CD2-CG 4.1Å; L812-M1010 HydrophobicContact CD2-CE 3.82Å; L812-L1013 HydrophobicContact CD2-CD2 4.3Å |
| 813 | T | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 179.1 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | Q809 D810 Q815 I816 I817 L911 I913 F934 | Q809-T813 WeakPolarHBondContact O-CB 3.48Å; Q809-T813 PolarHBondContact O-N 3.3Å; Q809-T813 PolarHBondContact O-OG1 2.84Å; D810-T813 PolarHBondContact O-N 3.01Å; T813-Q815 PolarHBondContact O-N 3.01Å; T813-I816 PolarHBondContact O-N 3.43Å; T813-I817 HydrophobicContact CG2-CD1 3.96Å; T813-I817 WeakPolarHBondContact O-CG1 3.44Å; T813-I817 PolarHBondContact O-N 3.21Å; T813-L911 HydrophobicContact CG2-CD1 4.31Å; T813-I913 HydrophobicContact CG2-CD1 3.55Å; T813-I913 HydrophobicContact CG2-CG1 4.38Å; T813-F934 HydrophobicContact CG2-CB 3.79Å; T813-F934 HydrophobicContact CG2-CD1 3.67Å; T813-F934 HydrophobicContact CG2-CD2 4.15Å; T813-F934 HydrophobicContact CG2-CE1 4.23Å; T813-F934 HydrophobicContact CG2-CG 3.62Å |
| 814 | L | 98.3 | Very high | 96 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 178.1 | -75.3 | 164 | 0 | 0 | 0 | 112.3 | D810 M811 L812 I817 R818 P835 Y836 C838 F934 | D810-L814 VanDerWaalsContact O-CB 3.3Å; D810-L814 WeakPolarHBondContact O-CB 3.47Å; D810-L814 WeakPolarHBondContact O-CD1 3.34Å; D810-L814 VanDerWaalsContact O-CG 3.23Å; D810-L814 WeakPolarHBondContact O-CG 3.37Å; D810-L814 PolarHBondContact O-N 2.78Å; M811-L814 PolarHBondContact O-N 3.46Å; L812-L814 PolarHBondContact O-N 3.25Å; L814-I817 PolarHBondContact O-N 2.95Å; L814-R818 PolarHBondContact O-N 3.46Å; L814-P835 HydrophobicContact CD2-CB 4.38Å; L814-P835 WeakPolarHBondContact O-CB 3.34Å; L814-Y836 HydrophobicContact CD1-CD2 4.01Å; L814-Y836 HydrophobicContact CD1-CE2 3.71Å; L814-Y836 WeakPolarHBondContact CD1-O 3.46Å; L814-Y836 HydrophobicContact CD2-CD1 3.9Å; L814-Y836 HydrophobicContact CD2-CD2 4.33Å; L814-Y836 HydrophobicContact CD2-CE1 3.75Å; L814-Y836 HydrophobicContact CD2-CE2 4.21Å; L814-Y836 HydrophobicContact CD2-CG 4.17Å; L814-C838 HydrophobicContact CD1-CB 3.33Å; L814-F934 HydrophobicContact CD2-CD2 4.31Å; L814-F934 HydrophobicContact CD2-CE2 3.73Å; L814-F934 HydrophobicContact CG-CD2 4.19Å; L814-F934 HydrophobicContact CG-CE2 4.11Å |
| 815 | Q | 98.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 19 Ų | 19 | 8% | 0.084 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 174 | -177.5 | -164.9 | 31.2 | 0 | 0 | 111.2 | Q630 M811 L812 T813 R818 I819 | Q630-Q815 PolarHBondContact O-NE2 2.91Å; M811-Q815 VanDerWaalsContact O-CB 3.31Å; M811-Q815 WeakPolarHBondContact O-CB 3.5Å; M811-Q815 PolarHBondContact O-N 3.16Å; L812-Q815 WeakPolarHBondContact O-CB 3.48Å; L812-Q815 PolarHBondContact O-N 3.24Å; T813-Q815 PolarHBondContact O-N 3.01Å; Q815-R818 WeakPolarHBondContact O-CB 3.39Å; Q815-R818 PolarHBondContact O-N 2.92Å; Q815-I819 HydrophobicContact CG-CD1 4.16Å; Q815-I819 WeakPolarHBondContact O-CG1 3.34Å; Q815-I819 PolarHBondContact O-N 3.19Å |
| 816 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 177.8 | -65.4 | -72.1 | 0 | 0 | 0 | 110.8 | L812 T813 R818 I819 M820 L911 F998 L1001 F1002 | L812-I816 HydrophobicContact CD1-CD1 4.37Å; L812-I816 HydrophobicContact CD1-CG1 4.01Å; L812-I816 HydrophobicContact CG-CG1 4.33Å; L812-I816 WeakPolarHBondContact O-CB 3.43Å; L812-I816 WeakPolarHBondContact O-CG1 3.49Å; L812-I816 PolarHBondContact O-N 3.48Å; T813-I816 PolarHBondContact O-N 3.43Å; I816-R818 VanDerWaalsContact C-N 3.3Å; I816-R818 PolarHBondContact O-N 3.25Å; I816-I819 PolarHBondContact O-N 3.35Å; I816-I819 VanDerWaalsContact O-N 3.14Å; I816-M820 HydrophobicContact CG2-CE 3.83Å; I816-M820 HydrophobicContact CG2-SD 4.46Å; I816-M820 WeakPolarHBondContact O-CG 3.45Å; I816-M820 PolarHBondContact O-N 3.36Å; I816-L911 HydrophobicContact CG2-CD1 3.9Å; I816-L911 HydrophobicContact CG2-CD2 3.75Å; I816-L911 HydrophobicContact CG2-CG 4.41Å; I816-F998 HydrophobicContact CD1-CD1 3.99Å; I816-F998 HydrophobicContact CG2-CD1 3.82Å; I816-F998 HydrophobicContact CG2-CE1 3.83Å; I816-L1001 HydrophobicContact CD1-CB 4.09Å; I816-L1001 HydrophobicContact CD1-CD1 3.8Å; I816-F1002 HydrophobicContact CD1-CE2 4.05Å; I816-F1002 HydrophobicContact CD1-CZ 4.43Å; I816-F1002 HydrophobicContact CG1-CE2 4.23Å; I816-F1002 HydrophobicContact CG1-CZ 4.15Å |
| 817 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.2 | -42 | 173.4 | -73.4 | 168.4 | 0 | 0 | 0 | 111.3 | T813 L814 M820 E821 M833 P835 Y904 A907 F934 | T813-I817 HydrophobicContact CG2-CD1 3.96Å; T813-I817 WeakPolarHBondContact O-CG1 3.44Å; T813-I817 PolarHBondContact O-N 3.21Å; L814-I817 PolarHBondContact O-N 2.95Å; I817-M820 PolarHBondContact O-N 3.34Å; I817-E821 PolarHBondContact O-N 3.42Å; I817-M833 HydrophobicContact CG2-CB 3.65Å; I817-M833 HydrophobicContact CG2-CE 3.66Å; I817-M833 HydrophobicContact CG2-CG 4.02Å; I817-P835 HydrophobicContact CG2-CB 4.21Å; I817-Y904 HydrophobicContact CD1-CE1 4.17Å; I817-A907 HydrophobicContact CG1-CB 4.47Å; I817-F934 HydrophobicContact CD1-CE1 3.97Å; I817-F934 HydrophobicContact CD1-CE2 4.29Å; I817-F934 HydrophobicContact CD1-CZ 3.7Å |
| 818 | R | 98.4 | Very high | 96.4 | Very high | 115 Ų | 115 | 27 Ų | 27 | 43% | 0.434 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.7 | -171.7 | 179.6 | -63.1 | 177.6 | -0 | 112.1 | L814 Q815 I816 N822 P835 | L814-R818 PolarHBondContact O-N 3.46Å; Q815-R818 WeakPolarHBondContact O-CB 3.39Å; Q815-R818 PolarHBondContact O-N 2.92Å; I816-R818 VanDerWaalsContact C-N 3.3Å; I816-R818 PolarHBondContact O-N 3.25Å; R818-N822 VanDerWaalsContact O-CG 3.28Å; R818-N822 PolarHBondContact O-N 3.11Å; R818-P835 HydrophobicContact CB-CB 3.9Å; R818-P835 HydrophobicContact CB-CG 3.81Å; R818-P835 HydrophobicContact CG-CG 4.07Å; R818-P835 PolarHBondContact NH2-O 3.1Å; R818-P835 VanDerWaalsContact NH2-O 3.08Å |
| 819 | I | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 175.8 | -67.5 | 160 | 0 | 0 | 0 | 110.6 | Q630 Y631 Q815 I816 E821 N822 I823 L997 F998 L1001 | Q630-I819 HydrophobicContact CG-CG1 4.19Å; Y631-I819 HydrophobicContact CD1-CD1 4.39Å; Y631-I819 HydrophobicContact CE1-CD1 4.03Å; Y631-I819 HydrophobicContact CE1-CG1 4.45Å; Q815-I819 HydrophobicContact CG-CD1 4.16Å; Q815-I819 WeakPolarHBondContact O-CG1 3.34Å; Q815-I819 PolarHBondContact O-N 3.19Å; I816-I819 PolarHBondContact O-N 3.35Å; I816-I819 VanDerWaalsContact O-N 3.14Å; I819-E821 PolarHBondContact O-N 3.18Å; I819-N822 PolarHBondContact O-N 2.97Å; I819-I823 HydrophobicContact CG2-CD1 3.96Å; I819-I823 WeakPolarHBondContact O-CG1 3.47Å; I819-I823 PolarHBondContact O-N 3.45Å; I819-L997 HydrophobicContact CG2-CD2 3.97Å; I819-F998 HydrophobicContact CB-CE1 4.33Å; I819-F998 HydrophobicContact CG2-CE1 3.89Å; I819-F998 HydrophobicContact CG2-CZ 3.96Å; I819-L1001 HydrophobicContact CD1-CD1 3.48Å; I819-L1001 VanDerWaalsContact CD1-CD1 3.48Å |
| 820 | M | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 175.6 | -70.2 | -178 | 174.6 | 0 | 0 | 111.6 | I816 I817 N822 I823 W824 A907 I910 L911 I991 F998 | I816-M820 HydrophobicContact CG2-CE 3.83Å; I816-M820 HydrophobicContact CG2-SD 4.46Å; I816-M820 WeakPolarHBondContact O-CG 3.45Å; I816-M820 PolarHBondContact O-N 3.36Å; I817-M820 PolarHBondContact O-N 3.34Å; M820-N822 PolarHBondContact O-N 3.39Å; M820-I823 PolarHBondContact O-N 2.76Å; M820-W824 HydrophobicContact CB-CE3 4.35Å; M820-W824 HydrophobicContact CB-CH2 3.88Å; M820-W824 HydrophobicContact CB-CZ2 4.09Å; M820-W824 HydrophobicContact CB-CZ3 4.01Å; M820-W824 VanDerWaalsContact O-CD2 3.27Å; M820-W824 PolarHBondContact O-N 3.44Å; M820-W824 HydrophobicContact SD-CH2 4.29Å; M820-A907 HydrophobicContact SD-CB 3.69Å; M820-I910 HydrophobicContact CE-CB 4.43Å; M820-I910 HydrophobicContact CE-CG2 4.12Å; M820-L911 HydrophobicContact CE-CD1 4.27Å; M820-L911 HydrophobicContact CE-CD2 4.01Å; M820-L911 HydrophobicContact CE-CG 4.05Å; M820-I991 HydrophobicContact CB-CD1 3.83Å; M820-I991 HydrophobicContact CE-CG2 4.14Å; M820-I991 HydrophobicContact CG-CD1 3.68Å; M820-I991 HydrophobicContact CG-CG1 4.2Å; M820-F998 HydrophobicContact CE-CD1 4.42Å; M820-F998 HydrophobicContact CE-CE1 4.07Å; M820-F998 HydrophobicContact CE-CZ 4.39Å; M820-F998 HydrophobicContact CG-CE1 3.71Å; M820-F998 HydrophobicContact CG-CZ 3.64Å |
| 821 | E | 98.1 | Very high | 96.6 | Very high | 26 Ų | 26 | 26.5 Ų | 26.5 | 12% | 0.121 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.9 | -48 | 175.4 | -178.7 | 170.9 | -142.4 | 0 | 0 | 111.6 | I817 I819 I823 W824 Q825 M833 | I817-E821 PolarHBondContact O-N 3.42Å; I819-E821 PolarHBondContact O-N 3.18Å; E821-I823 VanDerWaalsContact C-N 3.32Å; E821-I823 PolarHBondContact O-N 2.92Å; E821-W824 PolarHBondContact O-N 3.23Å; E821-Q825 HydrophobicContact CG-CG 4.05Å; E821-Q825 WeakPolarHBondContact O-CB 3.4Å; E821-Q825 WeakPolarHBondContact O-CG 3.45Å; E821-Q825 PolarHBondContact O-N 3.1Å; E821-M833 HydrophobicContact CB-CB 4Å; E821-M833 HydrophobicContact CB-CG 3.78Å; E821-M833 HydrophobicContact CG-CB 4.25Å; E821-M833 HydrophobicContact CG-CG 4.21Å; E821-M833 PolarHBondContact OE1-N 3.35Å |
| 822 | N | 96.5 | Very high | 96.5 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 26% | 0.257 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 179.3 | -72.6 | -8.7 | 0 | 0 | 0 | 112.3 | Q630 R818 I819 M820 N826 | Q630-N822 PolarHBondContact NE2-ND2 2.87Å; R818-N822 VanDerWaalsContact O-CG 3.28Å; R818-N822 PolarHBondContact O-N 3.11Å; I819-N822 PolarHBondContact O-N 2.97Å; M820-N822 PolarHBondContact O-N 3.39Å; N822-N826 WeakPolarHBondContact O-CB 3.42Å; N822-N826 PolarHBondContact O-N 3.3Å; N822-N826 PolarHBondContact O-ND2 3.21Å; N822-N826 VanDerWaalsContact O-ND2 3.14Å |
| 823 | I | 97.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 9% | 0.087 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | 175.5 | -69.9 | 165.1 | 0 | 0 | 0 | 110.3 | I819 M820 E821 N826 Q827 I991 H994 F998 | I819-I823 HydrophobicContact CG2-CD1 3.96Å; I819-I823 WeakPolarHBondContact O-CG1 3.47Å; I819-I823 PolarHBondContact O-N 3.45Å; M820-I823 PolarHBondContact O-N 2.76Å; E821-I823 VanDerWaalsContact C-N 3.32Å; E821-I823 PolarHBondContact O-N 2.92Å; I823-N826 PolarHBondContact O-N 3.34Å; I823-Q827 WeakPolarHBondContact O-CG 3.34Å; I823-Q827 PolarHBondContact O-N 2.94Å; I823-Q827 VanDerWaalsContact O-N 3.08Å; I823-I991 HydrophobicContact CB-CD1 4.43Å; I823-I991 HydrophobicContact CD1-CD1 4.42Å; I823-I991 HydrophobicContact CG2-CD1 4.31Å; I823-H994 HydrophobicContact CD1-CB 3.87Å; I823-F998 HydrophobicContact CD1-CE2 3.84Å; I823-F998 HydrophobicContact CD1-CZ 3.69Å |
| 824 | W | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 179.2 | -65.4 | -33 | 0 | 0 | 0 | 112.3 | M820 E821 N826 Q827 G828 L829 L831 M833 G903 V906 A907 A987 I991 | M820-W824 HydrophobicContact CB-CE3 4.35Å; M820-W824 HydrophobicContact CB-CH2 3.88Å; M820-W824 HydrophobicContact CB-CZ2 4.09Å; M820-W824 HydrophobicContact CB-CZ3 4.01Å; M820-W824 VanDerWaalsContact O-CD2 3.27Å; M820-W824 PolarHBondContact O-N 3.44Å; M820-W824 HydrophobicContact SD-CH2 4.29Å; E821-W824 PolarHBondContact O-N 3.23Å; W824-N826 PolarHBondContact O-N 3.02Å; W824-Q827 CarbonylContact O-C 3.57Å; W824-Q827 PolarHBondContact O-N 3.28Å; W824-Q827 VanDerWaalsContact O-N 3.16Å; W824-G828 PolarHBondContact O-N 2.99Å; W824-L829 CarbonylContact C-O 3.38Å; W824-L829 VanDerWaalsContact C-O 3.3Å; W824-L829 HydrophobicContact CB-CB 4.08Å; W824-L829 WeakPolarHBondContact O-CA 3.41Å; W824-L829 WeakPolarHBondContact O-CB 3.44Å; W824-L829 PolarHBondContact O-N 2.85Å; W824-L831 HydrophobicContact CB-CD1 4.35Å; W824-L831 HydrophobicContact CD2-CB 4.43Å; W824-L831 HydrophobicContact CD2-CD1 3.83Å; W824-L831 HydrophobicContact CE3-CB 3.89Å; W824-L831 HydrophobicContact CE3-CD1 4Å; W824-L831 HydrophobicContact CG-CD1 3.99Å; W824-M833 HydrophobicContact CE3-CG 4.36Å; W824-M833 HydrophobicContact CZ3-CE 4.28Å; W824-M833 HydrophobicContact CZ3-CG 3.86Å; W824-M833 HydrophobicContact CZ3-SD 3.76Å; W824-G903 WeakPolarHBondContact CH2-O 3.49Å; W824-V906 HydrophobicContact CZ2-CB 4.35Å; W824-V906 HydrophobicContact CZ2-CG1 3.97Å; W824-A907 HydrophobicContact CH2-CB 4.33Å; W824-A987 HydrophobicContact CZ2-CB 4.1Å; W824-A987 PolarHBondContact NE1-O 3.1Å; W824-I991 HydrophobicContact CZ2-CD1 3.93Å; W824-I991 HydrophobicContact CZ2-CG1 3.63Å |
| 825 | Q | 94.3 | Very high | 96.5 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 178.6 | -68 | -71.9 | -19.2 | 0 | 0 | 111 | P178 H180 M278 E821 Q827 G828 D830 | P178-Q825 WeakPolarHBondContact CB-O 3.43Å; H180-Q825 PolarHBondContact CE1-O 3.35Å; H180-Q825 VanDerWaalsContact CE1-O 3.24Å; H180-Q825 PolarHBondContact NE2-OE1 3.09Å; M278-Q825 HydrophobicContact CE-CG 4.31Å; E821-Q825 HydrophobicContact CG-CG 4.05Å; E821-Q825 WeakPolarHBondContact O-CB 3.4Å; E821-Q825 WeakPolarHBondContact O-CG 3.45Å; E821-Q825 PolarHBondContact O-N 3.1Å; Q825-Q827 VanDerWaalsContact C-N 3.26Å; Q825-Q827 PolarHBondContact O-N 3.03Å; Q825-G828 PolarHBondContact O-N 3.28Å; Q825-D830 PolarHBondContact NE2-OD1 3.04Å |
| 826 | N | 91.6 | Very high | 96.4 | Very high | 120 Ų | 120 | 29 Ų | 29 | 64% | 0.642 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -66.5 | -27.6 | 178.2 | -70.6 | -22.6 | 0 | 0 | 0 | 113.1 | N822 I823 W824 G828 | N822-N826 WeakPolarHBondContact O-CB 3.42Å; N822-N826 PolarHBondContact O-N 3.3Å; N822-N826 PolarHBondContact O-ND2 3.21Å; N822-N826 VanDerWaalsContact O-ND2 3.14Å; I823-N826 PolarHBondContact O-N 3.34Å; W824-N826 PolarHBondContact O-N 3.02Å; N826-G828 VanDerWaalsContact C-N 3.28Å |
| 827 | Q | 93.2 | Very high | 96.4 | Very high | 86 Ų | 86 | 29.7 Ų | 29.7 | 40% | 0.402 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 4.6 | 172.8 | -65.9 | -172.7 | 13.7 | 0 | 0 | 113.8 | I823 W824 Q825 H994 | I823-Q827 WeakPolarHBondContact O-CG 3.34Å; I823-Q827 PolarHBondContact O-N 2.94Å; I823-Q827 VanDerWaalsContact O-N 3.08Å; W824-Q827 CarbonylContact O-C 3.57Å; W824-Q827 PolarHBondContact O-N 3.28Å; W824-Q827 VanDerWaalsContact O-N 3.16Å; Q825-Q827 VanDerWaalsContact C-N 3.26Å; Q825-Q827 PolarHBondContact O-N 3.03Å; Q827-H994 PolarHBondContact NE2-NE2 3.41Å |
| 828 | G | 92.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 30.6 Ų | 30.6 | 40% | 0.402 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 12.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | W824 Q825 N826 | W824-G828 PolarHBondContact O-N 2.99Å; Q825-G828 PolarHBondContact O-N 3.28Å; N826-G828 VanDerWaalsContact C-N 3.28Å |
| 829 | L | 94.1 | Very high | 96.4 | Very high | 34 Ų | 34 | 25.2 Ų | 25.2 | 18% | 0.178 | 14% | 0.142 | C | C | . | . | trans | -94.4 | 103.3 | 173.5 | -61.7 | 174.1 | 0 | 0 | 0 | 109.5 | W824 L831 K986 | W824-L829 CarbonylContact C-O 3.38Å; W824-L829 VanDerWaalsContact C-O 3.3Å; W824-L829 HydrophobicContact CB-CB 4.08Å; W824-L829 WeakPolarHBondContact O-CA 3.41Å; W824-L829 WeakPolarHBondContact O-CB 3.44Å; W824-L829 PolarHBondContact O-N 2.85Å; L829-L831 VanDerWaalsContact C-N 3.28Å; L829-L831 HydrophobicContact CB-CD1 4.35Å; L829-L831 HydrophobicContact CB-CG 4.24Å; L829-L831 PolarHBondContact O-N 2.61Å; L829-K986 HydrophobicContact CD1-CB 3.89Å; L829-K986 HydrophobicContact CD2-CB 4.1Å; L829-K986 HydrophobicContact CD2-CD 4.18Å | ||
| 830 | D | 95.4 | Very high | 96.4 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 8% | 0.08 | 14% | 0.142 | C | C | . | . | trans | -75.9 | 81 | 174.3 | -169.5 | 10.7 | 0 | 0 | 0 | 110.4 | Q825 R832 R899 | Q825-D830 PolarHBondContact NE2-OD1 3.04Å; D830-R832 WeakPolarHBondContact OD1-CG 3.44Å; D830-R832 IonicContact OD1-NE 2.8Å; D830-R899 WeakPolarHBondContact O-CB 3.42Å; D830-R899 WeakPolarHBondContact O-CD 3.35Å; D830-R899 WeakPolarHBondContact O-CG 3.32Å; D830-R899 PolarHBondContact O-NH1 3.39Å | ||
| 831 | L | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | trans | -109.7 | 100.3 | 173.4 | -57.3 | 178.2 | 0 | 0 | 0 | 107.7 | W824 L829 M833 R899 A902 M983 A987 | W824-L831 HydrophobicContact CB-CD1 4.35Å; W824-L831 HydrophobicContact CD2-CB 4.43Å; W824-L831 HydrophobicContact CD2-CD1 3.83Å; W824-L831 HydrophobicContact CE3-CB 3.89Å; W824-L831 HydrophobicContact CE3-CD1 4Å; W824-L831 HydrophobicContact CG-CD1 3.99Å; L829-L831 VanDerWaalsContact C-N 3.28Å; L829-L831 HydrophobicContact CB-CD1 4.35Å; L829-L831 HydrophobicContact CB-CG 4.24Å; L829-L831 PolarHBondContact O-N 2.61Å; L831-M833 PolarHBondContact O-N 2.98Å; L831-R899 HydrophobicContact CD2-CB 4.39Å; L831-R899 WeakPolarHBondContact CD2-O 3.38Å; L831-A902 HydrophobicContact CD2-CB 4.23Å; L831-M983 HydrophobicContact CD2-CB 4.26Å; L831-M983 HydrophobicContact CD2-CG 4.49Å; L831-M983 HydrophobicContact CD2-SD 4.25Å; L831-A987 HydrophobicContact CD1-CB 3.47Å; L831-A987 VanDerWaalsContact CD1-CB 3.47Å | ||
| 832 | R | 94.9 | Very high | 96.2 | Very high | 35 Ų | 35 | 25.1 Ų | 25.1 | 13% | 0.132 | 15% | 0.145 | C | C | . | . | trans | -81.1 | 111.7 | -174 | -64.2 | -159.7 | -162 | 170 | -5.9 | 111.1 | M278 D830 L896 S900 | M278-R832 PolarHBondContact O-NH2 2.84Å; D830-R832 WeakPolarHBondContact OD1-CG 3.44Å; D830-R832 IonicContact OD1-NE 2.8Å; R832-L896 HydrophobicContact CB-CD1 4.02Å; R832-L896 HydrophobicContact CG-CD1 4.03Å; R832-S900 WeakPolarHBondContact O-CA 3.42Å; R832-S900 WeakPolarHBondContact O-CB 3.29Å | ||
| 833 | M | 97.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | trans | -91.6 | 169.1 | 170.7 | -54.2 | -56.1 | -78.4 | 0 | 0 | 109.3 | I817 E821 W824 L831 Y904 A907 Q928 | I817-M833 HydrophobicContact CG2-CB 3.65Å; I817-M833 HydrophobicContact CG2-CE 3.66Å; I817-M833 HydrophobicContact CG2-CG 4.02Å; E821-M833 HydrophobicContact CB-CB 4Å; E821-M833 HydrophobicContact CB-CG 3.78Å; E821-M833 HydrophobicContact CG-CB 4.25Å; E821-M833 HydrophobicContact CG-CG 4.21Å; E821-M833 PolarHBondContact OE1-N 3.35Å; W824-M833 HydrophobicContact CE3-CG 4.36Å; W824-M833 HydrophobicContact CZ3-CE 4.28Å; W824-M833 HydrophobicContact CZ3-CG 3.86Å; W824-M833 HydrophobicContact CZ3-SD 3.76Å; L831-M833 PolarHBondContact O-N 2.98Å; M833-Y904 HydrophobicContact CE-CD1 3.68Å; M833-Y904 HydrophobicContact CE-CD2 3.65Å; M833-Y904 HydrophobicContact CE-CE1 3.74Å; M833-Y904 HydrophobicContact CE-CE2 3.68Å; M833-Y904 HydrophobicContact CE-CG 3.64Å; M833-Y904 HydrophobicContact SD-CD2 3.9Å; M833-Y904 HydrophobicContact SD-CE2 3.92Å; M833-Y904 HydrophobicContact SD-CG 4.39Å; M833-A907 HydrophobicContact CE-CB 4.07Å; M833-Q928 PolarHBondContact O-NE2 2.85Å; M833-Q928 VanDerWaalsContact O-NE2 3.15Å | ||
| 834 | L | 97.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 28.9 Ų | 28.9 | 13% | 0.131 | 17% | 0.169 | C | C | . | . | trans | -132.8 | 76.3 | 172.8 | -155.8 | 165.5 | 0 | 0 | 0 | 109.2 | Y836 V851 Y904 K924 F930 | L834-Y836 HydrophobicContact CD2-CD1 4.25Å; L834-Y836 WeakPolarHBondContact O-CD1 3.38Å; L834-Y836 PolarHBondContact O-N 3.26Å; L834-V851 HydrophobicContact CD1-CG1 3.67Å; L834-V851 HydrophobicContact CD1-CG2 4.34Å; L834-V851 HydrophobicContact CD2-CG1 4.34Å; L834-V851 HydrophobicContact CD2-CG2 3.52Å; L834-Y904 PolarHBondContact N-OH 2.89Å; L834-Y904 PolarHBondContact O-OH 3.03Å; L834-K924 HydrophobicContact CD1-CD 3.59Å; L834-F930 HydrophobicContact CB-CB 3.75Å; L834-F930 HydrophobicContact CB-CD2 4.5Å; L834-F930 HydrophobicContact CB-CG 4.08Å; L834-F930 HydrophobicContact CD1-CD1 3.95Å; L834-F930 HydrophobicContact CD1-CE1 4.26Å; L834-F930 HydrophobicContact CD1-CG 4.09Å | ||
| 835 | P | 97.1 | Very high | 95.8 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 13% | 0.13 | 17% | 0.171 | C | C | . | . | trans | -78.6 | 73.6 | 175.7 | 33.4 | -34.8 | 0 | 0 | 0 | 110.4 | L814 I817 R818 | L814-P835 HydrophobicContact CD2-CB 4.38Å; L814-P835 WeakPolarHBondContact O-CB 3.34Å; I817-P835 HydrophobicContact CG2-CB 4.21Å; R818-P835 HydrophobicContact CB-CB 3.9Å; R818-P835 HydrophobicContact CB-CG 3.81Å; R818-P835 HydrophobicContact CG-CG 4.07Å; R818-P835 PolarHBondContact NH2-O 3.1Å; R818-P835 VanDerWaalsContact NH2-O 3.08Å | ||
| 836 | Y | 97.8 | Very high | 96 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | trans | -54.5 | 152.1 | 178.3 | 56.6 | -93.1 | 0 | 0 | 0 | 111.8 | L814 L834 C838 I848 V851 F930 H931 I932 F934 | L814-Y836 HydrophobicContact CD1-CD2 4.01Å; L814-Y836 HydrophobicContact CD1-CE2 3.71Å; L814-Y836 WeakPolarHBondContact CD1-O 3.46Å; L814-Y836 HydrophobicContact CD2-CD1 3.9Å; L814-Y836 HydrophobicContact CD2-CD2 4.33Å; L814-Y836 HydrophobicContact CD2-CE1 3.75Å; L814-Y836 HydrophobicContact CD2-CE2 4.21Å; L814-Y836 HydrophobicContact CD2-CG 4.17Å; L834-Y836 HydrophobicContact CD2-CD1 4.25Å; L834-Y836 WeakPolarHBondContact O-CD1 3.38Å; L834-Y836 PolarHBondContact O-N 3.26Å; Y836-C838 PolarHBondContact O-N 2.77Å; Y836-I848 HydrophobicContact CD2-CG2 3.71Å; Y836-I848 HydrophobicContact CE2-CG2 3.55Å; Y836-V851 HydrophobicContact CG-CG2 4.48Å; Y836-F930 HydrophobicContact CD1-CD2 4.43Å; Y836-H931 WeakPolarHBondContact CE1-O 3.21Å; Y836-I932 HydrophobicContact CE1-CB 4.48Å; Y836-I932 HydrophobicContact CE1-CG2 3.8Å; Y836-I932 WeakPolarHBondContact OH-CA 3.41Å; Y836-F934 HydrophobicContact CE1-CE2 4.01Å; Y836-F934 WeakPolarHBondContact OH-CE2 3.37Å | ||
| 837 | G | 97.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 13% | 0.134 | 14% | 0.139 | C | C | . | . | trans | -60.3 | 129.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I848 E849 | G837-I848 CarbonylContact O-C 3.52Å; G837-I848 WeakPolarHBondContact O-CA 3.43Å; G837-E849 PolarHBondContact N-OE2 3.37Å; G837-E849 WeakPolarHBondContact O-CB 3.46Å; G837-E849 PolarHBondContact O-N 3.01Å | ||
| 838 | C | 98.4 | Very high | 96.6 | Very high | 19 Ų | 19 | 20.3 Ų | 20.3 | 13% | 0.128 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 134 | 170.7 | -175.3 | 0 | 0 | 0 | 0 | 108 | M811 L814 Y836 L847 | M811-C838 HydrophobicContact CG-CB 4.24Å; M811-C838 WeakPolarHBondContact CG-O 3.38Å; L814-C838 HydrophobicContact CD1-CB 3.33Å; Y836-C838 PolarHBondContact O-N 2.77Å; C838-L847 CarbonylContact C-O 3.46Å; C838-L847 WeakPolarHBondContact CA-O 3.44Å |
| 839 | L | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 117.6 | -179.8 | -178.5 | 66 | 0 | 0 | 0 | 110.3 | W669 P754 L755 M811 I841 G846 L847 | W669-L839 HydrophobicContact CB-CD1 4.16Å; W669-L839 HydrophobicContact CB-CD2 4.09Å; W669-L839 HydrophobicContact CD2-CD2 4.39Å; W669-L839 HydrophobicContact CG-CD2 3.97Å; P754-L839 HydrophobicContact CB-CD2 3.94Å; P754-L839 WeakPolarHBondContact O-CD2 3.24Å; L755-L839 HydrophobicContact CD2-CB 3.74Å; M811-L839 HydrophobicContact CE-CD1 3.95Å; L839-I841 HydrophobicContact CD2-CG2 4.09Å; L839-I841 HydrophobicContact CG-CG2 4.04Å; L839-G846 CarbonylContact O-C 3.49Å; L839-G846 WeakPolarHBondContact O-CA 3.37Å; L839-L847 PolarHBondContact N-O 3.44Å; L839-L847 PolarHBondContact O-N 3.34Å |
| 840 | S | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 132.4 | 163.2 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | S673 M811 G842 | S673-S840 WeakPolarHBondContact CB-O 3.27Å; M811-S840 VanDerWaalsContact SD-CB 3.58Å; M811-S840 PolarHBondContact SD-N 2.96Å; S840-G842 PolarHBondContact OG-O 3.48Å |
| 841 | I | 97.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 22 Ų | 22 | 5% | 0.051 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -3.8 | -178.1 | 67.2 | -175 | 0 | 0 | 0 | 112.3 | W669 M709 F801 L839 V845 | W669-I841 HydrophobicContact CD2-CG2 4.39Å; W669-I841 HydrophobicContact CE3-CB 3.81Å; W669-I841 HydrophobicContact CE3-CG2 3.76Å; W669-I841 HydrophobicContact CZ3-CB 3.63Å; W669-I841 HydrophobicContact CZ3-CG2 3.85Å; M709-I841 HydrophobicContact CB-CD1 3.93Å; M709-I841 HydrophobicContact CG-CD1 3.7Å; M709-I841 HydrophobicContact SD-CD1 3.5Å; M709-I841 VanDerWaalsContact SD-CD1 3.5Å; F801-I841 HydrophobicContact CE2-CD1 3.98Å; L839-I841 HydrophobicContact CD2-CG2 4.09Å; L839-I841 HydrophobicContact CG-CG2 4.04Å; I841-V845 HydrophobicContact CD1-CG2 4.1Å; I841-V845 HydrophobicContact CG1-CB 4.47Å; I841-V845 HydrophobicContact CG1-CG1 3.87Å; I841-V845 HydrophobicContact CG1-CG2 4.13Å; I841-V845 PolarHBondContact N-O 3.19Å |
| 842 | G | 94.9 | Very high | 96.9 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 14% | 0.144 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 180 | -166.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S673 S840 C844 | S673-G842 CarbonylContact O-C 3.59Å; S673-G842 WeakPolarHBondContact O-CA 3.5Å; S840-G842 PolarHBondContact OG-O 3.48Å; G842-C844 PolarHBondContact O-N 2.83Å |
| 843 | D | 94.1 | Very high | 96.9 | Very high | 99 Ų | 99 | 30.1 Ų | 30.1 | 53% | 0.529 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 114.4 | 175.6 | -170.4 | 2.4 | 0 | 0 | 0 | 111 | H676 V845 | H676-D843 HydrophobicContact CB-CB 4.18Å; H676-D843 IonicContact CD2-OD2 2.68Å; H676-D843 IonicContact NE2-OD1 3.66Å; D843-V845 PolarHBondContact O-N 3.05Å |
| 844 | C | 94.4 | Very high | 96.8 | Very high | 45 Ų | 45 | 30.9 Ų | 30.9 | 30% | 0.304 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 32.4 | 179 | -60.2 | 0 | 0 | 0 | 0 | 114.2 | G804 D805 G842 | G804-C844 WeakPolarHBondContact CA-O 3.34Å; G804-C844 PolarHBondContact N-O 3.11Å; D805-C844 PolarHBondContact N-O 3.04Å; D805-C844 CarbonylContact O-C 3.5Å; D805-C844 VanDerWaalsContact O-CA 3.31Å; D805-C844 WeakPolarHBondContact O-CA 3.27Å; G842-C844 PolarHBondContact O-N 2.83Å |
| 845 | V | 95.5 | Very high | 96.7 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141.3 | -179.9 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | I713 F801 K802 N803 I841 D843 | I713-V845 HydrophobicContact CD1-CG1 4.43Å; I713-V845 HydrophobicContact CG1-CG2 4.08Å; F801-V845 HydrophobicContact CE1-CG2 4.24Å; F801-V845 HydrophobicContact CE2-CG2 3.79Å; F801-V845 HydrophobicContact CZ-CG2 3.46Å; F801-V845 VanDerWaalsContact CZ-CG2 3.46Å; K802-V845 WeakPolarHBondContact O-CA 3.45Å; N803-V845 HydrophobicContact CB-CG2 4.25Å; I841-V845 HydrophobicContact CD1-CG2 4.1Å; I841-V845 HydrophobicContact CG1-CB 4.47Å; I841-V845 HydrophobicContact CG1-CG1 3.87Å; I841-V845 HydrophobicContact CG1-CG2 4.13Å; I841-V845 PolarHBondContact N-O 3.19Å; D843-V845 PolarHBondContact O-N 3.05Å |
| 846 | G | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | -170.4 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | K802 L839 | K802-G846 PolarHBondContact N-O 3.28Å; K802-G846 PolarHBondContact O-N 2.9Å; L839-G846 CarbonylContact O-C 3.49Å; L839-G846 WeakPolarHBondContact O-CA 3.37Å |
| 847 | L | 98.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.3 | -172.6 | -58.8 | 175.2 | 0 | 0 | 0 | 110.3 | M709 P754 L755 I799 I800 F801 C838 L839 | M709-L847 HydrophobicContact SD-CD1 3.96Å; M709-L847 HydrophobicContact SD-CD2 3.92Å; M709-L847 HydrophobicContact SD-CG 4.22Å; P754-L847 HydrophobicContact CB-CD1 3.72Å; P754-L847 HydrophobicContact CG-CD1 3.78Å; L755-L847 HydrophobicContact CD1-CB 4.03Å; L755-L847 HydrophobicContact CD2-CB 4Å; L755-L847 HydrophobicContact CG-CB 3.89Å; L755-L847 HydrophobicContact CG-CD1 4.38Å; I799-L847 HydrophobicContact CG2-CB 3.97Å; I799-L847 HydrophobicContact CG2-CD2 3.97Å; I799-L847 HydrophobicContact CG2-CG 4.45Å; I800-L847 CarbonylContact O-C 3.53Å; I800-L847 WeakPolarHBondContact O-CA 3.3Å; F801-L847 HydrophobicContact CB-CD2 4.18Å; F801-L847 HydrophobicContact CD2-CD2 3.73Å; F801-L847 HydrophobicContact CG-CD2 4.43Å; C838-L847 CarbonylContact C-O 3.46Å; C838-L847 WeakPolarHBondContact CA-O 3.44Å; L839-L847 PolarHBondContact N-O 3.44Å; L839-L847 PolarHBondContact O-N 3.34Å |
| 848 | I | 98.5 | Very high | 95.7 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 12% | 0.118 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 128 | 176.4 | -55.9 | 172.2 | 0 | 0 | 0 | 108.6 | I800 K802 L807 Y836 G837 | I800-I848 HydrophobicContact CB-CB 4.23Å; I800-I848 PolarHBondContact N-O 3.32Å; I800-I848 PolarHBondContact O-N 2.95Å; K802-I848 HydrophobicContact CD-CD1 4.15Å; L807-I848 HydrophobicContact CD1-CD1 4.28Å; L807-I848 HydrophobicContact CD1-CG1 3.99Å; L807-I848 HydrophobicContact CD2-CD1 4.25Å; Y836-I848 HydrophobicContact CD2-CG2 3.71Å; Y836-I848 HydrophobicContact CE2-CG2 3.55Å; G837-I848 CarbonylContact O-C 3.52Å; G837-I848 WeakPolarHBondContact O-CA 3.43Å |
| 849 | E | 98.3 | Very high | 95.2 | Very high | 88 Ų | 88 | 34.7 Ų | 34.7 | 41% | 0.411 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 132 | 175.4 | -178.1 | -174.6 | -179.5 | 0 | 0 | 110.7 | L755 G837 | L755-E849 HydrophobicContact CD1-CB 4.14Å; G837-E849 PolarHBondContact N-OE2 3.37Å; G837-E849 WeakPolarHBondContact O-CB 3.46Å; G837-E849 PolarHBondContact O-N 3.01Å |
| 850 | V | 97.6 | Very high | 94.8 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | trans | -81.8 | 123.3 | 172.1 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | W780 E798 I800 R852 | W780-V850 HydrophobicContact CD2-CG2 4.3Å; W780-V850 HydrophobicContact CE3-CG2 4.18Å; W780-V850 HydrophobicContact CH2-CB 4.27Å; W780-V850 HydrophobicContact CH2-CG1 3.28Å; W780-V850 HydrophobicContact CH2-CG2 3.92Å; W780-V850 HydrophobicContact CZ2-CB 4.36Å; W780-V850 HydrophobicContact CZ2-CG1 3.47Å; W780-V850 VanDerWaalsContact CZ2-CG1 3.47Å; W780-V850 HydrophobicContact CZ2-CG2 4.03Å; W780-V850 HydrophobicContact CZ3-CG1 4.09Å; W780-V850 HydrophobicContact CZ3-CG2 3.99Å; E798-V850 HydrophobicContact CB-CB 3.61Å; E798-V850 HydrophobicContact CB-CG1 3.95Å; E798-V850 HydrophobicContact CB-CG2 3.86Å; E798-V850 WeakPolarHBondContact O-CB 3.49Å; E798-V850 PolarHBondContact O-N 3.41Å; E798-V850 VanDerWaalsContact O-N 3.17Å; I800-V850 HydrophobicContact CD1-CG2 4.06Å; I800-V850 HydrophobicContact CG1-CG2 3.74Å; V850-R852 PolarHBondContact O-N 2.98Å | ||
| 851 | V | 96.9 | Very high | 94.2 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | trans | -82 | 105.7 | 170.9 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | L834 Y836 S854 K924 F930 | L834-V851 HydrophobicContact CD1-CG1 3.67Å; L834-V851 HydrophobicContact CD1-CG2 4.34Å; L834-V851 HydrophobicContact CD2-CG1 4.34Å; L834-V851 HydrophobicContact CD2-CG2 3.52Å; Y836-V851 HydrophobicContact CG-CG2 4.48Å; V851-S854 WeakPolarHBondContact O-CB 3.31Å; V851-S854 PolarHBondContact O-OG 2.85Å; V851-K924 HydrophobicContact CG1-CD 3.83Å; V851-K924 HydrophobicContact CG1-CG 4.16Å; V851-F930 HydrophobicContact CB-CE2 4.17Å; V851-F930 HydrophobicContact CB-CZ 3.76Å; V851-F930 HydrophobicContact CG1-CE1 4.07Å; V851-F930 HydrophobicContact CG1-CE2 4.46Å; V851-F930 HydrophobicContact CG1-CZ 3.79Å; V851-F930 HydrophobicContact CG2-CE2 3.89Å; V851-F930 HydrophobicContact CG2-CZ 4Å | ||
| 852 | R | 93.5 | Very high | 93.6 | Very high | 96 Ų | 96 | 37.7 Ų | 37.7 | 36% | 0.362 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 152.4 | -179.2 | -59.5 | -179.4 | 69.4 | 174.8 | -3.5 | 112.3 | N796 V850 S854 | N796-R852 PolarHBondContact O-NH1 3.18Å; N796-R852 VanDerWaalsContact O-NH1 3.08Å; V850-R852 PolarHBondContact O-N 2.98Å; R852-S854 PolarHBondContact O-N 2.91Å |
| 853 | N | 94.5 | Very high | 92.9 | Very high | 112 Ų | 112 | 43.8 Ų | 43.8 | 60% | 0.599 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 38 | 178.9 | -51.3 | -39.9 | 0 | 0 | 0 | 113.3 | K924 D925 | N853-K924 WeakPolarHBondContact O-CA 3.25Å; N853-D925 HydrophobicContact CB-CB 4.49Å; N853-D925 PolarHBondContact O-N 2.85Å |
| 854 | S | 96.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 148.3 | 176.9 | 70.7 | 0 | 0 | 0 | 0 | 110.8 | V851 R852 M922 V923 | V851-S854 WeakPolarHBondContact O-CB 3.31Å; V851-S854 PolarHBondContact O-OG 2.85Å; R852-S854 PolarHBondContact O-N 2.91Å; S854-M922 WeakPolarHBondContact OG-CE 3.28Å; S854-V923 WeakPolarHBondContact CA-O 3.46Å |
| 855 | H | 94.6 | Very high | 90.2 | Very high | 39 Ų | 39 | 41 Ų | 41 | 18% | 0.181 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.9 | 179.7 | -58.1 | 86.1 | 0 | 0 | 0 | 109.5 | Q859 I860 W880 M922 V923 D925 | H855-Q859 HydrophobicContact CB-CB 4.42Å; H855-I860 HydrophobicContact CB-CD1 4.14Å; H855-I860 HydrophobicContact CB-CG1 3.84Å; H855-W880 AromaticContact ND1-CZ2 3.62Å; H855-M922 CarbonylContact O-C 3.48Å; H855-M922 VanDerWaalsContact O-CA 3.26Å; H855-M922 WeakPolarHBondContact O-CA 3.18Å; H855-V923 PolarHBondContact N-O 2.95Å; H855-V923 PolarHBondContact O-N 3.27Å; H855-D925 IonicContact CE1-OD1 2.9Å; H855-D925 IonicContact ND1-OD1 2.68Å |
| 856 | T | 93.4 | Very high | 88.5 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 150.8 | 167.9 | 60.8 | 0 | 0 | 0 | 0 | 110.1 | M858 Q859 I860 N918 S919 I921 M922 | T856-M858 PolarHBondContact O-N 3.22Å; T856-Q859 PolarHBondContact O-N 2.72Å; T856-Q859 VanDerWaalsContact O-N 3.07Å; T856-Q859 WeakPolarHBondContact OG1-CB 3.32Å; T856-Q859 VanDerWaalsContact OG1-CD 3.29Å; T856-Q859 WeakPolarHBondContact OG1-CG 3.42Å; T856-Q859 PolarHBondContact OG1-N 3.15Å; T856-Q859 VanDerWaalsContact OG1-N 3.16Å; T856-Q859 PolarHBondContact OG1-OE1 2.84Å; T856-I860 PolarHBondContact O-N 2.79Å; T856-I860 VanDerWaalsContact O-N 3.15Å; T856-N918 WeakPolarHBondContact CB-O 3.18Å; T856-S919 WeakPolarHBondContact CG2-O 3.13Å; T856-I921 VanDerWaalsContact CA-O 3.32Å; T856-I921 WeakPolarHBondContact CA-O 3.19Å; T856-M922 HydrophobicContact CG2-CE 4.3Å; T856-M922 HydrophobicContact CG2-CG 3.9Å; T856-M922 HydrophobicContact CG2-SD 4.42Å |
| 857 | I | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.9 | -38 | 173.9 | -58.1 | -57.6 | 0 | 0 | 0 | 110.6 | Q859 I860 Q861 L877 N918 I921 V923 F960 | I857-Q859 PolarHBondContact O-N 2.81Å; I857-I860 PolarHBondContact O-N 2.99Å; I857-Q861 HydrophobicContact CG2-CG 4.26Å; I857-Q861 WeakPolarHBondContact O-CG 3.49Å; I857-Q861 PolarHBondContact O-N 2.8Å; I857-L877 HydrophobicContact CD1-CD1 3.8Å; I857-L877 HydrophobicContact CD1-CD2 3.88Å; I857-L877 HydrophobicContact CD1-CG 4.47Å; I857-N918 HydrophobicContact CB-CB 3.87Å; I857-N918 HydrophobicContact CG2-CB 3.95Å; I857-N918 PolarHBondContact N-O 3.3Å; I857-N918 VanDerWaalsContact N-O 3.11Å; I857-I921 HydrophobicContact CD1-CG2 4.4Å; I857-I921 HydrophobicContact CG1-CB 4.01Å; I857-I921 HydrophobicContact CG1-CG2 3.9Å; I857-I921 PolarHBondContact N-O 2.76Å; I857-V923 HydrophobicContact CD1-CG2 3.47Å; I857-V923 VanDerWaalsContact CD1-CG2 3.47Å; I857-F960 HydrophobicContact CD1-CE1 3.94Å; I857-F960 HydrophobicContact CG1-CE1 4.06Å; I857-F960 HydrophobicContact CG1-CZ 4.31Å |
| 858 | M | 87.5 | Confident | 84.5 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 176.3 | -176.2 | 62.1 | 77.6 | 0 | 0 | 111.7 | T856 I860 Q861 C862 F872 N918 T1061 | T856-M858 PolarHBondContact O-N 3.22Å; M858-I860 VanDerWaalsContact C-N 3.27Å; M858-I860 PolarHBondContact O-N 2.93Å; M858-Q861 PolarHBondContact O-N 3.34Å; M858-C862 WeakPolarHBondContact O-CB 3.17Å; M858-C862 PolarHBondContact O-N 2.84Å; M858-C862 PolarHBondContact O-SG 2.81Å; M858-F872 HydrophobicContact SD-CE2 4.16Å; M858-F872 HydrophobicContact SD-CZ 4.18Å; M858-N918 HydrophobicContact CB-CB 4.14Å; M858-N918 HydrophobicContact CE-CB 4.35Å; M858-N918 PolarHBondContact N-O 3.02Å; M858-T1061 VanDerWaalsContact CE-OG1 3.29Å; M858-T1061 WeakPolarHBondContact CE-OG1 3.2Å |
| 859 | Q | 89.4 | Confident | 82.1 | Confident | 93 Ų | 93 | 59 Ų | 59 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -36.8 | 177.6 | -75.8 | 165.1 | -40 | 0 | 0 | 112.4 | H855 T856 I857 K863 | H855-Q859 HydrophobicContact CB-CB 4.42Å; T856-Q859 PolarHBondContact O-N 2.72Å; T856-Q859 VanDerWaalsContact O-N 3.07Å; T856-Q859 WeakPolarHBondContact OG1-CB 3.32Å; T856-Q859 VanDerWaalsContact OG1-CD 3.29Å; T856-Q859 WeakPolarHBondContact OG1-CG 3.42Å; T856-Q859 PolarHBondContact OG1-N 3.15Å; T856-Q859 VanDerWaalsContact OG1-N 3.16Å; T856-Q859 PolarHBondContact OG1-OE1 2.84Å; I857-Q859 PolarHBondContact O-N 2.81Å; Q859-K863 WeakPolarHBondContact O-CG 3.49Å; Q859-K863 PolarHBondContact O-N 3.37Å |
| 860 | I | 89.8 | Confident | 80.3 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68 | -46.9 | 177.4 | -63.6 | 168 | 0 | 0 | 0 | 110.3 | H855 T856 I857 M858 C862 K863 G864 L877 W880 V923 | H855-I860 HydrophobicContact CB-CD1 4.14Å; H855-I860 HydrophobicContact CB-CG1 3.84Å; T856-I860 PolarHBondContact O-N 2.79Å; T856-I860 VanDerWaalsContact O-N 3.15Å; I857-I860 PolarHBondContact O-N 2.99Å; M858-I860 VanDerWaalsContact C-N 3.27Å; M858-I860 PolarHBondContact O-N 2.93Å; I860-C862 PolarHBondContact O-N 2.75Å; I860-K863 PolarHBondContact O-N 3.23Å; I860-G864 PolarHBondContact O-N 2.96Å; I860-G864 VanDerWaalsContact O-N 3.15Å; I860-L877 HydrophobicContact CD1-CD1 3.72Å; I860-L877 HydrophobicContact CG2-CD1 4.25Å; I860-W880 HydrophobicContact CD1-CD2 3.99Å; I860-W880 HydrophobicContact CD1-CE3 3.79Å; I860-W880 HydrophobicContact CD1-CH2 4.21Å; I860-W880 HydrophobicContact CD1-CZ2 4.39Å; I860-W880 HydrophobicContact CD1-CZ3 3.91Å; I860-W880 HydrophobicContact CG1-CD2 4.08Å; I860-W880 HydrophobicContact CG1-CE3 4.4Å; I860-W880 HydrophobicContact CG1-CG 4.4Å; I860-W880 HydrophobicContact CG2-CB 3.56Å; I860-W880 HydrophobicContact CG2-CD2 4.01Å; I860-W880 HydrophobicContact CG2-CE3 4.47Å; I860-W880 HydrophobicContact CG2-CG 3.58Å; I860-V923 HydrophobicContact CD1-CB 4.29Å |
| 861 | Q | 85.6 | Confident | 78.7 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.019 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 178.6 | -73.6 | 175.1 | -22.5 | 0 | 0 | 112.4 | I857 M858 K863 G864 G865 F872 N918 D959 | I857-Q861 HydrophobicContact CG2-CG 4.26Å; I857-Q861 WeakPolarHBondContact O-CG 3.49Å; I857-Q861 PolarHBondContact O-N 2.8Å; M858-Q861 PolarHBondContact O-N 3.34Å; Q861-K863 VanDerWaalsContact C-N 3.27Å; Q861-K863 PolarHBondContact O-N 3.05Å; Q861-G864 PolarHBondContact O-N 3Å; Q861-G864 VanDerWaalsContact O-N 3.08Å; Q861-G865 PolarHBondContact O-N 3.16Å; Q861-F872 HydrophobicContact CB-CB 4.29Å; Q861-F872 HydrophobicContact CB-CD1 3.84Å; Q861-F872 HydrophobicContact CB-CE1 4.33Å; Q861-F872 HydrophobicContact CB-CG 4.04Å; Q861-F872 HydrophobicContact CG-CB 4.39Å; Q861-N918 PolarHBondContact NE2-ND2 2.93Å; Q861-N918 PolarHBondContact OE1-ND2 2.89Å; Q861-D959 PolarHBondContact NE2-OD1 2.96Å |
| 862 | C | 82.8 | Confident | 77.3 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 47% | 0.473 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.8 | -34.5 | 175 | -71.4 | 0 | 0 | 0 | 0 | 112.6 | M858 I860 | M858-C862 WeakPolarHBondContact O-CB 3.17Å; M858-C862 PolarHBondContact O-N 2.84Å; M858-C862 PolarHBondContact O-SG 2.81Å; I860-C862 PolarHBondContact O-N 2.75Å |
| 863 | K | 80.8 | Confident | 76.5 | Confident | 143 Ų | 143 | 64.6 Ų | 64.6 | 62% | 0.622 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -72.1 | -30.3 | 174.1 | -71 | 175.2 | -177.7 | 179 | 0 | 112.7 | Q859 I860 Q861 | Q859-K863 WeakPolarHBondContact O-CG 3.49Å; Q859-K863 PolarHBondContact O-N 3.37Å; I860-K863 PolarHBondContact O-N 3.23Å; Q861-K863 VanDerWaalsContact C-N 3.27Å; Q861-K863 PolarHBondContact O-N 3.05Å |
| 864 | G | 68.6 | Low | 75.8 | Confident | 49 Ų | 49 | 60 Ų | 60 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -80.7 | -11.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I860 Q861 | I860-G864 PolarHBondContact O-N 2.96Å; I860-G864 VanDerWaalsContact O-N 3.15Å; Q861-G864 PolarHBondContact O-N 3Å; Q861-G864 VanDerWaalsContact O-N 3.08Å |
| 865 | G | 63.3 | Low | 75.4 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | trans | 82.2 | 162.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q861 | Q861-G865 PolarHBondContact O-N 3.16Š| ||
| 866 | L | 60.8 | Low | 75.1 | Confident | 101 Ų | 101 | 61.3 Ų | 61.3 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 148 | 176.3 | -70.2 | 160.8 | 0 | 0 | 0 | 111.1 | L870 F872 | L866-L870 HydrophobicContact CD1-CD2 4.26Å; L866-F872 HydrophobicContact CD2-CD1 3.93Å; L866-F872 HydrophobicContact CD2-CE1 3.93Å; L866-F872 HydrophobicContact CD2-CG 4.37Å; L866-F872 HydrophobicContact CD2-CZ 4.37Å |
| 867 | K | 54.7 | Low | 75.1 | Confident | 137 Ų | 137 | 60.4 Ų | 60.4 | 60% | 0.596 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.2 | 172 | -141.1 | -175.9 | -175.2 | -175.6 | 0 | 109 | Q871 N873 | K867-Q871 PolarHBondContact N-O 3.39Å; K867-Q871 VanDerWaalsContact O-O 3.09Å; K867-N873 HydrophobicContact CB-CB 4.32Å; K867-N873 HydrophobicContact CD-CB 4.39Å |
| 868 | G | 57.2 | Low | 75.3 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 76% | 0.763 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | -144.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L870 | G868-L870 PolarHBondContact O-N 3.37Š|
| 869 | A | 48.8 | Very low | 75.6 | Confident | 102 Ų | 102 | 64.6 Ų | 64.6 | 84% | 0.843 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 68.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q871 | A869-Q871 VanDerWaalsContact C-N 3.35Å; A869-Q871 PolarHBondContact O-N 3.06Å |
| 870 | L | 59.6 | Low | 75.8 | Confident | 137 Ų | 137 | 61.6 Ų | 61.6 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 25.8 | 172.9 | -58.6 | 163.1 | 0 | 0 | 0 | 115.4 | L866 G868 | L866-L870 HydrophobicContact CD1-CD2 4.26Å; G868-L870 PolarHBondContact O-N 3.37Å |
| 871 | Q | 63.5 | Low | 76.1 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.7 | 176.7 | -162.3 | 174.4 | 18.7 | 0 | 0 | 111.5 | K867 A869 | K867-Q871 PolarHBondContact N-O 3.39Å; K867-Q871 VanDerWaalsContact O-O 3.09Å; A869-Q871 VanDerWaalsContact C-N 3.35Å; A869-Q871 PolarHBondContact O-N 3.06Å |
| 872 | F | 67.5 | Low | 76.5 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 141.6 | 172.7 | -68.6 | -69 | 0 | 0 | 0 | 111.1 | M858 Q861 L866 S874 T1061 | M858-F872 HydrophobicContact SD-CE2 4.16Å; M858-F872 HydrophobicContact SD-CZ 4.18Å; Q861-F872 HydrophobicContact CB-CB 4.29Å; Q861-F872 HydrophobicContact CB-CD1 3.84Å; Q861-F872 HydrophobicContact CB-CE1 4.33Å; Q861-F872 HydrophobicContact CB-CG 4.04Å; Q861-F872 HydrophobicContact CG-CB 4.39Å; L866-F872 HydrophobicContact CD2-CD1 3.93Å; L866-F872 HydrophobicContact CD2-CE1 3.93Å; L866-F872 HydrophobicContact CD2-CG 4.37Å; L866-F872 HydrophobicContact CD2-CZ 4.37Å; F872-S874 PolarHBondContact O-N 3.15Å; F872-T1061 HydrophobicContact CE2-CG2 4.41Å; F872-T1061 HydrophobicContact CZ-CG2 4.44Å |
| 873 | N | 76.7 | Confident | 77.1 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 24% | 0.235 | 38% | 0.38 | C | S | . | . | trans | -69.4 | 113 | 176.8 | 179.5 | 9.8 | 0 | 0 | 0 | 110.5 | K867 H875 A876 | K867-N873 HydrophobicContact CB-CB 4.32Å; K867-N873 HydrophobicContact CD-CB 4.39Å; N873-H875 PolarHBondContact O-N 3.24Å; N873-H875 PolarHBondContact OD1-N 2.93Å; N873-H875 VanDerWaalsContact OD1-N 3.08Å; N873-A876 HydrophobicContact CB-CB 4.46Å; N873-A876 WeakPolarHBondContact O-CB 3.32Å; N873-A876 PolarHBondContact O-N 2.91Å | ||
| 874 | S | 79.9 | Confident | 77.8 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 11% | 0.112 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -9.7 | 178.4 | -73.9 | 0 | 0 | 0 | 0 | 114.7 | F872 D959 I962 K1054 | F872-S874 PolarHBondContact O-N 3.15Å; S874-D959 WeakPolarHBondContact CB-OD2 3.49Å; S874-D959 PolarHBondContact OG-OD2 3.11Å; S874-I962 WeakPolarHBondContact O-CD1 3.46Å; S874-K1054 PolarHBondContact OG-NZ 3.24Å |
| 875 | H | 87.3 | Confident | 79.1 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -7.5 | 171.3 | -64.6 | 73.9 | 0 | 0 | 0 | 113.4 | N873 L877 H878 Q879 | N873-H875 PolarHBondContact O-N 3.24Å; N873-H875 PolarHBondContact OD1-N 2.93Å; N873-H875 VanDerWaalsContact OD1-N 3.08Å; H875-L877 VanDerWaalsContact C-N 3.31Å; H875-L877 PolarHBondContact O-N 3.23Å; H875-H878 PolarHBondContact O-N 3.02Å; H875-Q879 WeakPolarHBondContact O-CB 3.44Å; H875-Q879 PolarHBondContact O-N 3.25Å |
| 876 | A | 90.1 | Very high | 80.5 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 7% | 0.066 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.2 | -41.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N873 W880 | N873-A876 HydrophobicContact CB-CB 4.46Å; N873-A876 WeakPolarHBondContact O-CB 3.32Å; N873-A876 PolarHBondContact O-N 2.91Å; A876-W880 VanDerWaalsContact O-CB 3.28Å; A876-W880 WeakPolarHBondContact O-CB 3.28Å; A876-W880 PolarHBondContact O-N 2.84Å |
| 877 | L | 92.6 | Very high | 82 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.1 | -47 | 177.4 | 178.9 | 61.9 | 0 | 0 | 0 | 112 | I857 I860 H875 W880 L881 F897 V923 F960 V963 | I857-L877 HydrophobicContact CD1-CD1 3.8Å; I857-L877 HydrophobicContact CD1-CD2 3.88Å; I857-L877 HydrophobicContact CD1-CG 4.47Å; I860-L877 HydrophobicContact CD1-CD1 3.72Å; I860-L877 HydrophobicContact CG2-CD1 4.25Å; H875-L877 VanDerWaalsContact C-N 3.31Å; H875-L877 PolarHBondContact O-N 3.23Å; L877-W880 PolarHBondContact O-N 3Å; L877-L881 PolarHBondContact O-N 3.29Å; L877-F897 HydrophobicContact CD2-CE2 4.16Å; L877-F897 HydrophobicContact CD2-CZ 4.12Å; L877-V923 HydrophobicContact CD1-CG2 4.28Å; L877-F960 HydrophobicContact CD2-CD1 3.68Å; L877-F960 HydrophobicContact CD2-CE1 3.9Å; L877-V963 HydrophobicContact CB-CG2 4.45Å; L877-V963 HydrophobicContact CD2-CG2 3.93Å; L877-V963 HydrophobicContact CG-CG2 3.9Å |
| 878 | H | 95.1 | Very high | 83.6 | Confident | 15 Ų | 15 | 69 Ų | 69 | 7% | 0.069 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 178.9 | 177.7 | -123.8 | 0 | 0 | 0 | 112.2 | H875 L881 K882 Y890 I962 V963 | H875-H878 PolarHBondContact O-N 3.02Å; H878-L881 PolarHBondContact O-N 3.04Å; H878-K882 WeakPolarHBondContact O-CB 3.47Å; H878-K882 PolarHBondContact O-N 2.91Å; H878-Y890 AromaticContact NE2-CE2 3.9Å; H878-Y890 AromaticContact NE2-CZ 3.75Å; H878-Y890 PolarHBondContact NE2-OH 2.96Å; H878-I962 HydrophobicContact CB-CG2 3.78Å; H878-V963 HydrophobicContact CB-CG2 3.88Å |
| 879 | Q | 93.4 | Very high | 85.3 | Confident | 91 Ų | 91 | 70 Ų | 70 | 43% | 0.425 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.3 | -173.7 | 59 | 45.3 | 0 | 0 | 111.4 | H875 L881 K882 D883 | H875-Q879 WeakPolarHBondContact O-CB 3.44Å; H875-Q879 PolarHBondContact O-N 3.25Å; Q879-L881 VanDerWaalsContact C-N 3.33Å; Q879-L881 PolarHBondContact O-N 3.48Å; Q879-K882 WeakPolarHBondContact O-CB 3.41Å; Q879-K882 PolarHBondContact O-N 2.95Å; Q879-K882 VanDerWaalsContact O-N 3.14Å; Q879-D883 PolarHBondContact NE2-OD1 3.36Å; Q879-D883 PolarHBondContact O-N 2.83Å |
| 880 | W | 94.8 | Very high | 87.5 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 176.7 | 176.9 | 87.2 | 0 | 0 | 0 | 112.3 | H855 I860 A876 L877 K882 D883 K884 V923 D925 | H855-W880 AromaticContact ND1-CZ2 3.62Å; I860-W880 HydrophobicContact CD1-CD2 3.99Å; I860-W880 HydrophobicContact CD1-CE3 3.79Å; I860-W880 HydrophobicContact CD1-CH2 4.21Å; I860-W880 HydrophobicContact CD1-CZ2 4.39Å; I860-W880 HydrophobicContact CD1-CZ3 3.91Å; I860-W880 HydrophobicContact CG1-CD2 4.08Å; I860-W880 HydrophobicContact CG1-CE3 4.4Å; I860-W880 HydrophobicContact CG1-CG 4.4Å; I860-W880 HydrophobicContact CG2-CB 3.56Å; I860-W880 HydrophobicContact CG2-CD2 4.01Å; I860-W880 HydrophobicContact CG2-CE3 4.47Å; I860-W880 HydrophobicContact CG2-CG 3.58Å; A876-W880 VanDerWaalsContact O-CB 3.28Å; A876-W880 WeakPolarHBondContact O-CB 3.28Å; A876-W880 PolarHBondContact O-N 2.84Å; L877-W880 PolarHBondContact O-N 3Å; W880-K882 VanDerWaalsContact C-N 3.34Å; W880-K882 PolarHBondContact O-N 2.87Å; W880-D883 PolarHBondContact O-N 3.36Å; W880-K884 HydrophobicContact CD2-CG 4.32Å; W880-K884 HydrophobicContact CH2-CG 4.41Å; W880-K884 HydrophobicContact CZ2-CG 4.05Å; W880-K884 WeakPolarHBondContact O-CG 3.48Å; W880-K884 PolarHBondContact O-N 2.56Å; W880-K884 VanDerWaalsContact O-N 3.09Å; W880-V923 HydrophobicContact CZ3-CB 4.45Å; W880-V923 HydrophobicContact CZ3-CG1 3.96Å; W880-D925 WeakPolarHBondContact CH2-OD1 3.32Å; W880-D925 VanDerWaalsContact CZ2-OD1 3.23Å; W880-D925 WeakPolarHBondContact CZ2-OD1 3.15Å |
| 881 | L | 95.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 175.1 | -81.6 | 173.7 | 0 | 0 | 0 | 112.5 | L877 H878 Q879 D883 K884 N885 F897 V923 V963 | L877-L881 PolarHBondContact O-N 3.29Å; H878-L881 PolarHBondContact O-N 3.04Å; Q879-L881 VanDerWaalsContact C-N 3.33Å; Q879-L881 PolarHBondContact O-N 3.48Å; L881-D883 VanDerWaalsContact C-N 3.34Å; L881-K884 PolarHBondContact O-N 3.2Å; L881-N885 WeakPolarHBondContact O-CB 3.32Å; L881-N885 PolarHBondContact O-N 3.15Å; L881-N885 PolarHBondContact O-ND2 3.28Å; L881-F897 HydrophobicContact CD1-CD2 3.93Å; L881-F897 HydrophobicContact CD1-CE2 4.41Å; L881-F897 HydrophobicContact CD1-CG 4.41Å; L881-V923 HydrophobicContact CD2-CG1 4.09Å; L881-V963 HydrophobicContact CD1-CG1 3.58Å; L881-V963 HydrophobicContact CD1-CG2 4.18Å |
| 882 | K | 94.9 | Very high | 90.7 | Very high | 105 Ų | 105 | 64 Ų | 64 | 46% | 0.457 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 176.3 | -170.4 | 176.8 | -179.5 | 179.4 | 0 | 112.5 | H878 Q879 W880 N885 Y890 | H878-K882 WeakPolarHBondContact O-CB 3.47Å; H878-K882 PolarHBondContact O-N 2.91Å; Q879-K882 WeakPolarHBondContact O-CB 3.41Å; Q879-K882 PolarHBondContact O-N 2.95Å; Q879-K882 VanDerWaalsContact O-N 3.14Å; W880-K882 VanDerWaalsContact C-N 3.34Å; W880-K882 PolarHBondContact O-N 2.87Å; K882-N885 CarbonylContact O-C 3.5Å; K882-Y890 HydrophobicContact CB-CD2 4.21Å; K882-Y890 HydrophobicContact CB-CE2 4.07Å; K882-Y890 HydrophobicContact CG-CD2 4.12Å; K882-Y890 HydrophobicContact CG-CE2 4.12Å |
| 883 | D | 94.7 | Very high | 92 | Very high | 92 Ų | 92 | 61.9 Ų | 61.9 | 49% | 0.492 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.8 | -36.7 | 176.7 | -66.7 | -21.8 | 0 | 0 | 0 | 111.5 | Q879 W880 L881 K886 | Q879-D883 PolarHBondContact NE2-OD1 3.36Å; Q879-D883 PolarHBondContact O-N 2.83Å; W880-D883 PolarHBondContact O-N 3.36Å; L881-D883 VanDerWaalsContact C-N 3.34Å; D883-K886 WeakPolarHBondContact O-CE 3.42Å |
| 884 | K | 95.6 | Very high | 93 | Very high | 96 Ų | 96 | 59.9 Ų | 59.9 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.6 | -34.4 | 176.6 | -71.5 | -70.3 | -172.5 | 162.1 | 0 | 113.5 | W880 L881 D925 | W880-K884 HydrophobicContact CD2-CG 4.32Å; W880-K884 HydrophobicContact CH2-CG 4.41Å; W880-K884 HydrophobicContact CZ2-CG 4.05Å; W880-K884 WeakPolarHBondContact O-CG 3.48Å; W880-K884 PolarHBondContact O-N 2.56Å; W880-K884 VanDerWaalsContact O-N 3.09Å; L881-K884 PolarHBondContact O-N 3.2Å; K884-D925 HydrophobicContact CD-CB 4.32Å; K884-D925 IonicContact NZ-OD1 2.92Å; K884-D925 PolarHBondContact NZ-OD1 2.86Å; K884-D925 IonicContact NZ-OD2 3.59Å; K884-D925 PolarHBondContact NZ-OD2 2.89Å |
| 885 | N | 95.8 | Very high | 93.8 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -125.1 | 105.5 | -172.7 | -57.3 | -80.8 | 0 | 0 | 0 | 110.1 | L881 K882 M889 Y890 A893 D925 | L881-N885 WeakPolarHBondContact O-CB 3.32Å; L881-N885 PolarHBondContact O-N 3.15Å; L881-N885 PolarHBondContact O-ND2 3.28Å; K882-N885 CarbonylContact O-C 3.5Å; N885-M889 HydrophobicContact CB-CB 4.28Å; N885-Y890 WeakPolarHBondContact O-CB 3.4Å; N885-A893 HydrophobicContact CB-CB 3.82Å; N885-A893 VanDerWaalsContact CG-CB 3.49Å; N885-D925 PolarHBondContact ND2-O 3.48Å |
| 886 | K | 92.1 | Very high | 94.3 | Very high | 161 Ų | 161 | 58.2 Ų | 58.2 | 70% | 0.7 | 29% | 0.292 | S | S | * | . | trans | -108.7 | 151.6 | -176.3 | -61.4 | -179.4 | -177.4 | 177.8 | 0 | 111.5 | D883 | D883-K886 WeakPolarHBondContact O-CE 3.42Š| ||
| 887 | G | 93.1 | Very high | 94.7 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -139.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | M889 Y890 | G887-M889 PolarHBondContact O-N 3.18Å; G887-Y890 VanDerWaalsContact O-CB 3.29Å; G887-Y890 WeakPolarHBondContact O-CB 3.33Å; G887-Y890 PolarHBondContact O-N 3.21Å |
| 888 | E | 88.6 | Confident | 94.9 | Very high | 165 Ų | 165 | 57.9 Ų | 57.9 | 77% | 0.771 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.1 | -24 | -178.8 | -62.8 | -176.4 | 175.3 | 0 | 0 | 113.8 | Y890 D891 | E888-Y890 PolarHBondContact O-N 3.1Å; E888-D891 PolarHBondContact O-N 3.18Å |
| 889 | M | 91.9 | Very high | 95 | Very high | 95 Ų | 95 | 59.8 Ų | 59.8 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.4 | -25.2 | 176.2 | -65.7 | -56.9 | -51.9 | 0 | 0 | 112.7 | N885 G887 Q892 A893 | N885-M889 HydrophobicContact CB-CB 4.28Å; G887-M889 PolarHBondContact O-N 3.18Å; M889-Q892 PolarHBondContact O-N 3.22Å; M889-A893 WeakPolarHBondContact O-CB 3.49Å; M889-A893 PolarHBondContact O-N 3.2Å |
| 890 | Y | 95.7 | Very high | 95.2 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 178.3 | 171.5 | -101.5 | 0 | 0 | 0 | 111.1 | H878 K882 N885 G887 E888 Q892 A893 I894 | H878-Y890 AromaticContact NE2-CE2 3.9Å; H878-Y890 AromaticContact NE2-CZ 3.75Å; H878-Y890 PolarHBondContact NE2-OH 2.96Å; K882-Y890 HydrophobicContact CB-CD2 4.21Å; K882-Y890 HydrophobicContact CB-CE2 4.07Å; K882-Y890 HydrophobicContact CG-CD2 4.12Å; K882-Y890 HydrophobicContact CG-CE2 4.12Å; N885-Y890 WeakPolarHBondContact O-CB 3.4Å; G887-Y890 VanDerWaalsContact O-CB 3.29Å; G887-Y890 WeakPolarHBondContact O-CB 3.33Å; G887-Y890 PolarHBondContact O-N 3.21Å; E888-Y890 PolarHBondContact O-N 3.1Å; Y890-Q892 VanDerWaalsContact C-N 3.29Å; Y890-Q892 PolarHBondContact O-N 3.1Å; Y890-A893 PolarHBondContact O-N 3.19Å; Y890-A893 VanDerWaalsContact O-N 3.16Å; Y890-I894 HydrophobicContact CD1-CG1 4.4Å; Y890-I894 HydrophobicContact CD2-CG1 4.25Å; Y890-I894 HydrophobicContact CE1-CG1 3.98Å; Y890-I894 HydrophobicContact CE2-CD1 3.87Å; Y890-I894 HydrophobicContact CE2-CG1 3.81Å; Y890-I894 WeakPolarHBondContact O-CG1 3.36Å; Y890-I894 PolarHBondContact O-N 3.16Å |
| 891 | D | 94.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | -179.1 | -73 | -50.7 | 0 | 0 | 0 | 111.8 | E888 D895 K966 | E888-D891 PolarHBondContact O-N 3.18Å; D891-D895 WeakPolarHBondContact O-CB 3.46Å; D891-D895 PolarHBondContact O-N 3.49Å; D891-K966 IonicContact OD1-NZ 3.69Å; D891-K966 PolarHBondContact OD1-NZ 2.72Å |
| 892 | Q | 94.1 | Very high | 95.3 | Very high | 109 Ų | 109 | 54 Ų | 54 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 173.9 | -62.8 | 178.9 | 16.9 | 0 | 0 | 111.8 | M889 Y890 D895 L896 | M889-Q892 PolarHBondContact O-N 3.22Å; Y890-Q892 VanDerWaalsContact C-N 3.29Å; Y890-Q892 PolarHBondContact O-N 3.1Å; Q892-D895 PolarHBondContact O-N 2.92Å; Q892-L896 WeakPolarHBondContact O-CB 3.29Å; Q892-L896 PolarHBondContact O-N 3.01Å |
| 893 | A | 96.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N885 M889 Y890 L896 F897 D926 | N885-A893 HydrophobicContact CB-CB 3.82Å; N885-A893 VanDerWaalsContact CG-CB 3.49Å; M889-A893 WeakPolarHBondContact O-CB 3.49Å; M889-A893 PolarHBondContact O-N 3.2Å; Y890-A893 PolarHBondContact O-N 3.19Å; Y890-A893 VanDerWaalsContact O-N 3.16Å; A893-L896 PolarHBondContact O-N 3.03Å; A893-F897 WeakPolarHBondContact O-CB 3.45Å; A893-F897 PolarHBondContact O-N 3.38Å; A893-D926 WeakPolarHBondContact CA-O 3.46Å; A893-D926 WeakPolarHBondContact CB-O 3.37Å |
| 894 | I | 97.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 174.3 | -60.8 | -57.9 | 0 | 0 | 0 | 111 | Y890 F897 T898 V963 K966 | Y890-I894 HydrophobicContact CD1-CG1 4.4Å; Y890-I894 HydrophobicContact CD2-CG1 4.25Å; Y890-I894 HydrophobicContact CE1-CG1 3.98Å; Y890-I894 HydrophobicContact CE2-CD1 3.87Å; Y890-I894 HydrophobicContact CE2-CG1 3.81Å; Y890-I894 WeakPolarHBondContact O-CG1 3.36Å; Y890-I894 PolarHBondContact O-N 3.16Å; I894-F897 PolarHBondContact O-N 3.22Å; I894-T898 WeakPolarHBondContact O-CB 3.29Å; I894-T898 PolarHBondContact O-N 3.13Å; I894-T898 PolarHBondContact O-OG1 2.93Å; I894-V963 HydrophobicContact CD1-CG1 3.61Å; I894-V963 WeakPolarHBondContact CG2-O 3.49Å; I894-K966 HydrophobicContact CG2-CG 4.13Å |
| 895 | D | 96.4 | Very high | 95.3 | Very high | 43 Ų | 43 | 40.4 Ų | 40.4 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 176.4 | -169.4 | 62.7 | 0 | 0 | 0 | 111.5 | D891 Q892 T898 R899 R979 | D891-D895 WeakPolarHBondContact O-CB 3.46Å; D891-D895 PolarHBondContact O-N 3.49Å; Q892-D895 PolarHBondContact O-N 2.92Å; D895-T898 PolarHBondContact O-N 3.04Å; D895-R899 WeakPolarHBondContact O-CB 3.15Å; D895-R899 VanDerWaalsContact O-CG 3.24Å; D895-R899 WeakPolarHBondContact O-CG 3.43Å; D895-R899 PolarHBondContact O-N 3.44Å; D895-R899 IonicContact OD1-NE 3.33Å; D895-R899 IonicContact OD1-NH2 2.77Å; D895-R899 IonicContact OD2-CZ 3.7Å; D895-R899 IonicContact OD2-NE 3.63Å; D895-R899 PolarHBondContact OD2-NE 2.94Å; D895-R899 IonicContact OD2-NH2 3.98Å; D895-R899 PolarHBondContact OD2-NH2 3.01Å; D895-R979 IonicContact OD1-CZ 3.91Å; D895-R979 IonicContact OD1-NH1 2.68Å; D895-R979 PolarHBondContact OD1-NH1 3.07Å; D895-R979 IonicContact OD1-NH2 3.51Å; D895-R979 PolarHBondContact OD1-NH2 3.12Å |
| 896 | L | 96.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.1 | -179.2 | 54.8 | 0 | 0 | 0 | 112.1 | R832 Q892 A893 R899 S900 D926 Q928 | R832-L896 HydrophobicContact CB-CD1 4.02Å; R832-L896 HydrophobicContact CG-CD1 4.03Å; Q892-L896 WeakPolarHBondContact O-CB 3.29Å; Q892-L896 PolarHBondContact O-N 3.01Å; A893-L896 PolarHBondContact O-N 3.03Å; L896-R899 PolarHBondContact O-N 2.97Å; L896-S900 WeakPolarHBondContact O-CB 3.37Å; L896-S900 PolarHBondContact O-N 3.17Å; L896-S900 PolarHBondContact O-OG 2.95Å; L896-D926 HydrophobicContact CD2-CB 4.33Å; L896-Q928 HydrophobicContact CD1-CB 4.31Å; L896-Q928 HydrophobicContact CD1-CG 4.32Å; L896-Q928 HydrophobicContact CD2-CB 3.89Å; L896-Q928 HydrophobicContact CG-CB 3.95Å; L896-Q928 HydrophobicContact CG-CG 4.48Å |
| 897 | F | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 173 | -175.5 | -86.1 | 0 | 0 | 0 | 111 | L877 L881 A893 I894 R899 S900 C901 V923 G927 L929 F960 V963 I964 | L877-F897 HydrophobicContact CD2-CE2 4.16Å; L877-F897 HydrophobicContact CD2-CZ 4.12Å; L881-F897 HydrophobicContact CD1-CD2 3.93Å; L881-F897 HydrophobicContact CD1-CE2 4.41Å; L881-F897 HydrophobicContact CD1-CG 4.41Å; A893-F897 WeakPolarHBondContact O-CB 3.45Å; A893-F897 PolarHBondContact O-N 3.38Å; I894-F897 PolarHBondContact O-N 3.22Å; F897-R899 PolarHBondContact O-N 3.06Å; F897-S900 PolarHBondContact O-OG 2.94Å; F897-C901 HydrophobicContact CE1-CB 4.45Å; F897-C901 WeakPolarHBondContact O-CB 3.34Å; F897-C901 PolarHBondContact O-N 3.34Å; F897-V923 HydrophobicContact CD2-CG1 4.32Å; F897-V923 HydrophobicContact CE2-CG1 4.49Å; F897-V923 HydrophobicContact CE2-CG2 4Å; F897-G927 WeakPolarHBondContact CA-O 3.24Å; F897-G927 VanDerWaalsContact CB-O 3.22Å; F897-G927 WeakPolarHBondContact CB-O 3.41Å; F897-G927 WeakPolarHBondContact CD2-O 3.28Å; F897-G927 PolarHBondContact N-O 2.82Å; F897-L929 HydrophobicContact CD2-CB 4.21Å; F897-L929 HydrophobicContact CD2-CD1 4.46Å; F897-L929 HydrophobicContact CE2-CB 4.16Å; F897-L929 HydrophobicContact CE2-CD1 3.63Å; F897-L929 HydrophobicContact CZ-CD1 3.67Å; F897-F960 HydrophobicContact CE1-CB 4.25Å; F897-F960 HydrophobicContact CZ-CB 4.22Å; F897-F960 AromaticContact CZ-CD1 3.88Å; F897-F960 HydrophobicContact CZ-CD1 3.88Å; F897-F960 HydrophobicContact CZ-CG 4.24Å; F897-V963 HydrophobicContact CB-CG1 4.13Å; F897-V963 HydrophobicContact CD1-CB 3.93Å; F897-V963 HydrophobicContact CD1-CG1 3.37Å; F897-V963 HydrophobicContact CD2-CG1 4.04Å; F897-V963 HydrophobicContact CE1-CB 3.73Å; F897-V963 HydrophobicContact CE1-CG1 3.69Å; F897-V963 HydrophobicContact CE1-CG2 4.39Å; F897-V963 HydrophobicContact CE2-CG1 4.3Å; F897-V963 HydrophobicContact CG-CG1 3.57Å; F897-V963 HydrophobicContact CZ-CB 4.14Å; F897-V963 HydrophobicContact CZ-CG1 4.15Å; F897-V963 HydrophobicContact CZ-CG2 4.3Å; F897-I964 HydrophobicContact CD1-CG1 4.21Å; F897-I964 HydrophobicContact CE1-CG1 4.2Å |
| 898 | T | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | -178.6 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | I894 D895 A902 I964 F980 | I894-T898 WeakPolarHBondContact O-CB 3.29Å; I894-T898 PolarHBondContact O-N 3.13Å; I894-T898 PolarHBondContact O-OG1 2.93Å; D895-T898 PolarHBondContact O-N 3.04Å; T898-A902 WeakPolarHBondContact O-CB 3.42Å; T898-A902 PolarHBondContact O-N 3.43Å; T898-I964 HydrophobicContact CG2-CG1 4.42Å; T898-I964 HydrophobicContact CG2-CG2 4.17Å; T898-F980 HydrophobicContact CG2-CB 3.81Å; T898-F980 HydrophobicContact CG2-CD2 3.9Å; T898-F980 HydrophobicContact CG2-CG 4.33Å |
| 899 | R | 97.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 21.6 Ų | 21.6 | 20% | 0.204 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.9 | -49 | 179.7 | -73.4 | 168.2 | -178.9 | -70.6 | -3.9 | 112.9 | D830 L831 D895 L896 F897 A902 G903 M983 | D830-R899 WeakPolarHBondContact O-CB 3.42Å; D830-R899 WeakPolarHBondContact O-CD 3.35Å; D830-R899 WeakPolarHBondContact O-CG 3.32Å; D830-R899 PolarHBondContact O-NH1 3.39Å; L831-R899 HydrophobicContact CD2-CB 4.39Å; L831-R899 WeakPolarHBondContact CD2-O 3.38Å; D895-R899 WeakPolarHBondContact O-CB 3.15Å; D895-R899 VanDerWaalsContact O-CG 3.24Å; D895-R899 WeakPolarHBondContact O-CG 3.43Å; D895-R899 PolarHBondContact O-N 3.44Å; D895-R899 IonicContact OD1-NE 3.33Å; D895-R899 IonicContact OD1-NH2 2.77Å; D895-R899 IonicContact OD2-CZ 3.7Å; D895-R899 IonicContact OD2-NE 3.63Å; D895-R899 PolarHBondContact OD2-NE 2.94Å; D895-R899 IonicContact OD2-NH2 3.98Å; D895-R899 PolarHBondContact OD2-NH2 3.01Å; L896-R899 PolarHBondContact O-N 2.97Å; F897-R899 PolarHBondContact O-N 3.06Å; R899-A902 PolarHBondContact O-N 2.95Å; R899-G903 PolarHBondContact O-N 3.27Å; R899-G903 VanDerWaalsContact O-N 3.11Å; R899-M983 HydrophobicContact CG-CE 4.02Å; R899-M983 HydrophobicContact CG-SD 3.93Å |
| 900 | S | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 111 | R832 L896 F897 A902 G903 Y904 L929 | R832-S900 WeakPolarHBondContact O-CA 3.42Å; R832-S900 WeakPolarHBondContact O-CB 3.29Å; L896-S900 WeakPolarHBondContact O-CB 3.37Å; L896-S900 PolarHBondContact O-N 3.17Å; L896-S900 PolarHBondContact O-OG 2.95Å; F897-S900 PolarHBondContact O-OG 2.94Å; S900-A902 PolarHBondContact O-N 3.02Å; S900-G903 PolarHBondContact O-N 3.39Å; S900-Y904 WeakPolarHBondContact O-CD2 3.3Å; S900-Y904 PolarHBondContact O-N 3.41Å; S900-L929 WeakPolarHBondContact CB-O 3.43Å; S900-L929 PolarHBondContact OG-N 2.98Å |
| 901 | C | 96.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.9 | -50.2 | 172.4 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | F897 G903 Y904 C905 F980 | F897-C901 HydrophobicContact CE1-CB 4.45Å; F897-C901 WeakPolarHBondContact O-CB 3.34Å; F897-C901 PolarHBondContact O-N 3.34Å; C901-G903 VanDerWaalsContact C-N 3.32Å; C901-G903 PolarHBondContact O-N 3.06Å; C901-Y904 PolarHBondContact O-N 3.46Å; C901-C905 PolarHBondContact O-N 3.17Å; C901-C905 PolarHBondContact O-SG 3.46Å; C901-F980 HydrophobicContact CB-CE2 4.17Å |
| 902 | A | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57 | -43.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L831 T898 R899 S900 C905 V906 F980 M983 | L831-A902 HydrophobicContact CD2-CB 4.23Å; T898-A902 WeakPolarHBondContact O-CB 3.42Å; T898-A902 PolarHBondContact O-N 3.43Å; R899-A902 PolarHBondContact O-N 2.95Å; S900-A902 PolarHBondContact O-N 3.02Å; A902-C905 WeakPolarHBondContact O-CB 3.41Å; A902-C905 PolarHBondContact O-N 2.83Å; A902-V906 WeakPolarHBondContact O-CG2 3.29Å; A902-V906 PolarHBondContact O-N 2.89Å; A902-F980 HydrophobicContact CB-CD2 3.96Å; A902-F980 HydrophobicContact CB-CE2 3.91Å; A902-M983 HydrophobicContact CB-CB 3.91Å |
| 903 | G | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.7 | -48.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | W824 R899 S900 C901 C905 V906 A907 | W824-G903 WeakPolarHBondContact CH2-O 3.49Å; R899-G903 PolarHBondContact O-N 3.27Å; R899-G903 VanDerWaalsContact O-N 3.11Å; S900-G903 PolarHBondContact O-N 3.39Å; C901-G903 VanDerWaalsContact C-N 3.32Å; C901-G903 PolarHBondContact O-N 3.06Å; G903-C905 PolarHBondContact O-N 2.86Å; G903-V906 PolarHBondContact O-N 2.92Å; G903-A907 WeakPolarHBondContact O-CB 3.24Å; G903-A907 PolarHBondContact O-N 2.67Å |
| 904 | Y | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -67.3 | -31.9 | 177.8 | -82.8 | -79.2 | 0 | 0 | 0 | 113.1 | I817 M833 L834 S900 C901 T908 L929 F930 H931 F934 | I817-Y904 HydrophobicContact CD1-CE1 4.17Å; M833-Y904 HydrophobicContact CE-CD1 3.68Å; M833-Y904 HydrophobicContact CE-CD2 3.65Å; M833-Y904 HydrophobicContact CE-CE1 3.74Å; M833-Y904 HydrophobicContact CE-CE2 3.68Å; M833-Y904 HydrophobicContact CE-CG 3.64Å; M833-Y904 HydrophobicContact SD-CD2 3.9Å; M833-Y904 HydrophobicContact SD-CE2 3.92Å; M833-Y904 HydrophobicContact SD-CG 4.39Å; L834-Y904 PolarHBondContact N-OH 2.89Å; L834-Y904 PolarHBondContact O-OH 3.03Å; S900-Y904 WeakPolarHBondContact O-CD2 3.3Å; S900-Y904 PolarHBondContact O-N 3.41Å; C901-Y904 PolarHBondContact O-N 3.46Å; Y904-T908 WeakPolarHBondContact O-CB 3.25Å; Y904-T908 WeakPolarHBondContact O-CG2 3.43Å; Y904-T908 PolarHBondContact O-N 3.23Å; Y904-T908 PolarHBondContact O-OG1 3.07Å; Y904-L929 HydrophobicContact CD2-CD2 4.22Å; Y904-L929 WeakPolarHBondContact CE2-O 3.46Å; Y904-L929 HydrophobicContact CG-CD2 4.39Å; Y904-F930 VanDerWaalsContact CE2-CA 3.46Å; Y904-F930 HydrophobicContact CE2-CB 3.69Å; Y904-F930 WeakPolarHBondContact OH-CB 3.17Å; Y904-H931 HydrophobicContact CD1-CB 3.87Å; Y904-H931 AromaticContact CD1-CD2 3.96Å; Y904-H931 AromaticContact CD1-CG 3.67Å; Y904-H931 AromaticContact CD1-ND1 3.97Å; Y904-H931 HydrophobicContact CE1-CB 3.91Å; Y904-F934 HydrophobicContact CE1-CZ 4.31Å |
| 905 | C | 92.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 9.4 Ų | 9.4 | 4% | 0.041 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -56 | -52.6 | 171.7 | -62.4 | 0 | 0 | 0 | 0 | 111 | C901 A902 G903 T908 F909 F954 F980 | C901-C905 PolarHBondContact O-N 3.17Å; C901-C905 PolarHBondContact O-SG 3.46Å; A902-C905 WeakPolarHBondContact O-CB 3.41Å; A902-C905 PolarHBondContact O-N 2.83Å; G903-C905 PolarHBondContact O-N 2.86Å; C905-T908 PolarHBondContact O-OG1 3.07Å; C905-F909 WeakPolarHBondContact O-CB 3.46Å; C905-F909 PolarHBondContact O-N 3.43Å; C905-F909 VanDerWaalsContact O-N 3.15Å; C905-F954 HydrophobicContact CB-CD1 4.14Å; C905-F954 HydrophobicContact CB-CD2 4.43Å; C905-F954 HydrophobicContact CB-CE1 3.87Å; C905-F954 HydrophobicContact CB-CE2 4.21Å; C905-F954 HydrophobicContact CB-CG 4.42Å; C905-F954 HydrophobicContact CB-CZ 3.94Å; C905-F954 WeakPolarHBondContact SG-CE1 3.22Å; C905-F954 WeakPolarHBondContact SG-CZ 3.44Å; C905-F980 VanDerWaalsContact SG-CZ 3.55Å |
| 906 | V | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -70.5 | -46.5 | -175.4 | 173 | 0 | 0 | 0 | 0 | 110.6 | W824 A902 G903 T908 F909 I910 C984 A987 F1039 | W824-V906 HydrophobicContact CZ2-CB 4.35Å; W824-V906 HydrophobicContact CZ2-CG1 3.97Å; A902-V906 WeakPolarHBondContact O-CG2 3.29Å; A902-V906 PolarHBondContact O-N 2.89Å; G903-V906 PolarHBondContact O-N 2.92Å; V906-T908 PolarHBondContact O-N 3.11Å; V906-F909 PolarHBondContact O-N 2.68Å; V906-I910 HydrophobicContact CG1-CD1 3.55Å; V906-I910 HydrophobicContact CG1-CG1 4.39Å; V906-I910 VanDerWaalsContact O-CG1 3.29Å; V906-I910 WeakPolarHBondContact O-CG1 3.47Å; V906-I910 PolarHBondContact O-N 2.62Å; V906-C984 HydrophobicContact CG2-CB 4.01Å; V906-C984 WeakPolarHBondContact CG2-O 3.5Å; V906-A987 HydrophobicContact CB-CB 4.42Å; V906-A987 HydrophobicContact CG1-CB 4.31Å; V906-A987 HydrophobicContact CG2-CB 4.04Å; V906-F1039 HydrophobicContact CG2-CE1 4.36Å; V906-F1039 HydrophobicContact CG2-CZ 3.83Å |
| 907 | A | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -60.7 | -47.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I817 M820 W824 M833 G903 F909 I910 L911 | I817-A907 HydrophobicContact CG1-CB 4.47Å; M820-A907 HydrophobicContact SD-CB 3.69Å; W824-A907 HydrophobicContact CH2-CB 4.33Å; M833-A907 HydrophobicContact CE-CB 4.07Å; G903-A907 WeakPolarHBondContact O-CB 3.24Å; G903-A907 PolarHBondContact O-N 2.67Å; A907-F909 PolarHBondContact O-N 2.9Å; A907-I910 PolarHBondContact O-N 3.33Å; A907-L911 WeakPolarHBondContact O-CB 3.44Å; A907-L911 VanDerWaalsContact O-CG 3.25Å; A907-L911 WeakPolarHBondContact O-CG 3.4Å; A907-L911 PolarHBondContact O-N 3.02Å |
| 908 | T | 91.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.006 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -67.9 | -34.8 | -179.7 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | Y904 C905 V906 G912 I913 H931 F954 | Y904-T908 WeakPolarHBondContact O-CB 3.25Å; Y904-T908 WeakPolarHBondContact O-CG2 3.43Å; Y904-T908 PolarHBondContact O-N 3.23Å; Y904-T908 PolarHBondContact O-OG1 3.07Å; C905-T908 PolarHBondContact O-OG1 3.07Å; V906-T908 PolarHBondContact O-N 3.11Å; T908-G912 WeakPolarHBondContact O-CA 3.44Å; T908-G912 PolarHBondContact O-N 3.06Å; T908-I913 HydrophobicContact CG2-CB 4.12Å; T908-I913 HydrophobicContact CG2-CD1 4.07Å; T908-I913 HydrophobicContact CG2-CG2 4.39Å; T908-I913 PolarHBondContact O-N 2.88Å; T908-I913 VanDerWaalsContact O-N 3.13Å; T908-H931 VanDerWaalsContact CG2-ND1 3.3Å; T908-H931 WeakPolarHBondContact CG2-ND1 3.4Å; T908-F954 WeakPolarHBondContact OG1-CD2 3.47Å |
| 909 | F | 91.2 | Very high | 89.7 | Confident | 8 Ų | 8 | 10.6 Ų | 10.6 | 4% | 0.035 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.7 | -50.7 | 172.8 | 171.2 | -99.9 | 0 | 0 | 0 | 111.9 | C905 V906 A907 L911 G912 P953 Y988 T1025 Y1038 F1039 Q1042 | C905-F909 WeakPolarHBondContact O-CB 3.46Å; C905-F909 PolarHBondContact O-N 3.43Å; C905-F909 VanDerWaalsContact O-N 3.15Å; V906-F909 PolarHBondContact O-N 2.68Å; A907-F909 PolarHBondContact O-N 2.9Å; F909-L911 PolarHBondContact O-N 2.74Å; F909-G912 PolarHBondContact O-N 3.45Å; F909-P953 HydrophobicContact CD2-CB 3.84Å; F909-P953 HydrophobicContact CD2-CG 3.89Å; F909-P953 HydrophobicContact CE2-CB 4.31Å; F909-P953 HydrophobicContact CE2-CG 4.06Å; F909-Y988 HydrophobicContact CE1-CE2 4.06Å; F909-T1025 WeakPolarHBondContact CE1-O 3.24Å; F909-Y1038 HydrophobicContact CE1-CE1 4.5Å; F909-Y1038 AromaticContact CZ-CE1 3.9Å; F909-Y1038 HydrophobicContact CZ-CE1 3.9Å; F909-F1039 HydrophobicContact CB-CE2 4.43Å; F909-F1039 AromaticContact CD1-CD2 3.7Å; F909-F1039 HydrophobicContact CD1-CD2 3.7Å; F909-F1039 AromaticContact CD1-CE2 3.6Å; F909-F1039 HydrophobicContact CD1-CE2 3.6Å; F909-F1039 AromaticContact CE1-CD2 3.56Å; F909-F1039 HydrophobicContact CE1-CD2 3.56Å; F909-F1039 AromaticContact CE1-CE2 3.98Å; F909-F1039 HydrophobicContact CE1-CE2 3.98Å; F909-F1039 HydrophobicContact CG-CD2 4.34Å; F909-F1039 AromaticContact CG-CE2 3.96Å; F909-F1039 HydrophobicContact CG-CE2 3.96Å; F909-F1039 HydrophobicContact CZ-CD2 4.1Å; F909-Q1042 HydrophobicContact CE2-CB 3.78Å; F909-Q1042 HydrophobicContact CE2-CG 3.87Å; F909-Q1042 HydrophobicContact CZ-CB 4.16Å; F909-Q1042 HydrophobicContact CZ-CG 3.98Å |
| 910 | I | 93.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | -176.6 | -68.1 | 168.7 | 0 | 0 | 0 | 110.7 | M820 V906 A907 G912 Y988 I991 T1025 L1026 | M820-I910 HydrophobicContact CE-CB 4.43Å; M820-I910 HydrophobicContact CE-CG2 4.12Å; V906-I910 HydrophobicContact CG1-CD1 3.55Å; V906-I910 HydrophobicContact CG1-CG1 4.39Å; V906-I910 VanDerWaalsContact O-CG1 3.29Å; V906-I910 WeakPolarHBondContact O-CG1 3.47Å; V906-I910 PolarHBondContact O-N 2.62Å; A907-I910 PolarHBondContact O-N 3.33Å; I910-G912 VanDerWaalsContact C-N 3.34Å; I910-Y988 HydrophobicContact CD1-CD2 4.25Å; I910-Y988 HydrophobicContact CG1-CD2 4.35Å; I910-I991 HydrophobicContact CD1-CB 3.89Å; I910-I991 HydrophobicContact CD1-CG1 4.25Å; I910-I991 HydrophobicContact CD1-CG2 3.7Å; I910-T1025 PolarHBondContact O-OG1 3.5Å; I910-L1026 HydrophobicContact CD1-CD2 3.76Å; I910-L1026 HydrophobicContact CG1-CD2 3.89Å; I910-L1026 HydrophobicContact CG2-CD1 4.49Å; I910-L1026 HydrophobicContact CG2-CD2 4.08Å; I910-L1026 HydrophobicContact CG2-CG 4.19Å |
| 911 | L | 92.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 8.3 Ų | 8.3 | 2% | 0.016 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -83.2 | -9.3 | -176.6 | -59.3 | 176.4 | 0 | 0 | 0 | 113.7 | T813 I816 M820 A907 F909 I913 L938 F1002 | T813-L911 HydrophobicContact CG2-CD1 4.31Å; I816-L911 HydrophobicContact CG2-CD1 3.9Å; I816-L911 HydrophobicContact CG2-CD2 3.75Å; I816-L911 HydrophobicContact CG2-CG 4.41Å; M820-L911 HydrophobicContact CE-CD1 4.27Å; M820-L911 HydrophobicContact CE-CD2 4.01Å; M820-L911 HydrophobicContact CE-CG 4.05Å; A907-L911 WeakPolarHBondContact O-CB 3.44Å; A907-L911 VanDerWaalsContact O-CG 3.25Å; A907-L911 WeakPolarHBondContact O-CG 3.4Å; A907-L911 PolarHBondContact O-N 3.02Å; F909-L911 PolarHBondContact O-N 2.74Å; L911-I913 VanDerWaalsContact C-N 3.29Å; L911-I913 HydrophobicContact CB-CD1 3.88Å; L911-I913 HydrophobicContact CB-CG1 3.85Å; L911-I913 HydrophobicContact CD1-CD1 3.87Å; L911-I913 PolarHBondContact O-N 3.36Å; L911-L938 PolarHBondContact O-N 3.01Å; L911-F1002 HydrophobicContact CD2-CE2 4.05Å; L911-F1002 HydrophobicContact CD2-CZ 3.97Å |
| 912 | G | 89.1 | Confident | 89.1 | Confident | 11 Ų | 11 | 9.4 Ų | 9.4 | 11% | 0.113 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 35.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T908 F909 I910 G914 Y1021 | T908-G912 WeakPolarHBondContact O-CA 3.44Å; T908-G912 PolarHBondContact O-N 3.06Å; F909-G912 PolarHBondContact O-N 3.45Å; I910-G912 VanDerWaalsContact C-N 3.34Å; G912-G914 PolarHBondContact O-N 2.99Å; G912-Y1021 VanDerWaalsContact CA-CE1 3.43Å; G912-Y1021 VanDerWaalsContact CA-OH 3.32Å; G912-Y1021 WeakPolarHBondContact CA-OH 3.49Å |
| 913 | I | 86.4 | Confident | 89.2 | Confident | 6 Ų | 6 | 9.4 Ų | 9.4 | 3% | 0.031 | 6% | 0.056 | C | C | . | . | trans | -71.6 | 115.7 | -178.7 | -66.3 | 162.9 | 0 | 0 | 0 | 109.2 | T813 T908 L911 F934 | T813-I913 HydrophobicContact CG2-CD1 3.55Å; T813-I913 HydrophobicContact CG2-CG1 4.38Å; T908-I913 HydrophobicContact CG2-CB 4.12Å; T908-I913 HydrophobicContact CG2-CD1 4.07Å; T908-I913 HydrophobicContact CG2-CG2 4.39Å; T908-I913 PolarHBondContact O-N 2.88Å; T908-I913 VanDerWaalsContact O-N 3.13Å; L911-I913 VanDerWaalsContact C-N 3.29Å; L911-I913 HydrophobicContact CB-CD1 3.88Å; L911-I913 HydrophobicContact CB-CG1 3.85Å; L911-I913 HydrophobicContact CD1-CD1 3.87Å; L911-I913 PolarHBondContact O-N 3.36Å; I913-F934 HydrophobicContact CD1-CD1 3.84Å; I913-F934 HydrophobicContact CD1-CE1 4.15Å; I913-F934 HydrophobicContact CG1-CD1 4.49Å; I913-F934 HydrophobicContact CG2-CD1 3.9Å | ||
| 914 | G | 71.2 | Confident | 89.2 | Confident | 14 Ų | 14 | 10.7 Ų | 10.7 | 14% | 0.144 | 6% | 0.061 | C | C | . | . | trans | -85.3 | -177.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G912 R916 E950 | G912-G914 PolarHBondContact O-N 2.99Å; G914-R916 VanDerWaalsContact C-N 3.31Å; G914-R916 VanDerWaalsContact O-CZ 3.27Å; G914-R916 PolarHBondContact O-N 3.26Å; G914-R916 PolarHBondContact O-NE 3.46Å; G914-R916 PolarHBondContact O-NH2 3.47Å; G914-E950 WeakPolarHBondContact CA-OE2 3.48Å | ||
| 915 | D | 71.7 | Confident | 89.3 | Confident | 32 Ų | 32 | 12.6 Ų | 12.6 | 17% | 0.171 | 7% | 0.071 | C | C | . | . | trans | 54.1 | 33.3 | 171.3 | -146.4 | 2.5 | 0 | 0 | 0 | 114.7 | H917 N920 R949 E950 | D915-H917 PolarHBondContact O-CD2 3.06Å; D915-H917 PolarHBondContact O-N 3.31Å; D915-H917 IonicContact OD1-CD2 2.74Å; D915-N920 PolarHBondContact O-ND2 2.88Å; D915-R949 IonicContact OD1-NH1 3.85Å; D915-R949 IonicContact OD2-NH1 3.89Å; D915-E950 WeakPolarHBondContact CA-OE1 3.48Å; D915-E950 VanDerWaalsContact CB-OE1 3.31Å; D915-E950 WeakPolarHBondContact CB-OE1 3.49Å; D915-E950 PolarHBondContact N-OE1 2.79Å; D915-E950 PolarHBondContact N-OE2 3.47Å | ||
| 916 | R | 83.2 | Confident | 89.5 | Confident | 23 Ų | 23 | 14.7 Ų | 14.7 | 9% | 0.087 | 8% | 0.082 | C | C | . | . | trans | -71.2 | 117.1 | 179.7 | -62.6 | -55.3 | 88.7 | -179 | 7 | 111.4 | G914 N920 I921 H931 I932 D933 V955 | G914-R916 VanDerWaalsContact C-N 3.31Å; G914-R916 VanDerWaalsContact O-CZ 3.27Å; G914-R916 PolarHBondContact O-N 3.26Å; G914-R916 PolarHBondContact O-NE 3.46Å; G914-R916 PolarHBondContact O-NH2 3.47Å; R916-N920 PolarHBondContact NH2-ND2 3.02Å; R916-I921 HydrophobicContact CB-CD1 4.43Å; R916-H931 WeakPolarHBondContact CD-ND1 3.29Å; R916-I932 PolarHBondContact NH1-O 2.71Å; R916-D933 PolarHBondContact NH1-O 2.97Å; R916-D933 PolarHBondContact NH2-O 2.85Å; R916-V955 HydrophobicContact CB-CG2 4.4Å | ||
| 917 | H | 81.6 | Confident | 89.6 | Confident | 24 Ų | 24 | 14.7 Ų | 14.7 | 11% | 0.111 | 8% | 0.082 | C | C | . | . | trans | -150.3 | 170.1 | -176.7 | 59.2 | 36.9 | 0 | 0 | 0 | 112 | D915 S919 N920 I921 | D915-H917 PolarHBondContact O-CD2 3.06Å; D915-H917 PolarHBondContact O-N 3.31Å; D915-H917 IonicContact OD1-CD2 2.74Å; H917-S919 PolarHBondContact ND1-N 2.84Å; H917-S919 PolarHBondContact O-N 2.99Å; H917-N920 VanDerWaalsContact CE1-CG 3.43Å; H917-N920 PolarHBondContact CE1-ND2 3.1Å; H917-N920 PolarHBondContact N-OD1 2.94Å; H917-N920 PolarHBondContact ND1-N 2.88Å; H917-N920 PolarHBondContact ND1-OD1 2.9Å; H917-N920 PolarHBondContact O-N 2.83Å; H917-N920 PolarHBondContact O-OD1 3.44Å; H917-I921 PolarHBondContact O-N 2.88Å | ||
| 918 | N | 84.6 | Confident | 89.7 | Confident | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.2 | -171.1 | -66.3 | -7.5 | 0 | 0 | 0 | 115.5 | T856 I857 M858 Q861 W1057 | T856-N918 WeakPolarHBondContact CB-O 3.18Å; I857-N918 HydrophobicContact CB-CB 3.87Å; I857-N918 HydrophobicContact CG2-CB 3.95Å; I857-N918 PolarHBondContact N-O 3.3Å; I857-N918 VanDerWaalsContact N-O 3.11Å; M858-N918 HydrophobicContact CB-CB 4.14Å; M858-N918 HydrophobicContact CE-CB 4.35Å; M858-N918 PolarHBondContact N-O 3.02Å; Q861-N918 PolarHBondContact NE2-ND2 2.93Å; Q861-N918 PolarHBondContact OE1-ND2 2.89Å; N918-W1057 VanDerWaalsContact ND2-CZ3 3.29Å; N918-W1057 WeakPolarHBondContact ND2-CZ3 3.45Å; N918-W1057 WeakPolarHBondContact OD1-CH2 3.37Å; N918-W1057 WeakPolarHBondContact OD1-CZ2 3.26Å |
| 919 | S | 83.9 | Confident | 90 | Very high | 34 Ų | 34 | 15.3 Ų | 15.3 | 24% | 0.238 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -8.9 | 177.2 | -54.3 | 0 | 0 | 0 | 0 | 114.7 | T856 H917 | T856-S919 WeakPolarHBondContact CG2-O 3.13Å; H917-S919 PolarHBondContact ND1-N 2.84Å; H917-S919 PolarHBondContact O-N 2.99Å |
| 920 | N | 89.6 | Confident | 90.3 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 12.7 | 177.9 | 69.5 | 2.5 | 0 | 0 | 0 | 113.7 | D915 R916 H917 I932 D933 | D915-N920 PolarHBondContact O-ND2 2.88Å; R916-N920 PolarHBondContact NH2-ND2 3.02Å; H917-N920 VanDerWaalsContact CE1-CG 3.43Å; H917-N920 PolarHBondContact CE1-ND2 3.1Å; H917-N920 PolarHBondContact N-OD1 2.94Å; H917-N920 PolarHBondContact ND1-N 2.88Å; H917-N920 PolarHBondContact ND1-OD1 2.9Å; H917-N920 PolarHBondContact O-N 2.83Å; H917-N920 PolarHBondContact O-OD1 3.44Å; N920-I932 HydrophobicContact CB-CG1 4.02Å; N920-I932 WeakPolarHBondContact O-CG1 3.27Å; N920-I932 PolarHBondContact O-N 3.08Å; N920-D933 HydrophobicContact CB-CB 4.27Å |
| 921 | I | 93.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.5 | 164.5 | -58.3 | 173.6 | 0 | 0 | 0 | 106.7 | T856 I857 R916 H917 L929 F960 | T856-I921 VanDerWaalsContact CA-O 3.32Å; T856-I921 WeakPolarHBondContact CA-O 3.19Å; I857-I921 HydrophobicContact CD1-CG2 4.4Å; I857-I921 HydrophobicContact CG1-CB 4.01Å; I857-I921 HydrophobicContact CG1-CG2 3.9Å; I857-I921 PolarHBondContact N-O 2.76Å; R916-I921 HydrophobicContact CB-CD1 4.43Å; H917-I921 PolarHBondContact O-N 2.88Å; I921-L929 HydrophobicContact CG2-CD1 4.04Å; I921-L929 HydrophobicContact CG2-CD2 4.31Å; I921-L929 HydrophobicContact CG2-CG 4.09Å; I921-F960 HydrophobicContact CD1-CE2 4.08Å; I921-F960 HydrophobicContact CD1-CZ 3.88Å; I921-F960 HydrophobicContact CG2-CZ 4.06Å |
| 922 | M | 96.4 | Very high | 90.4 | Very high | 25 Ų | 25 | 16.8 Ų | 16.8 | 12% | 0.123 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151.5 | -177.7 | -64 | -169.4 | 79.7 | 0 | 0 | 111.2 | S854 H855 T856 L929 F930 I932 | S854-M922 WeakPolarHBondContact OG-CE 3.28Å; H855-M922 CarbonylContact O-C 3.48Å; H855-M922 VanDerWaalsContact O-CA 3.26Å; H855-M922 WeakPolarHBondContact O-CA 3.18Å; T856-M922 HydrophobicContact CG2-CE 4.3Å; T856-M922 HydrophobicContact CG2-CG 3.9Å; T856-M922 HydrophobicContact CG2-SD 4.42Å; M922-L929 WeakPolarHBondContact O-CA 3.44Å; M922-F930 HydrophobicContact CB-CD1 4.01Å; M922-F930 HydrophobicContact CB-CD2 4.35Å; M922-F930 HydrophobicContact CB-CE1 3.45Å; M922-F930 VanDerWaalsContact CB-CE1 3.45Å; M922-F930 HydrophobicContact CB-CE2 3.85Å; M922-F930 HydrophobicContact CB-CG 4.42Å; M922-F930 HydrophobicContact CB-CZ 3.37Å; M922-F930 HydrophobicContact CE-CZ 4.36Å; M922-F930 HydrophobicContact CG-CE2 4.31Å; M922-F930 HydrophobicContact CG-CZ 4.08Å; M922-F930 PolarHBondContact N-O 2.89Å; M922-F930 PolarHBondContact O-N 3.15Å; M922-F930 VanDerWaalsContact O-O 3.11Å; M922-F930 HydrophobicContact SD-CE2 3.91Å; M922-F930 HydrophobicContact SD-CZ 3.69Å; M922-I932 HydrophobicContact CG-CD1 4.14Å; M922-I932 HydrophobicContact CG-CG1 4.31Å; M922-I932 HydrophobicContact CG-CG2 4.36Å; M922-I932 HydrophobicContact SD-CD1 3.76Å; M922-I932 HydrophobicContact SD-CG1 4.32Å; M922-I932 HydrophobicContact SD-CG2 3.86Å |
| 923 | V | 97.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133 | 175.7 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | S854 H855 I857 I860 L877 W880 L881 F897 Q928 L929 | S854-V923 WeakPolarHBondContact CA-O 3.46Å; H855-V923 PolarHBondContact N-O 2.95Å; H855-V923 PolarHBondContact O-N 3.27Å; I857-V923 HydrophobicContact CD1-CG2 3.47Å; I857-V923 VanDerWaalsContact CD1-CG2 3.47Å; I860-V923 HydrophobicContact CD1-CB 4.29Å; L877-V923 HydrophobicContact CD1-CG2 4.28Å; W880-V923 HydrophobicContact CZ3-CB 4.45Å; W880-V923 HydrophobicContact CZ3-CG1 3.96Å; L881-V923 HydrophobicContact CD2-CG1 4.09Å; F897-V923 HydrophobicContact CD2-CG1 4.32Å; F897-V923 HydrophobicContact CE2-CG1 4.49Å; F897-V923 HydrophobicContact CE2-CG2 4Å; V923-Q928 WeakPolarHBondContact CA-O 3.41Å; V923-L929 HydrophobicContact CG2-CB 4.36Å; V923-L929 HydrophobicContact CG2-CD1 4.31Å; V923-L929 HydrophobicContact CG2-CG 4.35Å |
| 924 | K | 97.9 | Very high | 90.4 | Very high | 27 Ų | 27 | 19.9 Ų | 19.9 | 12% | 0.117 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 156.9 | 173 | -74.1 | 173.8 | 61.2 | -120.1 | 0 | 111 | L834 V851 N853 D926 G927 Q928 F930 | L834-K924 HydrophobicContact CD1-CD 3.59Å; V851-K924 HydrophobicContact CG1-CD 3.83Å; V851-K924 HydrophobicContact CG1-CG 4.16Å; N853-K924 WeakPolarHBondContact O-CA 3.25Å; K924-D926 WeakPolarHBondContact CB-OD1 3.24Å; K924-D926 IonicContact NZ-OD1 2.84Å; K924-D926 PolarHBondContact NZ-OD1 2.93Å; K924-D926 IonicContact NZ-OD2 2.63Å; K924-D926 PolarHBondContact NZ-OD2 2.91Å; K924-D926 PolarHBondContact O-N 2.9Å; K924-D926 VanDerWaalsContact O-N 3.1Å; K924-G927 PolarHBondContact O-N 3.1Å; K924-Q928 HydrophobicContact CB-CB 4.25Å; K924-Q928 HydrophobicContact CD-CB 4.22Å; K924-Q928 PolarHBondContact N-O 3.06Å; K924-F930 HydrophobicContact CD-CE1 4.45Å; K924-F930 HydrophobicContact CG-CD1 4.47Å; K924-F930 HydrophobicContact CG-CE1 3.96Å |
| 925 | D | 96.9 | Very high | 90.6 | Very high | 39 Ų | 39 | 20 Ų | 20 | 21% | 0.209 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -29.7 | 177.3 | -77.7 | 5 | 0 | 0 | 0 | 113.1 | N853 H855 W880 K884 N885 G927 | N853-D925 HydrophobicContact CB-CB 4.49Å; N853-D925 PolarHBondContact O-N 2.85Å; H855-D925 IonicContact CE1-OD1 2.9Å; H855-D925 IonicContact ND1-OD1 2.68Å; W880-D925 WeakPolarHBondContact CH2-OD1 3.32Å; W880-D925 VanDerWaalsContact CZ2-OD1 3.23Å; W880-D925 WeakPolarHBondContact CZ2-OD1 3.15Å; K884-D925 HydrophobicContact CD-CB 4.32Å; K884-D925 IonicContact NZ-OD1 2.92Å; K884-D925 PolarHBondContact NZ-OD1 2.86Å; K884-D925 IonicContact NZ-OD2 3.59Å; K884-D925 PolarHBondContact NZ-OD2 2.89Å; N885-D925 PolarHBondContact ND2-O 3.48Å; D925-G927 VanDerWaalsContact C-N 3.29Å; D925-G927 PolarHBondContact O-N 3.4Å |
| 926 | D | 96.1 | Very high | 91.1 | Very high | 51 Ų | 51 | 21.2 Ų | 21.2 | 27% | 0.273 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -0.7 | 177.6 | 62.7 | 3.4 | 0 | 0 | 0 | 114.5 | A893 L896 K924 Q928 | A893-D926 WeakPolarHBondContact CA-O 3.46Å; A893-D926 WeakPolarHBondContact CB-O 3.37Å; L896-D926 HydrophobicContact CD2-CB 4.33Å; K924-D926 WeakPolarHBondContact CB-OD1 3.24Å; K924-D926 IonicContact NZ-OD1 2.84Å; K924-D926 PolarHBondContact NZ-OD1 2.93Å; K924-D926 IonicContact NZ-OD2 2.63Å; K924-D926 PolarHBondContact NZ-OD2 2.91Å; K924-D926 PolarHBondContact O-N 2.9Å; K924-D926 VanDerWaalsContact O-N 3.1Å; D926-Q928 WeakPolarHBondContact OD1-CB 3.42Å; D926-Q928 PolarHBondContact OD1-N 2.88Å; D926-Q928 VanDerWaalsContact OD1-N 3.13Å |
| 927 | G | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 95.9 | -6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F897 K924 D925 L929 | F897-G927 WeakPolarHBondContact CA-O 3.24Å; F897-G927 VanDerWaalsContact CB-O 3.22Å; F897-G927 WeakPolarHBondContact CB-O 3.41Å; F897-G927 WeakPolarHBondContact CD2-O 3.28Å; F897-G927 PolarHBondContact N-O 2.82Å; K924-G927 PolarHBondContact O-N 3.1Å; D925-G927 VanDerWaalsContact C-N 3.29Å; D925-G927 PolarHBondContact O-N 3.4Å; G927-L929 PolarHBondContact O-N 3.41Å |
| 928 | Q | 98 | Very high | 91.5 | Very high | 13 Ų | 13 | 19.4 Ų | 19.4 | 6% | 0.061 | 11% | 0.106 | C | C | . | . | trans | -67.5 | 120.1 | 178.2 | -168.6 | 177.1 | 9.9 | 0 | 0 | 111.5 | M833 L896 V923 K924 D926 | M833-Q928 PolarHBondContact O-NE2 2.85Å; M833-Q928 VanDerWaalsContact O-NE2 3.15Å; L896-Q928 HydrophobicContact CD1-CB 4.31Å; L896-Q928 HydrophobicContact CD1-CG 4.32Å; L896-Q928 HydrophobicContact CD2-CB 3.89Å; L896-Q928 HydrophobicContact CG-CB 3.95Å; L896-Q928 HydrophobicContact CG-CG 4.48Å; V923-Q928 WeakPolarHBondContact CA-O 3.41Å; K924-Q928 HydrophobicContact CB-CB 4.25Å; K924-Q928 HydrophobicContact CD-CB 4.22Å; K924-Q928 PolarHBondContact N-O 3.06Å; D926-Q928 WeakPolarHBondContact OD1-CB 3.42Å; D926-Q928 PolarHBondContact OD1-N 2.88Å; D926-Q928 VanDerWaalsContact OD1-N 3.13Å | ||
| 929 | L | 97.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 141.3 | 173.6 | -177.8 | 147.7 | 0 | 0 | 0 | 110.3 | F897 S900 Y904 I921 M922 V923 G927 F960 | F897-L929 HydrophobicContact CD2-CB 4.21Å; F897-L929 HydrophobicContact CD2-CD1 4.46Å; F897-L929 HydrophobicContact CE2-CB 4.16Å; F897-L929 HydrophobicContact CE2-CD1 3.63Å; F897-L929 HydrophobicContact CZ-CD1 3.67Å; S900-L929 WeakPolarHBondContact CB-O 3.43Å; S900-L929 PolarHBondContact OG-N 2.98Å; Y904-L929 HydrophobicContact CD2-CD2 4.22Å; Y904-L929 WeakPolarHBondContact CE2-O 3.46Å; Y904-L929 HydrophobicContact CG-CD2 4.39Å; I921-L929 HydrophobicContact CG2-CD1 4.04Å; I921-L929 HydrophobicContact CG2-CD2 4.31Å; I921-L929 HydrophobicContact CG2-CG 4.09Å; M922-L929 WeakPolarHBondContact O-CA 3.44Å; V923-L929 HydrophobicContact CG2-CB 4.36Å; V923-L929 HydrophobicContact CG2-CD1 4.31Å; V923-L929 HydrophobicContact CG2-CG 4.35Å; G927-L929 PolarHBondContact O-N 3.41Å; L929-F960 HydrophobicContact CD1-CE1 4.4Å; L929-F960 HydrophobicContact CD1-CZ 4.46Å |
| 930 | F | 97.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 158.4 | 172.1 | 68.1 | -76 | 0 | 0 | 0 | 112.2 | L834 Y836 V851 Y904 M922 K924 I932 | L834-F930 HydrophobicContact CB-CB 3.75Å; L834-F930 HydrophobicContact CB-CD2 4.5Å; L834-F930 HydrophobicContact CB-CG 4.08Å; L834-F930 HydrophobicContact CD1-CD1 3.95Å; L834-F930 HydrophobicContact CD1-CE1 4.26Å; L834-F930 HydrophobicContact CD1-CG 4.09Å; Y836-F930 HydrophobicContact CD1-CD2 4.43Å; V851-F930 HydrophobicContact CB-CE2 4.17Å; V851-F930 HydrophobicContact CB-CZ 3.76Å; V851-F930 HydrophobicContact CG1-CE1 4.07Å; V851-F930 HydrophobicContact CG1-CE2 4.46Å; V851-F930 HydrophobicContact CG1-CZ 3.79Å; V851-F930 HydrophobicContact CG2-CE2 3.89Å; V851-F930 HydrophobicContact CG2-CZ 4Å; Y904-F930 VanDerWaalsContact CE2-CA 3.46Å; Y904-F930 HydrophobicContact CE2-CB 3.69Å; Y904-F930 WeakPolarHBondContact OH-CB 3.17Å; M922-F930 HydrophobicContact CB-CD1 4.01Å; M922-F930 HydrophobicContact CB-CD2 4.35Å; M922-F930 HydrophobicContact CB-CE1 3.45Å; M922-F930 VanDerWaalsContact CB-CE1 3.45Å; M922-F930 HydrophobicContact CB-CE2 3.85Å; M922-F930 HydrophobicContact CB-CG 4.42Å; M922-F930 HydrophobicContact CB-CZ 3.37Å; M922-F930 HydrophobicContact CE-CZ 4.36Å; M922-F930 HydrophobicContact CG-CE2 4.31Å; M922-F930 HydrophobicContact CG-CZ 4.08Å; M922-F930 PolarHBondContact N-O 2.89Å; M922-F930 PolarHBondContact O-N 3.15Å; M922-F930 VanDerWaalsContact O-O 3.11Å; M922-F930 HydrophobicContact SD-CE2 3.91Å; M922-F930 HydrophobicContact SD-CZ 3.69Å; K924-F930 HydrophobicContact CD-CE1 4.45Å; K924-F930 HydrophobicContact CG-CD1 4.47Å; K924-F930 HydrophobicContact CG-CE1 3.96Å; F930-I932 HydrophobicContact CD2-CG2 3.98Å; F930-I932 HydrophobicContact CE2-CG2 3.62Å |
| 931 | H | 94.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 150.1 | 179 | -67.3 | -170.7 | 0 | 0 | 0 | 110.7 | Y836 Y904 T908 R916 F934 | Y836-H931 WeakPolarHBondContact CE1-O 3.21Å; Y904-H931 HydrophobicContact CD1-CB 3.87Å; Y904-H931 AromaticContact CD1-CD2 3.96Å; Y904-H931 AromaticContact CD1-CG 3.67Å; Y904-H931 AromaticContact CD1-ND1 3.97Å; Y904-H931 HydrophobicContact CE1-CB 3.91Å; T908-H931 VanDerWaalsContact CG2-ND1 3.3Å; T908-H931 WeakPolarHBondContact CG2-ND1 3.4Å; R916-H931 WeakPolarHBondContact CD-ND1 3.29Å; H931-F934 HydrophobicContact CB-CE1 3.65Å; H931-F934 HydrophobicContact CB-CZ 3.75Å; H931-F934 WeakPolarHBondContact O-CE2 3.37Å; H931-F934 WeakPolarHBondContact O-CZ 3.47Å |
| 932 | I | 93.8 | Very high | 87.2 | Confident | 41 Ų | 41 | 29.9 Ų | 29.9 | 21% | 0.21 | 15% | 0.15 | C | C | . | . | trans | -127.5 | 170.6 | 173.1 | 59.9 | 165 | 0 | 0 | 0 | 110.6 | Y836 R916 N920 M922 F930 | Y836-I932 HydrophobicContact CE1-CB 4.48Å; Y836-I932 HydrophobicContact CE1-CG2 3.8Å; Y836-I932 WeakPolarHBondContact OH-CA 3.41Å; R916-I932 PolarHBondContact NH1-O 2.71Å; N920-I932 HydrophobicContact CB-CG1 4.02Å; N920-I932 WeakPolarHBondContact O-CG1 3.27Å; N920-I932 PolarHBondContact O-N 3.08Å; M922-I932 HydrophobicContact CG-CD1 4.14Å; M922-I932 HydrophobicContact CG-CG1 4.31Å; M922-I932 HydrophobicContact CG-CG2 4.36Å; M922-I932 HydrophobicContact SD-CD1 3.76Å; M922-I932 HydrophobicContact SD-CG1 4.32Å; M922-I932 HydrophobicContact SD-CG2 3.86Å; F930-I932 HydrophobicContact CD2-CG2 3.98Å; F930-I932 HydrophobicContact CE2-CG2 3.62Å | ||
| 933 | D | 88.1 | Confident | 84.8 | Confident | 82 Ų | 82 | 36.8 Ų | 36.8 | 44% | 0.439 | 18% | 0.179 | S | C | . | . | trans | 59.3 | 72.2 | 174.3 | -165.8 | 19.9 | 0 | 0 | 0 | 111.9 | R916 N920 | R916-D933 PolarHBondContact NH1-O 2.97Å; R916-D933 PolarHBondContact NH2-O 2.85Å; N920-D933 HydrophobicContact CB-CB 4.27Å | ||
| 934 | F | 87.9 | Confident | 82 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -94 | 8 | -172.5 | -65.2 | -69.9 | 0 | 0 | 0 | 114.1 | D810 T813 L814 I817 Y836 Y904 I913 H931 H936 | D810-F934 PolarHBondContact OD1-N 3.48Å; T813-F934 HydrophobicContact CG2-CB 3.79Å; T813-F934 HydrophobicContact CG2-CD1 3.67Å; T813-F934 HydrophobicContact CG2-CD2 4.15Å; T813-F934 HydrophobicContact CG2-CE1 4.23Å; T813-F934 HydrophobicContact CG2-CG 3.62Å; L814-F934 HydrophobicContact CD2-CD2 4.31Å; L814-F934 HydrophobicContact CD2-CE2 3.73Å; L814-F934 HydrophobicContact CG-CD2 4.19Å; L814-F934 HydrophobicContact CG-CE2 4.11Å; I817-F934 HydrophobicContact CD1-CE1 3.97Å; I817-F934 HydrophobicContact CD1-CE2 4.29Å; I817-F934 HydrophobicContact CD1-CZ 3.7Å; Y836-F934 HydrophobicContact CE1-CE2 4.01Å; Y836-F934 WeakPolarHBondContact OH-CE2 3.37Å; Y904-F934 HydrophobicContact CE1-CZ 4.31Å; I913-F934 HydrophobicContact CD1-CD1 3.84Å; I913-F934 HydrophobicContact CD1-CE1 4.15Å; I913-F934 HydrophobicContact CG1-CD1 4.49Å; I913-F934 HydrophobicContact CG2-CD1 3.9Å; H931-F934 HydrophobicContact CB-CE1 3.65Å; H931-F934 HydrophobicContact CB-CZ 3.75Å; H931-F934 WeakPolarHBondContact O-CE2 3.37Å; H931-F934 WeakPolarHBondContact O-CZ 3.47Å; F934-H936 CarbonylContact O-C 3.49Å; F934-H936 PolarHBondContact O-N 3.46Å | ||
| 935 | G | 75.1 | Confident | 79.1 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | trans | -61.3 | 16.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | Q809 D810 | Q809-G935 VanDerWaalsContact OE1-C 3.3Å; Q809-G935 PolarHBondContact OE1-O 3.3Å; D810-G935 PolarHBondContact OD2-N 2.93Å | ||
| 936 | H | 82.4 | Confident | 76.3 | Confident | 57 Ų | 57 | 51 Ų | 51 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | trans | -141.7 | 130.8 | 164.6 | -56.6 | -70.1 | 0 | 0 | 0 | 111.6 | F934 K942 E1012 | F934-H936 CarbonylContact O-C 3.49Å; F934-H936 PolarHBondContact O-N 3.46Å; H936-K942 WeakPolarHBondContact NE2-CE 3.3Å; H936-K942 PolarHBondContact NE2-NZ 2.85Å; H936-E1012 WeakPolarHBondContact CA-OE2 3.4Å; H936-E1012 IonicContact CE1-OE1 3.69Å; H936-E1012 IonicContact CG-OE1 2.69Å; H936-E1012 IonicContact ND1-OE1 2.77Å; H936-E1012 PolarHBondContact ND1-OE1 2.87Å | ||
| 937 | F | 87.1 | Confident | 73.7 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | trans | -140.1 | 170.2 | 177 | 62.3 | -77.8 | 0 | 0 | 0 | 112.6 | Q809 L812 D939 H940 F1002 M1010 E1012 L1013 | Q809-F937 HydrophobicContact CB-CD1 4.15Å; Q809-F937 HydrophobicContact CB-CE1 3.7Å; Q809-F937 HydrophobicContact CG-CD1 4.49Å; Q809-F937 HydrophobicContact CG-CE1 3.74Å; L812-F937 HydrophobicContact CD2-CE2 4.42Å; L812-F937 HydrophobicContact CD2-CZ 4.29Å; F937-D939 PolarHBondContact O-N 2.95Å; F937-H940 PolarHBondContact O-N 3.13Å; F937-H940 PolarHBondContact O-ND1 2.7Å; F937-H940 VanDerWaalsContact O-ND1 3.13Å; F937-F1002 AromaticContact CD2-CE1 3.68Å; F937-F1002 HydrophobicContact CD2-CE1 3.68Å; F937-F1002 HydrophobicContact CD2-CZ 4.34Å; F937-F1002 HydrophobicContact CE2-CD1 4.02Å; F937-F1002 AromaticContact CE2-CE1 3.47Å; F937-F1002 HydrophobicContact CE2-CE1 3.47Å; F937-F1002 VanDerWaalsContact CE2-CE1 3.47Å; F937-F1002 HydrophobicContact CZ-CE1 4.46Å; F937-M1010 HydrophobicContact CZ-CE 4.43Å; F937-M1010 HydrophobicContact CZ-SD 4.37Å; F937-E1012 HydrophobicContact CE1-CB 4.45Å; F937-E1012 HydrophobicContact CZ-CB 4.5Å; F937-E1012 PolarHBondContact N-OE2 3.21Å; F937-L1013 HydrophobicContact CE2-CB 4.42Å; F937-L1013 HydrophobicContact CZ-CB 4.25Å | ||
| 938 | L | 85.5 | Confident | 71.4 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 37.9 | 178.9 | -53 | 168 | 0 | 0 | 0 | 116.1 | L911 H940 F1002 L1013 D1018 Y1021 I1022 | L911-L938 PolarHBondContact O-N 3.01Å; L938-H940 VanDerWaalsContact C-N 3.27Å; L938-H940 PolarHBondContact O-N 3.39Å; L938-F1002 HydrophobicContact CD1-CD1 4.34Å; L938-F1002 HydrophobicContact CD1-CE1 4.45Å; L938-L1013 HydrophobicContact CD1-CD1 3.94Å; L938-D1018 HydrophobicContact CD1-CB 4.36Å; L938-Y1021 HydrophobicContact CB-CD1 4.43Å; L938-Y1021 HydrophobicContact CB-CG 4.43Å; L938-Y1021 HydrophobicContact CD2-CD1 3.98Å; L938-Y1021 HydrophobicContact CD2-CG 4.46Å; L938-I1022 HydrophobicContact CD2-CD1 3.78Å; L938-I1022 HydrophobicContact CD2-CG1 3.57Å |
| 939 | D | 71.4 | Confident | 68.7 | Low | 52 Ų | 52 | 66 Ų | 66 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 18.8 | 179.7 | -157.9 | 47 | 0 | 0 | 0 | 115.5 | F937 K941 K948 Y1021 | F937-D939 PolarHBondContact O-N 2.95Å; D939-K941 PolarHBondContact O-N 3.23Å; D939-K941 VanDerWaalsContact OD1-CD 3.3Å; D939-K941 WeakPolarHBondContact OD1-CD 3.48Å; D939-K941 WeakPolarHBondContact OD1-CE 3.36Å; D939-K941 IonicContact OD1-NZ 3.81Å; D939-K941 PolarHBondContact OD1-NZ 2.86Å; D939-K948 IonicContact OD2-NZ 2.84Å; D939-Y1021 HydrophobicContact CB-CD2 3.61Å; D939-Y1021 HydrophobicContact CB-CE2 3.45Å; D939-Y1021 VanDerWaalsContact CB-CE2 3.45Å; D939-Y1021 HydrophobicContact CB-CG 4.46Å |
| 940 | H | 71.6 | Confident | 66.6 | Low | 63 Ų | 63 | 67.4 Ų | 67.4 | 29% | 0.292 | 32% | 0.324 | S | S | . | . | trans | -69.4 | 70.4 | 166.2 | -73.9 | 88.8 | 0 | 0 | 0 | 111.5 | F937 L938 E1012 D1018 | F937-H940 PolarHBondContact O-N 3.13Å; F937-H940 PolarHBondContact O-ND1 2.7Å; F937-H940 VanDerWaalsContact O-ND1 3.13Å; L938-H940 VanDerWaalsContact C-N 3.27Å; L938-H940 PolarHBondContact O-N 3.39Å; H940-E1012 HydrophobicContact CB-CB 4.28Å; H940-E1012 VanDerWaalsContact CB-CD 3.45Å; H940-E1012 HydrophobicContact CB-CG 3.78Å; H940-E1012 WeakPolarHBondContact CB-OE2 3.4Å; H940-E1012 PolarHBondContact CE1-O 2.76Å; H940-E1012 IonicContact CG-OE2 3.91Å; H940-E1012 PolarHBondContact ND1-O 2.81Å; H940-D1018 IonicContact CE1-OD1 2.72Å; H940-D1018 IonicContact NE2-OD1 3.71Å | ||
| 941 | K | 64.6 | Low | 64.3 | Low | 52 Ų | 52 | 76.8 Ų | 76.8 | 23% | 0.226 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 133.8 | -178.2 | -73.4 | 173.8 | 173.6 | 150.3 | 0 | 111.5 | D939 K943 K948 E950 | D939-K941 PolarHBondContact O-N 3.23Å; D939-K941 VanDerWaalsContact OD1-CD 3.3Å; D939-K941 WeakPolarHBondContact OD1-CD 3.48Å; D939-K941 WeakPolarHBondContact OD1-CE 3.36Å; D939-K941 IonicContact OD1-NZ 3.81Å; D939-K941 PolarHBondContact OD1-NZ 2.86Å; K941-K943 PolarHBondContact O-N 3.19Å; K941-K943 VanDerWaalsContact O-N 3.16Å; K941-K948 HydrophobicContact CD-CD 4.45Å; K941-E950 HydrophobicContact CD-CB 4.14Å; K941-E950 WeakPolarHBondContact CD-O 3.42Å; K941-E950 VanDerWaalsContact CE-O 3.28Å; K941-E950 WeakPolarHBondContact CE-O 3.4Å; K941-E950 HydrophobicContact CG-CB 4.43Å; K941-E950 PolarHBondContact NZ-O 2.92Å |
| 942 | K | 53.7 | Low | 62.4 | Low | 96 Ų | 96 | 78.4 Ų | 78.4 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 120 | 166.8 | -74.5 | 177.4 | 179.3 | 148.7 | 0 | 110.1 | H936 R949 | H936-K942 WeakPolarHBondContact NE2-CE 3.3Å; H936-K942 PolarHBondContact NE2-NZ 2.85Å; K942-R949 WeakPolarHBondContact O-CB 3.26Å; K942-R949 PolarHBondContact O-N 3.39Å |
| 943 | K | 46.5 | Very low | 60.5 | Low | 169 Ų | 169 | 78.1 Ų | 78.1 | 74% | 0.735 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 130 | 169.6 | -66.9 | 178 | -177.6 | 171 | 0 | 108.9 | K941 | K941-K943 PolarHBondContact O-N 3.19Å; K941-K943 VanDerWaalsContact O-N 3.16Å |
| 944 | K | 39.1 | Very low | 59.3 | Low | 110 Ų | 110 | 75.3 Ų | 75.3 | 48% | 0.478 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.6 | 171 | -165.9 | -177.1 | -179.9 | -171.3 | 0 | 108.7 | G946 Y947 | K944-G946 PolarHBondContact O-N 3.35Å; K944-Y947 PolarHBondContact N-O 3.33Å; K944-Y947 VanDerWaalsContact N-O 3.14Å; K944-Y947 PolarHBondContact O-N 2.72Å; K944-Y947 VanDerWaalsContact O-N 3.12Å |
| 945 | F | 37.6 | Very low | 58.2 | Low | 181 Ų | 181 | 76.2 Ų | 76.2 | 79% | 0.794 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 33.1 | -176.2 | -54.8 | -66.3 | 0 | 0 | 0 | 114.6 | Y947 | F945-Y947 VanDerWaalsContact C-N 3.25Å; F945-Y947 VanDerWaalsContact O-CD2 3.28Å; F945-Y947 WeakPolarHBondContact O-CD2 3.38Å; F945-Y947 PolarHBondContact O-N 3.11Å |
| 946 | G | 38.4 | Very low | 58.4 | Low | 73 Ų | 73 | 76.1 Ų | 76.1 | 75% | 0.753 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K944 | K944-G946 PolarHBondContact O-N 3.35Š|
| 947 | Y | 39.9 | Very low | 58.4 | Low | 185 Ų | 185 | 73.7 Ų | 73.7 | 73% | 0.725 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 139 | 175.7 | -64.4 | -87.6 | 0 | 0 | 0 | 111.2 | K944 F945 R949 | K944-Y947 PolarHBondContact N-O 3.33Å; K944-Y947 VanDerWaalsContact N-O 3.14Å; K944-Y947 PolarHBondContact O-N 2.72Å; K944-Y947 VanDerWaalsContact O-N 3.12Å; F945-Y947 VanDerWaalsContact C-N 3.25Å; F945-Y947 VanDerWaalsContact O-CD2 3.28Å; F945-Y947 WeakPolarHBondContact O-CD2 3.38Å; F945-Y947 PolarHBondContact O-N 3.11Å; Y947-R949 PolarHBondContact O-N 2.8Å |
| 948 | K | 49.1 | Very low | 58.3 | Low | 121 Ų | 121 | 77.3 Ų | 77.3 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 120.8 | 170.1 | -69.8 | -169.9 | 176.8 | -165.9 | 0 | 108.1 | D939 K941 E950 | D939-K948 IonicContact OD2-NZ 2.84Å; K941-K948 HydrophobicContact CD-CD 4.45Å; K948-E950 VanDerWaalsContact C-N 3.26Å; K948-E950 PolarHBondContact O-N 2.88Å |
| 949 | R | 41.8 | Very low | 58.5 | Low | 73 Ų | 73 | 77 Ų | 77 | 28% | 0.275 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -65.6 | -29.8 | -176.2 | -163.6 | -179.8 | -168.6 | -157.2 | -0.4 | 112.8 | D915 K942 Y947 H1060 | D915-R949 IonicContact OD1-NH1 3.85Å; D915-R949 IonicContact OD2-NH1 3.89Å; K942-R949 WeakPolarHBondContact O-CB 3.26Å; K942-R949 PolarHBondContact O-N 3.39Å; Y947-R949 PolarHBondContact O-N 2.8Å; R949-H1060 PolarHBondContact NH2-CE1 3.43Å; R949-H1060 PolarHBondContact NH2-NE2 3.27Å |
| 950 | E | 52.9 | Low | 59.5 | Low | 32 Ų | 32 | 74.6 Ų | 74.6 | 15% | 0.15 | 35% | 0.346 | C | S | . | . | trans | -119.3 | 119.8 | -171.9 | -72.1 | 158.6 | -146.3 | 0 | 0 | 111.8 | G914 D915 K941 K948 | G914-E950 WeakPolarHBondContact CA-OE2 3.48Å; D915-E950 WeakPolarHBondContact CA-OE1 3.48Å; D915-E950 VanDerWaalsContact CB-OE1 3.31Å; D915-E950 WeakPolarHBondContact CB-OE1 3.49Å; D915-E950 PolarHBondContact N-OE1 2.79Å; D915-E950 PolarHBondContact N-OE2 3.47Å; K941-E950 HydrophobicContact CD-CB 4.14Å; K941-E950 WeakPolarHBondContact CD-O 3.42Å; K941-E950 VanDerWaalsContact CE-O 3.28Å; K941-E950 WeakPolarHBondContact CE-O 3.4Å; K941-E950 HydrophobicContact CG-CB 4.43Å; K941-E950 PolarHBondContact NZ-O 2.92Å; K948-E950 VanDerWaalsContact C-N 3.26Å; K948-E950 PolarHBondContact O-N 2.88Å | ||
| 951 | R | 50.2 | Low | 60.4 | Low | 197 Ų | 197 | 71.7 Ų | 71.7 | 74% | 0.743 | 33% | 0.333 | S | S | * | . | trans | -102.1 | -14.9 | -175.3 | -56.3 | -176.8 | -140.7 | 179.6 | 7 | 113.4 | ||||
| 952 | V | 54.1 | Low | 61.8 | Low | 37 Ų | 37 | 69.4 Ų | 69.4 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | trans | -126.5 | 128.6 | -171.8 | -166.2 | 0 | 0 | 0 | 0 | 110.3 | F954 A1046 | V952-F954 VanDerWaalsContact C-N 3.29Å; V952-F954 WeakPolarHBondContact CG1-O 3.3Å; V952-F954 PolarHBondContact O-N 2.88Å; V952-A1046 VanDerWaalsContact CG1-CA 3.43Å; V952-A1046 HydrophobicContact CG1-CB 3.33Å | ||
| 953 | P | 53.6 | Low | 63.8 | Low | 35 Ų | 35 | 64.9 Ų | 64.9 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -74.6 | -11.9 | -175 | 28.5 | -34.1 | 0 | 0 | 0 | 114.7 | F909 | F909-P953 HydrophobicContact CD2-CB 3.84Å; F909-P953 HydrophobicContact CD2-CG 3.89Å; F909-P953 HydrophobicContact CE2-CB 4.31Å; F909-P953 HydrophobicContact CE2-CG 4.06Å |
| 954 | F | 62.9 | Low | 66.1 | Low | 22 Ų | 22 | 56.9 Ų | 56.9 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -151.3 | 145.9 | 171 | 174.6 | -110.6 | 0 | 0 | 0 | 111.2 | C905 T908 V952 L956 | C905-F954 HydrophobicContact CB-CD1 4.14Å; C905-F954 HydrophobicContact CB-CD2 4.43Å; C905-F954 HydrophobicContact CB-CE1 3.87Å; C905-F954 HydrophobicContact CB-CE2 4.21Å; C905-F954 HydrophobicContact CB-CG 4.42Å; C905-F954 HydrophobicContact CB-CZ 3.94Å; C905-F954 WeakPolarHBondContact SG-CE1 3.22Å; C905-F954 WeakPolarHBondContact SG-CZ 3.44Å; T908-F954 WeakPolarHBondContact OG1-CD2 3.47Å; V952-F954 VanDerWaalsContact C-N 3.29Å; V952-F954 WeakPolarHBondContact CG1-O 3.3Å; V952-F954 PolarHBondContact O-N 2.88Å; F954-L956 HydrophobicContact CD1-CB 4.11Å; F954-L956 HydrophobicContact CE1-CB 3.58Å; F954-L956 HydrophobicContact CE1-CD1 4.03Å; F954-L956 HydrophobicContact CE1-CG 4.28Å; F954-L956 HydrophobicContact CZ-CB 4.47Å; F954-L956 HydrophobicContact CZ-CD1 4.4Å |
| 955 | V | 65.8 | Low | 68.8 | Low | 20 Ų | 20 | 51.7 Ų | 51.7 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | trans | -110.6 | 86.7 | -176 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | R916 T957 T1053 W1057 | R916-V955 HydrophobicContact CB-CG2 4.4Å; V955-T957 HydrophobicContact CG1-CG2 3.39Å; V955-T957 PolarHBondContact O-N 3.07Å; V955-T1053 HydrophobicContact CG1-CG2 3.88Å; V955-T1053 HydrophobicContact CG2-CG2 4.1Å; V955-W1057 HydrophobicContact CG1-CZ2 4.05Å | ||
| 956 | L | 78.5 | Confident | 71.5 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | trans | -86 | 90.9 | 169.8 | -166.6 | 56.7 | 0 | 0 | 0 | 110.1 | F954 F960 L961 I964 F977 F980 | F954-L956 HydrophobicContact CD1-CB 4.11Å; F954-L956 HydrophobicContact CE1-CB 3.58Å; F954-L956 HydrophobicContact CE1-CD1 4.03Å; F954-L956 HydrophobicContact CE1-CG 4.28Å; F954-L956 HydrophobicContact CZ-CB 4.47Å; F954-L956 HydrophobicContact CZ-CD1 4.4Å; L956-F960 HydrophobicContact CD1-CB 4.01Å; L956-F960 HydrophobicContact CD1-CD2 4.34Å; L956-L961 HydrophobicContact CD1-CD2 4.29Å; L956-L961 HydrophobicContact CD2-CD2 3.62Å; L956-L961 HydrophobicContact CD2-CG 4.46Å; L956-L961 HydrophobicContact CG-CD2 3.79Å; L956-L961 HydrophobicContact CG-CG 4.14Å; L956-I964 HydrophobicContact CD1-CD1 4.43Å; L956-F977 HydrophobicContact CD2-CE2 3.97Å; L956-F977 HydrophobicContact CD2-CZ 4.49Å; L956-F980 HydrophobicContact CD1-CZ 4.16Å; L956-F980 HydrophobicContact CD2-CE1 3.8Å; L956-F980 HydrophobicContact CD2-CZ 4.17Å | ||
| 957 | T | 82.2 | Confident | 73.9 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | trans | -81.4 | 161.8 | -177.6 | 61.7 | 0 | 0 | 0 | 0 | 113.6 | V955 D959 F960 L961 W1057 | V955-T957 HydrophobicContact CG1-CG2 3.39Å; V955-T957 PolarHBondContact O-N 3.07Å; T957-D959 PolarHBondContact O-N 2.81Å; T957-F960 PolarHBondContact O-N 3.01Å; T957-L961 PolarHBondContact O-N 3.29Å; T957-L961 VanDerWaalsContact O-N 3.09Å; T957-W1057 HydrophobicContact CG2-CH2 3.12Å; T957-W1057 HydrophobicContact CG2-CZ2 3.6Å; T957-W1057 HydrophobicContact CG2-CZ3 4.02Å | ||
| 958 | Q | 84.9 | Confident | 76.2 | Confident | 77 Ų | 77 | 39 Ų | 39 | 36% | 0.36 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -52.8 | -36.5 | 173.6 | -168.5 | 62.3 | 26.6 | 0 | 0 | 112.2 | F960 L961 I962 C971 | Q958-F960 VanDerWaalsContact C-N 3.28Å; Q958-F960 PolarHBondContact O-N 2.53Å; Q958-L961 PolarHBondContact O-N 3.29Å; Q958-I962 HydrophobicContact CG-CD1 3.89Å; Q958-I962 HydrophobicContact CG-CG1 4.3Å; Q958-I962 WeakPolarHBondContact O-CD1 3.23Å; Q958-I962 VanDerWaalsContact O-CG1 3.22Å; Q958-I962 WeakPolarHBondContact O-CG1 3.37Å; Q958-I962 PolarHBondContact O-N 3.47Å; Q958-C971 PolarHBondContact NE2-SG 2.94Å; Q958-C971 VanDerWaalsContact NE2-SG 3.36Å |
| 959 | D | 89 | Confident | 77.7 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.9 | -39.5 | 177.5 | -63.5 | -130.8 | 0 | 0 | 0 | 111.9 | Q861 S874 T957 V963 | Q861-D959 PolarHBondContact NE2-OD1 2.96Å; S874-D959 WeakPolarHBondContact CB-OD2 3.49Å; S874-D959 PolarHBondContact OG-OD2 3.11Å; T957-D959 PolarHBondContact O-N 2.81Å; D959-V963 WeakPolarHBondContact O-CG2 3.38Å |
| 960 | F | 92.6 | Very high | 79.8 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -77.9 | -39.1 | 177.9 | -56.5 | -20.3 | 0 | 0 | 0 | 111.9 | I857 L877 F897 I921 L929 L956 T957 Q958 I962 V963 I964 | I857-F960 HydrophobicContact CD1-CE1 3.94Å; I857-F960 HydrophobicContact CG1-CE1 4.06Å; I857-F960 HydrophobicContact CG1-CZ 4.31Å; L877-F960 HydrophobicContact CD2-CD1 3.68Å; L877-F960 HydrophobicContact CD2-CE1 3.9Å; F897-F960 HydrophobicContact CE1-CB 4.25Å; F897-F960 HydrophobicContact CZ-CB 4.22Å; F897-F960 AromaticContact CZ-CD1 3.88Å; F897-F960 HydrophobicContact CZ-CD1 3.88Å; F897-F960 HydrophobicContact CZ-CG 4.24Å; I921-F960 HydrophobicContact CD1-CE2 4.08Å; I921-F960 HydrophobicContact CD1-CZ 3.88Å; I921-F960 HydrophobicContact CG2-CZ 4.06Å; L929-F960 HydrophobicContact CD1-CE1 4.4Å; L929-F960 HydrophobicContact CD1-CZ 4.46Å; L956-F960 HydrophobicContact CD1-CB 4.01Å; L956-F960 HydrophobicContact CD1-CD2 4.34Å; T957-F960 PolarHBondContact O-N 3.01Å; Q958-F960 VanDerWaalsContact C-N 3.28Å; Q958-F960 PolarHBondContact O-N 2.53Å; F960-I962 VanDerWaalsContact C-N 3.32Å; F960-I962 PolarHBondContact O-N 3.16Å; F960-V963 WeakPolarHBondContact O-CB 3.36Å; F960-V963 PolarHBondContact O-N 2.85Å; F960-V963 VanDerWaalsContact O-N 3.15Å; F960-I964 WeakPolarHBondContact O-CG1 3.44Å; F960-I964 PolarHBondContact O-N 2.79Å |
| 961 | L | 91.3 | Very high | 81.3 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 177.4 | -68.2 | 176.5 | 0 | 0 | 0 | 111.9 | L956 T957 Q958 V963 I964 S965 C971 F977 H1047 | L956-L961 HydrophobicContact CD1-CD2 4.29Å; L956-L961 HydrophobicContact CD2-CD2 3.62Å; L956-L961 HydrophobicContact CD2-CG 4.46Å; L956-L961 HydrophobicContact CG-CD2 3.79Å; L956-L961 HydrophobicContact CG-CG 4.14Å; T957-L961 PolarHBondContact O-N 3.29Å; T957-L961 VanDerWaalsContact O-N 3.09Å; Q958-L961 PolarHBondContact O-N 3.29Å; L961-V963 VanDerWaalsContact C-N 3.28Å; L961-V963 PolarHBondContact O-N 2.97Å; L961-I964 PolarHBondContact O-N 2.7Å; L961-S965 VanDerWaalsContact O-CB 3.26Å; L961-S965 WeakPolarHBondContact O-CB 3.29Å; L961-S965 PolarHBondContact O-N 2.88Å; L961-S965 PolarHBondContact O-OG 3.32Å; L961-C971 HydrophobicContact CB-CB 3.85Å; L961-F977 HydrophobicContact CD2-CD2 3.76Å; L961-F977 HydrophobicContact CD2-CE2 3.41Å; L961-F977 VanDerWaalsContact CD2-CE2 3.41Å; L961-F977 HydrophobicContact CD2-CZ 4.3Å; L961-H1047 VanDerWaalsContact CD1-CE1 3.48Å; L961-H1047 WeakPolarHBondContact CD1-CE1 3.41Å |
| 962 | I | 93.8 | Very high | 82.8 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 176.1 | -70.6 | 166.8 | 0 | 0 | 0 | 110.7 | S874 H878 Q958 F960 S965 K966 G967 | S874-I962 WeakPolarHBondContact O-CD1 3.46Å; H878-I962 HydrophobicContact CB-CG2 3.78Å; Q958-I962 HydrophobicContact CG-CD1 3.89Å; Q958-I962 HydrophobicContact CG-CG1 4.3Å; Q958-I962 WeakPolarHBondContact O-CD1 3.23Å; Q958-I962 VanDerWaalsContact O-CG1 3.22Å; Q958-I962 WeakPolarHBondContact O-CG1 3.37Å; Q958-I962 PolarHBondContact O-N 3.47Å; F960-I962 VanDerWaalsContact C-N 3.32Å; F960-I962 PolarHBondContact O-N 3.16Å; I962-S965 PolarHBondContact O-OG 3.32Å; I962-K966 PolarHBondContact O-N 3.21Å; I962-G967 PolarHBondContact O-N 3.43Å |
| 963 | V | 95.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.9 | -51.2 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | L877 H878 L881 I894 F897 D959 F960 L961 S965 K966 | L877-V963 HydrophobicContact CB-CG2 4.45Å; L877-V963 HydrophobicContact CD2-CG2 3.93Å; L877-V963 HydrophobicContact CG-CG2 3.9Å; H878-V963 HydrophobicContact CB-CG2 3.88Å; L881-V963 HydrophobicContact CD1-CG1 3.58Å; L881-V963 HydrophobicContact CD1-CG2 4.18Å; I894-V963 HydrophobicContact CD1-CG1 3.61Å; I894-V963 WeakPolarHBondContact CG2-O 3.49Å; F897-V963 HydrophobicContact CB-CG1 4.13Å; F897-V963 HydrophobicContact CD1-CB 3.93Å; F897-V963 HydrophobicContact CD1-CG1 3.37Å; F897-V963 HydrophobicContact CD2-CG1 4.04Å; F897-V963 HydrophobicContact CE1-CB 3.73Å; F897-V963 HydrophobicContact CE1-CG1 3.69Å; F897-V963 HydrophobicContact CE1-CG2 4.39Å; F897-V963 HydrophobicContact CE2-CG1 4.3Å; F897-V963 HydrophobicContact CG-CG1 3.57Å; F897-V963 HydrophobicContact CZ-CB 4.14Å; F897-V963 HydrophobicContact CZ-CG1 4.15Å; F897-V963 HydrophobicContact CZ-CG2 4.3Å; D959-V963 WeakPolarHBondContact O-CG2 3.38Å; F960-V963 WeakPolarHBondContact O-CB 3.36Å; F960-V963 PolarHBondContact O-N 2.85Å; F960-V963 VanDerWaalsContact O-N 3.15Å; L961-V963 VanDerWaalsContact C-N 3.28Å; L961-V963 PolarHBondContact O-N 2.97Å; V963-S965 VanDerWaalsContact C-N 3.29Å; V963-S965 PolarHBondContact O-N 3.05Å; V963-K966 PolarHBondContact O-N 3.02Å; V963-K966 VanDerWaalsContact O-N 3.15Å |
| 964 | I | 95.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | -179.3 | -67.4 | 165.1 | 0 | 0 | 0 | 110.7 | F897 T898 L956 F960 L961 K966 E976 F980 | F897-I964 HydrophobicContact CD1-CG1 4.21Å; F897-I964 HydrophobicContact CE1-CG1 4.2Å; T898-I964 HydrophobicContact CG2-CG1 4.42Å; T898-I964 HydrophobicContact CG2-CG2 4.17Å; L956-I964 HydrophobicContact CD1-CD1 4.43Å; F960-I964 WeakPolarHBondContact O-CG1 3.44Å; F960-I964 PolarHBondContact O-N 2.79Å; L961-I964 PolarHBondContact O-N 2.7Å; I964-K966 VanDerWaalsContact C-N 3.25Å; I964-K966 PolarHBondContact O-N 3.38Å; I964-E976 HydrophobicContact CG2-CB 4.45Å; I964-E976 VanDerWaalsContact O-CB 3.26Å; I964-E976 WeakPolarHBondContact O-CB 3.41Å; I964-F980 HydrophobicContact CD1-CD1 4.46Å; I964-F980 HydrophobicContact CD1-CD2 3.85Å; I964-F980 HydrophobicContact CD1-CE2 3.89Å; I964-F980 HydrophobicContact CD1-CG 4.12Å; I964-F980 HydrophobicContact CD1-CZ 4.23Å; I964-F980 HydrophobicContact CG2-CB 4.09Å |
| 965 | S | 94.5 | Very high | 87.5 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 12.8 | -176.7 | 77.3 | 0 | 0 | 0 | 0 | 114.2 | L961 I962 V963 G967 T968 C971 | L961-S965 VanDerWaalsContact O-CB 3.26Å; L961-S965 WeakPolarHBondContact O-CB 3.29Å; L961-S965 PolarHBondContact O-N 2.88Å; L961-S965 PolarHBondContact O-OG 3.32Å; I962-S965 PolarHBondContact O-OG 3.32Å; V963-S965 VanDerWaalsContact C-N 3.29Å; V963-S965 PolarHBondContact O-N 3.05Å; S965-G967 VanDerWaalsContact C-N 3.25Å; S965-G967 PolarHBondContact O-N 3.07Å; S965-T968 WeakPolarHBondContact CB-OG1 3.03Å; S965-T968 WeakPolarHBondContact O-CG2 3.27Å; S965-T968 PolarHBondContact O-N 2.97Å; S965-T968 PolarHBondContact O-OG1 2.75Å; S965-T968 PolarHBondContact OG-OG1 2.89Å; S965-C971 WeakPolarHBondContact OG-CB 3.45Å; S965-C971 PolarHBondContact OG-SG 2.87Å; S965-C971 VanDerWaalsContact OG-SG 3.36Å |
| 966 | K | 93.9 | Very high | 88.8 | Confident | 85 Ų | 85 | 51.7 Ų | 51.7 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 32 | 178.7 | -57.9 | -174.9 | -178.2 | -166.7 | 0 | 114.6 | D891 I894 I962 V963 I964 | D891-K966 IonicContact OD1-NZ 3.69Å; D891-K966 PolarHBondContact OD1-NZ 2.72Å; I894-K966 HydrophobicContact CG2-CG 4.13Å; I962-K966 PolarHBondContact O-N 3.21Å; V963-K966 PolarHBondContact O-N 3.02Å; V963-K966 VanDerWaalsContact O-N 3.15Å; I964-K966 VanDerWaalsContact C-N 3.25Å; I964-K966 PolarHBondContact O-N 3.38Å |
| 967 | G | 89.3 | Confident | 89.3 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 28% | 0.278 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 12 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I962 S965 | I962-G967 PolarHBondContact O-N 3.43Å; S965-G967 VanDerWaalsContact C-N 3.25Å; S965-G967 PolarHBondContact O-N 3.07Å |
| 968 | T | 89.4 | Confident | 89.6 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 37% | 0.368 | 27% | 0.269 | S | S | . | . | trans | -73.7 | 148.2 | 177.5 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | S965 C971 T974 | S965-T968 WeakPolarHBondContact CB-OG1 3.03Å; S965-T968 WeakPolarHBondContact O-CG2 3.27Å; S965-T968 PolarHBondContact O-N 2.97Å; S965-T968 PolarHBondContact O-OG1 2.75Å; S965-T968 PolarHBondContact OG-OG1 2.89Å; T968-C971 PolarHBondContact O-SG 3.14Å; T968-T974 WeakPolarHBondContact OG1-CG2 3.32Å | ||
| 969 | Q | 79.6 | Confident | 90.1 | Very high | 188 Ų | 188 | 57.3 Ų | 57.3 | 88% | 0.879 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -71 | -45.9 | -177.5 | -69.6 | -177.2 | -2 | 0 | 0 | 112.9 | C971 | Q969-C971 PolarHBondContact O-N 3.19Š|
| 970 | E | 85.4 | Confident | 90.3 | Very high | 119 Ų | 119 | 57.3 Ų | 57.3 | 56% | 0.556 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -91.1 | 68.7 | 175.5 | -64.7 | -163.2 | 164.2 | 0 | 0 | 111.1 | T972 K973 | E970-T972 PolarHBondContact O-N 2.89Å; E970-T972 VanDerWaalsContact O-N 3.1Å; E970-K973 PolarHBondContact O-N 3.33Å; E970-K973 IonicContact OE1-NZ 3.29Å; E970-K973 PolarHBondContact OE1-NZ 3.24Å; E970-K973 WeakPolarHBondContact OE2-CD 3.41Å; E970-K973 WeakPolarHBondContact OE2-CE 3.33Å; E970-K973 IonicContact OE2-NZ 2.71Å; E970-K973 PolarHBondContact OE2-NZ 3.43Å |
| 971 | C | 85.6 | Confident | 90.2 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -56.3 | -33 | -170.8 | -46.1 | 0 | 0 | 0 | 0 | 114.2 | Q958 L961 S965 T968 Q969 K973 T974 F977 | Q958-C971 PolarHBondContact NE2-SG 2.94Å; Q958-C971 VanDerWaalsContact NE2-SG 3.36Å; L961-C971 HydrophobicContact CB-CB 3.85Å; S965-C971 WeakPolarHBondContact OG-CB 3.45Å; S965-C971 PolarHBondContact OG-SG 2.87Å; S965-C971 VanDerWaalsContact OG-SG 3.36Å; T968-C971 PolarHBondContact O-SG 3.14Å; Q969-C971 PolarHBondContact O-N 3.19Å; C971-K973 PolarHBondContact O-N 3.23Å; C971-T974 PolarHBondContact O-OG1 2.98Å; C971-F977 WeakPolarHBondContact O-CB 3.46Å |
| 972 | T | 81.8 | Confident | 90.2 | Very high | 59 Ų | 59 | 63.5 Ų | 63.5 | 36% | 0.362 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -77.3 | -15.5 | -173.1 | 51.2 | 0 | 0 | 0 | 0 | 114.9 | E970 F977 H1047 | E970-T972 PolarHBondContact O-N 2.89Å; E970-T972 VanDerWaalsContact O-N 3.1Å; T972-F977 HydrophobicContact CG2-CE1 4.29Å; T972-F977 WeakPolarHBondContact O-CD1 3.35Å; T972-H1047 VanDerWaalsContact CG2-CE1 3.46Å; T972-H1047 WeakPolarHBondContact CG2-CE1 3.44Å; T972-H1047 WeakPolarHBondContact CG2-NE2 3.3Å |
| 973 | K | 85.4 | Confident | 90.3 | Very high | 147 Ų | 147 | 64.3 Ų | 64.3 | 64% | 0.639 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -100.2 | 17.6 | 178 | -57.2 | -172.3 | -162.5 | 151.7 | 0 | 112.7 | E970 C971 | E970-K973 PolarHBondContact O-N 3.33Å; E970-K973 IonicContact OE1-NZ 3.29Å; E970-K973 PolarHBondContact OE1-NZ 3.24Å; E970-K973 WeakPolarHBondContact OE2-CD 3.41Å; E970-K973 WeakPolarHBondContact OE2-CE 3.33Å; E970-K973 IonicContact OE2-NZ 2.71Å; E970-K973 PolarHBondContact OE2-NZ 3.43Å; C971-K973 PolarHBondContact O-N 3.23Å |
| 974 | T | 90.3 | Very high | 90.3 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 10% | 0.104 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -95.6 | 147.4 | -177.9 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | T968 C971 E976 F977 E978 | T968-T974 WeakPolarHBondContact OG1-CG2 3.32Å; C971-T974 PolarHBondContact O-OG1 2.98Å; T974-E976 PolarHBondContact O-N 3.11Å; T974-F977 PolarHBondContact O-N 2.76Å; T974-F977 VanDerWaalsContact O-N 3.09Å; T974-F977 WeakPolarHBondContact OG1-CB 3.4Å; T974-F977 PolarHBondContact OG1-N 3.48Å; T974-E978 PolarHBondContact O-N 2.92Å; T974-E978 VanDerWaalsContact O-N 3.1Å |
| 975 | R | 92.8 | Very high | 90.2 | Very high | 205 Ų | 205 | 66 Ų | 66 | 77% | 0.774 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.6 | -30.8 | 174.2 | -173.3 | 180 | 176 | -174 | -0.3 | 111.6 | F977 E978 R979 | R975-F977 VanDerWaalsContact C-N 3.33Å; R975-E978 PolarHBondContact O-N 3.26Å; R975-R979 WeakPolarHBondContact O-CB 3.12Å; R975-R979 PolarHBondContact O-N 3.41Å |
| 976 | E | 92.7 | Very high | 90.3 | Very high | 65 Ų | 65 | 71.3 Ų | 71.3 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 174.2 | -69.3 | 74.6 | -169.7 | 0 | 0 | 111.9 | I964 T974 F980 | I964-E976 HydrophobicContact CG2-CB 4.45Å; I964-E976 VanDerWaalsContact O-CB 3.26Å; I964-E976 WeakPolarHBondContact O-CB 3.41Å; T974-E976 PolarHBondContact O-N 3.11Å; E976-F980 PolarHBondContact O-N 3.43Å |
| 977 | F | 90.3 | Very high | 90.4 | Very high | 15 Ų | 15 | 67.2 Ų | 67.2 | 7% | 0.066 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.9 | -40.8 | 176.9 | -174.1 | -108.9 | 0 | 0 | 0 | 112.3 | L956 L961 C971 T972 T974 R975 R979 F980 Q981 | L956-F977 HydrophobicContact CD2-CE2 3.97Å; L956-F977 HydrophobicContact CD2-CZ 4.49Å; L961-F977 HydrophobicContact CD2-CD2 3.76Å; L961-F977 HydrophobicContact CD2-CE2 3.41Å; L961-F977 VanDerWaalsContact CD2-CE2 3.41Å; L961-F977 HydrophobicContact CD2-CZ 4.3Å; C971-F977 WeakPolarHBondContact O-CB 3.46Å; T972-F977 HydrophobicContact CG2-CE1 4.29Å; T972-F977 WeakPolarHBondContact O-CD1 3.35Å; T974-F977 PolarHBondContact O-N 2.76Å; T974-F977 VanDerWaalsContact O-N 3.09Å; T974-F977 WeakPolarHBondContact OG1-CB 3.4Å; T974-F977 PolarHBondContact OG1-N 3.48Å; R975-F977 VanDerWaalsContact C-N 3.33Å; F977-R979 VanDerWaalsContact C-N 3.3Å; F977-R979 PolarHBondContact O-N 3.23Å; F977-F980 AromaticContact CD2-CD1 3.98Å; F977-F980 HydrophobicContact CD2-CD1 3.98Å; F977-F980 AromaticContact CE2-CD1 3.83Å; F977-F980 HydrophobicContact CE2-CD1 3.83Å; F977-F980 HydrophobicContact CE2-CE1 4.08Å; F977-F980 WeakPolarHBondContact O-CB 3.49Å; F977-F980 PolarHBondContact O-N 3.3Å; F977-F980 VanDerWaalsContact O-N 3.12Å; F977-Q981 HydrophobicContact CD1-CG 4.32Å; F977-Q981 VanDerWaalsContact CE1-CD 3.5Å; F977-Q981 HydrophobicContact CE1-CG 3.96Å; F977-Q981 HydrophobicContact CZ-CG 4.1Å; F977-Q981 WeakPolarHBondContact O-CG 3.41Å; F977-Q981 PolarHBondContact O-N 3.2Å |
| 978 | E | 88.8 | Confident | 90.8 | Very high | 107 Ų | 107 | 66 Ų | 66 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.8 | -45.6 | 172.1 | -69.4 | 176.2 | 169.4 | 0 | 0 | 111.1 | T974 R975 F980 Q981 E982 | T974-E978 PolarHBondContact O-N 2.92Å; T974-E978 VanDerWaalsContact O-N 3.1Å; R975-E978 PolarHBondContact O-N 3.26Å; E978-F980 VanDerWaalsContact C-N 3.31Å; E978-F980 PolarHBondContact O-N 3.27Å; E978-Q981 WeakPolarHBondContact O-CB 3.31Å; E978-Q981 PolarHBondContact O-N 3.45Å; E978-Q981 VanDerWaalsContact O-N 3.17Å; E978-E982 PolarHBondContact O-N 2.84Å |
| 979 | R | 93.8 | Very high | 91.2 | Very high | 92 Ų | 92 | 64.4 Ų | 64.4 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 176 | -168.9 | -174.4 | 70.9 | 143.4 | 7.2 | 112.2 | D895 R975 F977 E982 M983 | D895-R979 IonicContact OD1-CZ 3.91Å; D895-R979 IonicContact OD1-NH1 2.68Å; D895-R979 PolarHBondContact OD1-NH1 3.07Å; D895-R979 IonicContact OD1-NH2 3.51Å; D895-R979 PolarHBondContact OD1-NH2 3.12Å; R975-R979 WeakPolarHBondContact O-CB 3.12Å; R975-R979 PolarHBondContact O-N 3.41Å; F977-R979 VanDerWaalsContact C-N 3.3Å; F977-R979 PolarHBondContact O-N 3.23Å; R979-E982 PolarHBondContact O-N 2.94Å; R979-M983 HydrophobicContact CG-CE 4.12Å; R979-M983 WeakPolarHBondContact O-CG 3.47Å; R979-M983 PolarHBondContact O-N 3.17Å; R979-M983 VanDerWaalsContact O-N 3.09Å |
| 980 | F | 94.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.8 | 164.7 | -95.6 | 0 | 0 | 0 | 112 | T898 C901 A902 C905 L956 I964 E976 F977 E978 M983 C984 | T898-F980 HydrophobicContact CG2-CB 3.81Å; T898-F980 HydrophobicContact CG2-CD2 3.9Å; T898-F980 HydrophobicContact CG2-CG 4.33Å; C901-F980 HydrophobicContact CB-CE2 4.17Å; A902-F980 HydrophobicContact CB-CD2 3.96Å; A902-F980 HydrophobicContact CB-CE2 3.91Å; C905-F980 VanDerWaalsContact SG-CZ 3.55Å; L956-F980 HydrophobicContact CD1-CZ 4.16Å; L956-F980 HydrophobicContact CD2-CE1 3.8Å; L956-F980 HydrophobicContact CD2-CZ 4.17Å; I964-F980 HydrophobicContact CD1-CD1 4.46Å; I964-F980 HydrophobicContact CD1-CD2 3.85Å; I964-F980 HydrophobicContact CD1-CE2 3.89Å; I964-F980 HydrophobicContact CD1-CG 4.12Å; I964-F980 HydrophobicContact CD1-CZ 4.23Å; I964-F980 HydrophobicContact CG2-CB 4.09Å; E976-F980 PolarHBondContact O-N 3.43Å; F977-F980 AromaticContact CD2-CD1 3.98Å; F977-F980 HydrophobicContact CD2-CD1 3.98Å; F977-F980 AromaticContact CE2-CD1 3.83Å; F977-F980 HydrophobicContact CE2-CD1 3.83Å; F977-F980 HydrophobicContact CE2-CE1 4.08Å; F977-F980 WeakPolarHBondContact O-CB 3.49Å; F977-F980 PolarHBondContact O-N 3.3Å; F977-F980 VanDerWaalsContact O-N 3.12Å; E978-F980 VanDerWaalsContact C-N 3.31Å; E978-F980 PolarHBondContact O-N 3.27Å; F980-M983 WeakPolarHBondContact O-CB 3.38Å; F980-M983 PolarHBondContact O-N 3.1Å; F980-C984 PolarHBondContact O-N 3.19Å; F980-C984 VanDerWaalsContact O-N 3.08Å; F980-C984 PolarHBondContact O-SG 2.89Å |
| 981 | Q | 90.4 | Very high | 92.7 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 16% | 0.159 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 175.6 | -73.3 | -177.8 | -62.9 | 0 | 0 | 111.3 | F977 E978 M983 C984 Y985 M1043 | F977-Q981 HydrophobicContact CD1-CG 4.32Å; F977-Q981 VanDerWaalsContact CE1-CD 3.5Å; F977-Q981 HydrophobicContact CE1-CG 3.96Å; F977-Q981 HydrophobicContact CZ-CG 4.1Å; F977-Q981 WeakPolarHBondContact O-CG 3.41Å; F977-Q981 PolarHBondContact O-N 3.2Å; E978-Q981 WeakPolarHBondContact O-CB 3.31Å; E978-Q981 PolarHBondContact O-N 3.45Å; E978-Q981 VanDerWaalsContact O-N 3.17Å; Q981-M983 VanDerWaalsContact C-N 3.28Å; Q981-M983 PolarHBondContact O-N 2.94Å; Q981-C984 WeakPolarHBondContact O-CB 3.5Å; Q981-C984 PolarHBondContact O-N 3.12Å; Q981-Y985 HydrophobicContact CB-CE1 4.35Å; Q981-Y985 HydrophobicContact CB-CE2 3.82Å; Q981-Y985 PolarHBondContact NE2-OH 3.2Å; Q981-Y985 VanDerWaalsContact O-CD1 3.32Å; Q981-Y985 WeakPolarHBondContact O-CD1 3.46Å; Q981-Y985 WeakPolarHBondContact O-CD2 3.47Å; Q981-Y985 PolarHBondContact O-N 3.23Å; Q981-M1043 HydrophobicContact CG-SD 4.3Å |
| 982 | E | 91.5 | Very high | 93.2 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.7 | -40.5 | 175.5 | -73.3 | -176.9 | -165.9 | 0 | 0 | 112.9 | E978 R979 Y985 K986 | E978-E982 PolarHBondContact O-N 2.84Å; R979-E982 PolarHBondContact O-N 2.94Å; E982-Y985 PolarHBondContact O-N 2.68Å; E982-K986 WeakPolarHBondContact O-CB 3.45Å; E982-K986 WeakPolarHBondContact O-CG 3.46Å; E982-K986 PolarHBondContact O-N 2.83Å; E982-K986 IonicContact OE2-NZ 2.74Å |
| 983 | M | 95.6 | Very high | 93.9 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 174.8 | -72 | -178.8 | -172.2 | 0 | 0 | 111 | L831 R899 A902 R979 F980 Q981 Y985 A987 | L831-M983 HydrophobicContact CD2-CB 4.26Å; L831-M983 HydrophobicContact CD2-CG 4.49Å; L831-M983 HydrophobicContact CD2-SD 4.25Å; R899-M983 HydrophobicContact CG-CE 4.02Å; R899-M983 HydrophobicContact CG-SD 3.93Å; A902-M983 HydrophobicContact CB-CB 3.91Å; R979-M983 HydrophobicContact CG-CE 4.12Å; R979-M983 WeakPolarHBondContact O-CG 3.47Å; R979-M983 PolarHBondContact O-N 3.17Å; R979-M983 VanDerWaalsContact O-N 3.09Å; F980-M983 WeakPolarHBondContact O-CB 3.38Å; F980-M983 PolarHBondContact O-N 3.1Å; Q981-M983 VanDerWaalsContact C-N 3.28Å; Q981-M983 PolarHBondContact O-N 2.94Å; M983-Y985 PolarHBondContact O-N 2.99Å; M983-A987 WeakPolarHBondContact O-CB 3.48Å; M983-A987 PolarHBondContact O-N 2.78Å |
| 984 | C | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -42.1 | 178.5 | -64 | 0 | 0 | 0 | 0 | 111.9 | V906 F980 Q981 A987 Y988 F1039 M1043 | V906-C984 HydrophobicContact CG2-CB 4.01Å; V906-C984 WeakPolarHBondContact CG2-O 3.5Å; F980-C984 PolarHBondContact O-N 3.19Å; F980-C984 VanDerWaalsContact O-N 3.08Å; F980-C984 PolarHBondContact O-SG 2.89Å; Q981-C984 WeakPolarHBondContact O-CB 3.5Å; Q981-C984 PolarHBondContact O-N 3.12Å; C984-A987 PolarHBondContact O-N 3.34Å; C984-Y988 WeakPolarHBondContact O-CB 3.33Å; C984-Y988 PolarHBondContact O-N 2.83Å; C984-F1039 HydrophobicContact CB-CE1 4.08Å; C984-F1039 HydrophobicContact CB-CZ 4.4Å; C984-M1043 HydrophobicContact CB-CE 3.45Å; C984-M1043 VanDerWaalsContact CB-CE 3.45Å |
| 985 | Y | 93.8 | Very high | 94.8 | Very high | 37 Ų | 37 | 49.9 Ų | 49.9 | 15% | 0.145 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -49.3 | 179.9 | -58.5 | -20.1 | 0 | 0 | 0 | 111.7 | Q981 E982 M983 A987 Y988 L989 L1036 F1039 M1040 M1043 | Q981-Y985 HydrophobicContact CB-CE1 4.35Å; Q981-Y985 HydrophobicContact CB-CE2 3.82Å; Q981-Y985 PolarHBondContact NE2-OH 3.2Å; Q981-Y985 VanDerWaalsContact O-CD1 3.32Å; Q981-Y985 WeakPolarHBondContact O-CD1 3.46Å; Q981-Y985 WeakPolarHBondContact O-CD2 3.47Å; Q981-Y985 PolarHBondContact O-N 3.23Å; E982-Y985 PolarHBondContact O-N 2.68Å; M983-Y985 PolarHBondContact O-N 2.99Å; Y985-A987 VanDerWaalsContact C-N 3.32Å; Y985-A987 PolarHBondContact O-N 3.48Å; Y985-Y988 PolarHBondContact O-N 3.44Å; Y985-L989 WeakPolarHBondContact O-CG 3.44Å; Y985-L989 PolarHBondContact O-N 3.46Å; Y985-L989 VanDerWaalsContact O-N 3.1Å; Y985-L1036 HydrophobicContact CD1-CD1 4.1Å; Y985-L1036 HydrophobicContact CG-CD1 3.92Å; Y985-F1039 AromaticContact CD1-CD1 4Å; Y985-F1039 HydrophobicContact CD1-CD1 4Å; Y985-F1039 HydrophobicContact CD1-CE1 4.03Å; Y985-F1039 HydrophobicContact CE1-CD1 4.5Å; Y985-M1040 HydrophobicContact CD1-CG 4.19Å; Y985-M1040 HydrophobicContact CE1-CG 3.65Å; Y985-M1040 HydrophobicContact CE2-CG 4.39Å; Y985-M1043 HydrophobicContact CD1-CE 4.22Å; Y985-M1043 HydrophobicContact CE1-CE 3.8Å; Y985-M1043 HydrophobicContact CE1-SD 4.09Å |
| 986 | K | 95.8 | Very high | 94.9 | Very high | 112 Ų | 112 | 42.8 Ų | 42.8 | 49% | 0.487 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 177 | -70.1 | 173.9 | -178.2 | 165.8 | 0 | 111.5 | L829 E982 A990 | L829-K986 HydrophobicContact CD1-CB 3.89Å; L829-K986 HydrophobicContact CD2-CB 4.1Å; L829-K986 HydrophobicContact CD2-CD 4.18Å; E982-K986 WeakPolarHBondContact O-CB 3.45Å; E982-K986 WeakPolarHBondContact O-CG 3.46Å; E982-K986 PolarHBondContact O-N 2.83Å; E982-K986 IonicContact OE2-NZ 2.74Å; K986-A990 VanDerWaalsContact O-CB 3.3Å; K986-A990 WeakPolarHBondContact O-CB 3.5Å; K986-A990 PolarHBondContact O-N 3.4Å |
| 987 | A | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W824 L831 V906 M983 C984 Y985 A990 I991 | W824-A987 HydrophobicContact CZ2-CB 4.1Å; W824-A987 PolarHBondContact NE1-O 3.1Å; L831-A987 HydrophobicContact CD1-CB 3.47Å; L831-A987 VanDerWaalsContact CD1-CB 3.47Å; V906-A987 HydrophobicContact CB-CB 4.42Å; V906-A987 HydrophobicContact CG1-CB 4.31Å; V906-A987 HydrophobicContact CG2-CB 4.04Å; M983-A987 WeakPolarHBondContact O-CB 3.48Å; M983-A987 PolarHBondContact O-N 2.78Å; C984-A987 PolarHBondContact O-N 3.34Å; Y985-A987 VanDerWaalsContact C-N 3.32Å; Y985-A987 PolarHBondContact O-N 3.48Å; A987-A990 PolarHBondContact O-N 3.14Å; A987-I991 WeakPolarHBondContact O-CG1 3.23Å; A987-I991 PolarHBondContact O-N 3.44Å; A987-I991 VanDerWaalsContact O-N 3.11Å |
| 988 | Y | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -48.9 | 177.3 | 171.2 | -98.9 | 0 | 0 | 0 | 111.6 | F909 I910 C984 Y985 A990 I991 R992 T1025 L1026 A1035 F1039 | F909-Y988 HydrophobicContact CE1-CE2 4.06Å; I910-Y988 HydrophobicContact CD1-CD2 4.25Å; I910-Y988 HydrophobicContact CG1-CD2 4.35Å; C984-Y988 WeakPolarHBondContact O-CB 3.33Å; C984-Y988 PolarHBondContact O-N 2.83Å; Y985-Y988 PolarHBondContact O-N 3.44Å; Y988-A990 VanDerWaalsContact C-N 3.34Å; Y988-A990 PolarHBondContact O-N 3.47Å; Y988-I991 PolarHBondContact O-N 3.42Å; Y988-R992 WeakPolarHBondContact O-CB 3.34Å; Y988-R992 PolarHBondContact O-N 3.22Å; Y988-T1025 WeakPolarHBondContact CE2-O 3.17Å; Y988-T1025 PolarHBondContact OH-O 3.1Å; Y988-T1025 VanDerWaalsContact OH-O 3.1Å; Y988-L1026 HydrophobicContact CD2-CD2 4.44Å; Y988-L1026 HydrophobicContact CE2-CD2 4.01Å; Y988-L1026 WeakPolarHBondContact OH-CA 3.46Å; Y988-L1026 PolarHBondContact OH-O 2.84Å; Y988-L1026 VanDerWaalsContact OH-O 3.13Å; Y988-A1035 HydrophobicContact CE1-CB 4.28Å; Y988-A1035 WeakPolarHBondContact CE1-O 3.44Å; Y988-A1035 PolarHBondContact OH-O 2.93Å; Y988-F1039 HydrophobicContact CD1-CB 3.94Å; Y988-F1039 HydrophobicContact CD1-CD1 4.15Å; Y988-F1039 HydrophobicContact CD1-CG 4.06Å; Y988-F1039 HydrophobicContact CD2-CB 4.26Å; Y988-F1039 HydrophobicContact CD2-CD1 4.31Å; Y988-F1039 AromaticContact CD2-CD2 3.81Å; Y988-F1039 HydrophobicContact CD2-CD2 3.81Å; Y988-F1039 HydrophobicContact CD2-CE2 4.23Å; Y988-F1039 AromaticContact CD2-CG 3.87Å; Y988-F1039 HydrophobicContact CD2-CG 3.87Å; Y988-F1039 HydrophobicContact CE1-CB 3.83Å; Y988-F1039 HydrophobicContact CE1-CG 4.37Å; Y988-F1039 HydrophobicContact CE2-CB 4.16Å; Y988-F1039 HydrophobicContact CE2-CD2 4.1Å; Y988-F1039 HydrophobicContact CE2-CG 4.19Å; Y988-F1039 HydrophobicContact CG-CB 4.15Å; Y988-F1039 AromaticContact CG-CD1 3.84Å; Y988-F1039 HydrophobicContact CG-CD1 3.84Å; Y988-F1039 HydrophobicContact CG-CD2 4.18Å; Y988-F1039 HydrophobicContact CG-CE1 4.28Å; Y988-F1039 AromaticContact CG-CG 3.79Å; Y988-F1039 HydrophobicContact CG-CG 3.79Å |
| 989 | L | 97.1 | Very high | 96 | Very high | 28 Ų | 28 | 34.9 Ų | 34.9 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 178.1 | -67.3 | -178.5 | 0 | 0 | 0 | 112.3 | Y985 I991 R992 Q993 E1032 L1036 | Y985-L989 WeakPolarHBondContact O-CG 3.44Å; Y985-L989 PolarHBondContact O-N 3.46Å; Y985-L989 VanDerWaalsContact O-N 3.1Å; L989-I991 VanDerWaalsContact C-N 3.33Å; L989-I991 PolarHBondContact O-N 2.84Å; L989-R992 WeakPolarHBondContact O-CB 3.14Å; L989-R992 PolarHBondContact O-N 3.24Å; L989-Q993 WeakPolarHBondContact O-CG 3.41Å; L989-Q993 PolarHBondContact O-N 3.43Å; L989-E1032 HydrophobicContact CD1-CG 4.44Å; L989-E1032 HydrophobicContact CD2-CG 3.62Å; L989-L1036 HydrophobicContact CD1-CD2 4.42Å; L989-L1036 HydrophobicContact CD2-CB 4.39Å |
| 990 | A | 97.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K986 A987 Y988 H994 | K986-A990 VanDerWaalsContact O-CB 3.3Å; K986-A990 WeakPolarHBondContact O-CB 3.5Å; K986-A990 PolarHBondContact O-N 3.4Å; A987-A990 PolarHBondContact O-N 3.14Å; Y988-A990 VanDerWaalsContact C-N 3.34Å; Y988-A990 PolarHBondContact O-N 3.47Å; A990-H994 PolarHBondContact O-CD2 3.4Å |
| 991 | I | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.2 | -39.7 | 175.8 | -62.2 | -45.3 | 0 | 0 | 0 | 111.4 | M820 I823 W824 I910 A987 Y988 L989 Q993 H994 A995 F998 L1026 | M820-I991 HydrophobicContact CB-CD1 3.83Å; M820-I991 HydrophobicContact CE-CG2 4.14Å; M820-I991 HydrophobicContact CG-CD1 3.68Å; M820-I991 HydrophobicContact CG-CG1 4.2Å; I823-I991 HydrophobicContact CB-CD1 4.43Å; I823-I991 HydrophobicContact CD1-CD1 4.42Å; I823-I991 HydrophobicContact CG2-CD1 4.31Å; W824-I991 HydrophobicContact CZ2-CD1 3.93Å; W824-I991 HydrophobicContact CZ2-CG1 3.63Å; I910-I991 HydrophobicContact CD1-CB 3.89Å; I910-I991 HydrophobicContact CD1-CG1 4.25Å; I910-I991 HydrophobicContact CD1-CG2 3.7Å; A987-I991 WeakPolarHBondContact O-CG1 3.23Å; A987-I991 PolarHBondContact O-N 3.44Å; A987-I991 VanDerWaalsContact O-N 3.11Å; Y988-I991 PolarHBondContact O-N 3.42Å; L989-I991 VanDerWaalsContact C-N 3.33Å; L989-I991 PolarHBondContact O-N 2.84Å; I991-Q993 VanDerWaalsContact C-N 3.3Å; I991-Q993 PolarHBondContact O-N 2.97Å; I991-H994 CarbonylContact O-C 3.56Å; I991-H994 WeakPolarHBondContact O-CA 3.34Å; I991-H994 PolarHBondContact O-N 3.05Å; I991-A995 PolarHBondContact O-N 2.93Å; I991-F998 HydrophobicContact CD1-CE2 4.24Å; I991-F998 HydrophobicContact CD1-CZ 4.07Å; I991-F998 HydrophobicContact CG2-CD2 3.98Å; I991-F998 HydrophobicContact CG2-CE2 3.6Å; I991-F998 HydrophobicContact CG2-CZ 4.13Å; I991-L1026 HydrophobicContact CG2-CD2 4.24Å |
| 992 | R | 97.6 | Very high | 96.7 | Very high | 37 Ų | 37 | 29.1 Ų | 29.1 | 14% | 0.14 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.4 | -40.9 | 178.2 | -172.1 | 179.7 | -175 | -83.1 | -3.3 | 112.7 | Y988 L989 H994 A995 L1026 A1027 L1028 K1030 A1035 | Y988-R992 WeakPolarHBondContact O-CB 3.34Å; Y988-R992 PolarHBondContact O-N 3.22Å; L989-R992 WeakPolarHBondContact O-CB 3.14Å; L989-R992 PolarHBondContact O-N 3.24Å; R992-H994 PolarHBondContact O-N 3.32Å; R992-A995 VanDerWaalsContact O-CB 3.28Å; R992-A995 WeakPolarHBondContact O-CB 3.5Å; R992-A995 PolarHBondContact O-N 2.85Å; R992-L1026 HydrophobicContact CB-CD2 4.22Å; R992-L1026 WeakPolarHBondContact CD-O 3.3Å; R992-L1026 HydrophobicContact CG-CB 4.42Å; R992-L1026 PolarHBondContact NE-O 3.32Å; R992-A1027 PolarHBondContact NH2-O 3.13Å; R992-L1028 HydrophobicContact CG-CD2 4.01Å; R992-K1030 PolarHBondContact NH2-O 2.94Å; R992-A1035 VanDerWaalsContact NE-CB 3.29Å |
| 993 | Q | 96.1 | Very high | 96.9 | Very high | 114 Ų | 114 | 24.3 Ų | 24.3 | 53% | 0.533 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.4 | 176.6 | -71.1 | 172.5 | 1.9 | 0 | 0 | 113.5 | L989 I991 E1032 | L989-Q993 WeakPolarHBondContact O-CG 3.41Å; L989-Q993 PolarHBondContact O-N 3.43Å; I991-Q993 VanDerWaalsContact C-N 3.3Å; I991-Q993 PolarHBondContact O-N 2.97Å; Q993-E1032 PolarHBondContact NE2-OE2 3.26Å; Q993-E1032 VanDerWaalsContact NE2-OE2 3.16Å |
| 994 | H | 97.1 | Very high | 97 | Very high | 73 Ų | 73 | 23.4 Ų | 23.4 | 34% | 0.338 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 18 | 178.5 | -68.8 | -101.5 | 0 | 0 | 0 | 112 | I823 Q827 A990 I991 R992 N996 L997 F998 | I823-H994 HydrophobicContact CD1-CB 3.87Å; Q827-H994 PolarHBondContact NE2-NE2 3.41Å; A990-H994 PolarHBondContact O-CD2 3.4Å; I991-H994 CarbonylContact O-C 3.56Å; I991-H994 WeakPolarHBondContact O-CA 3.34Å; I991-H994 PolarHBondContact O-N 3.05Å; R992-H994 PolarHBondContact O-N 3.32Å; H994-N996 VanDerWaalsContact C-N 3.26Å; H994-N996 PolarHBondContact O-N 3.21Å; H994-L997 WeakPolarHBondContact O-CB 3.48Å; H994-L997 PolarHBondContact O-N 3.36Å; H994-L997 VanDerWaalsContact O-N 3.1Å; H994-F998 HydrophobicContact CB-CE2 4.12Å; H994-F998 VanDerWaalsContact O-CD2 3.3Å; H994-F998 WeakPolarHBondContact O-CD2 3.32Å |
| 995 | A | 96.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.4 | -38.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I991 R992 L997 F998 I999 L1026 L1028 | I991-A995 PolarHBondContact O-N 2.93Å; R992-A995 VanDerWaalsContact O-CB 3.28Å; R992-A995 WeakPolarHBondContact O-CB 3.5Å; R992-A995 PolarHBondContact O-N 2.85Å; A995-L997 VanDerWaalsContact C-N 3.26Å; A995-L997 PolarHBondContact O-N 2.82Å; A995-F998 PolarHBondContact O-N 3.11Å; A995-F998 VanDerWaalsContact O-N 3.1Å; A995-I999 WeakPolarHBondContact O-CG1 3.36Å; A995-I999 PolarHBondContact O-N 3.12Å; A995-L1026 HydrophobicContact CB-CD1 3.76Å; A995-L1028 HydrophobicContact CB-CD1 3.84Å; A995-L1028 HydrophobicContact CB-CD2 3.65Å; A995-L1028 HydrophobicContact CB-CG 4.41Å |
| 996 | N | 96.2 | Very high | 97.1 | Very high | 57 Ų | 57 | 22.3 Ų | 22.3 | 31% | 0.305 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -56.3 | -41.2 | 179.7 | -65.3 | 16.7 | 0 | 0 | 0 | 111.8 | D538 P539 H994 I999 N1000 | D538-N996 WeakPolarHBondContact CA-OD1 3.37Å; P539-N996 HydrophobicContact CG-CB 4.41Å; H994-N996 VanDerWaalsContact C-N 3.26Å; H994-N996 PolarHBondContact O-N 3.21Å; N996-I999 PolarHBondContact O-N 2.9Å; N996-N1000 WeakPolarHBondContact O-CB 3.08Å; N996-N1000 PolarHBondContact O-N 3.08Å; N996-N1000 PolarHBondContact O-ND2 3.44Å |
| 997 | L | 97.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 18 Ų | 18 | 10% | 0.099 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 177.2 | 174.8 | 60.1 | 0 | 0 | 0 | 110.9 | E596 M599 Y631 I819 H994 A995 N1000 L1001 | E596-L997 HydrophobicContact CB-CD1 4.1Å; E596-L997 HydrophobicContact CG-CD1 3.78Å; E596-L997 HydrophobicContact CG-CD2 4.42Å; M599-L997 HydrophobicContact CE-CD1 4.37Å; Y631-L997 HydrophobicContact CE1-CD1 4.41Å; I819-L997 HydrophobicContact CG2-CD2 3.97Å; H994-L997 WeakPolarHBondContact O-CB 3.48Å; H994-L997 PolarHBondContact O-N 3.36Å; H994-L997 VanDerWaalsContact O-N 3.1Å; A995-L997 VanDerWaalsContact C-N 3.26Å; A995-L997 PolarHBondContact O-N 2.82Å; L997-N1000 PolarHBondContact O-N 3.02Å; L997-L1001 HydrophobicContact CD1-CD1 3.91Å; L997-L1001 HydrophobicContact CD1-CD2 4.39Å; L997-L1001 HydrophobicContact CD1-CG 3.97Å; L997-L1001 HydrophobicContact CG-CD1 3.87Å; L997-L1001 HydrophobicContact CG-CG 4.37Å; L997-L1001 WeakPolarHBondContact O-CB 3.44Å; L997-L1001 WeakPolarHBondContact O-CG 3.45Å; L997-L1001 PolarHBondContact O-N 3.07Å |
| 998 | F | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | -179.3 | -64.8 | -75.6 | 0 | 0 | 0 | 111.6 | I816 I819 M820 I823 I991 H994 A995 N1000 L1001 F1002 | I816-F998 HydrophobicContact CD1-CD1 3.99Å; I816-F998 HydrophobicContact CG2-CD1 3.82Å; I816-F998 HydrophobicContact CG2-CE1 3.83Å; I819-F998 HydrophobicContact CB-CE1 4.33Å; I819-F998 HydrophobicContact CG2-CE1 3.89Å; I819-F998 HydrophobicContact CG2-CZ 3.96Å; M820-F998 HydrophobicContact CE-CD1 4.42Å; M820-F998 HydrophobicContact CE-CE1 4.07Å; M820-F998 HydrophobicContact CE-CZ 4.39Å; M820-F998 HydrophobicContact CG-CE1 3.71Å; M820-F998 HydrophobicContact CG-CZ 3.64Å; I823-F998 HydrophobicContact CD1-CE2 3.84Å; I823-F998 HydrophobicContact CD1-CZ 3.69Å; I991-F998 HydrophobicContact CD1-CE2 4.24Å; I991-F998 HydrophobicContact CD1-CZ 4.07Å; I991-F998 HydrophobicContact CG2-CD2 3.98Å; I991-F998 HydrophobicContact CG2-CE2 3.6Å; I991-F998 HydrophobicContact CG2-CZ 4.13Å; H994-F998 HydrophobicContact CB-CE2 4.12Å; H994-F998 VanDerWaalsContact O-CD2 3.3Å; H994-F998 WeakPolarHBondContact O-CD2 3.32Å; A995-F998 PolarHBondContact O-N 3.11Å; A995-F998 VanDerWaalsContact O-N 3.1Å; F998-N1000 PolarHBondContact O-N 2.84Å; F998-L1001 PolarHBondContact O-N 2.97Å; F998-F1002 WeakPolarHBondContact O-CD2 3.26Å; F998-F1002 PolarHBondContact O-N 3.15Å |
| 999 | I | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.9 | -50.8 | 175 | -72.7 | 167.8 | 0 | 0 | 0 | 110.3 | D538 P539 L540 A995 N996 L1001 F1002 S1003 I1019 R1023 L1028 | D538-I999 HydrophobicContact CB-CD1 3.73Å; P539-I999 HydrophobicContact CB-CG2 3.99Å; P539-I999 HydrophobicContact CG-CG2 4Å; L540-I999 HydrophobicContact CD1-CG2 3.81Å; L540-I999 HydrophobicContact CD2-CG2 4.49Å; L540-I999 HydrophobicContact CG-CG2 3.65Å; A995-I999 WeakPolarHBondContact O-CG1 3.36Å; A995-I999 PolarHBondContact O-N 3.12Å; N996-I999 PolarHBondContact O-N 2.9Å; I999-L1001 VanDerWaalsContact C-N 3.33Å; I999-L1001 PolarHBondContact O-N 2.86Å; I999-F1002 PolarHBondContact O-N 2.9Å; I999-F1002 VanDerWaalsContact O-N 3.13Å; I999-S1003 PolarHBondContact O-N 2.79Å; I999-S1003 PolarHBondContact O-OG 3.02Å; I999-I1019 HydrophobicContact CG2-CG2 4.45Å; I999-R1023 HydrophobicContact CD1-CG 4.07Å; I999-L1028 HydrophobicContact CD1-CD1 3.69Å |
| 1000 | N | 97.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 178.1 | -72.2 | -14.6 | 0 | 0 | 0 | 112.1 | P539 E600 N996 L997 F998 F1002 S1003 M1004 | P539-N1000 WeakPolarHBondContact CG-OD1 3.44Å; E600-N1000 PolarHBondContact OE2-ND2 3.26Å; N996-N1000 WeakPolarHBondContact O-CB 3.08Å; N996-N1000 PolarHBondContact O-N 3.08Å; N996-N1000 PolarHBondContact O-ND2 3.44Å; L997-N1000 PolarHBondContact O-N 3.02Å; F998-N1000 PolarHBondContact O-N 2.84Å; N1000-F1002 VanDerWaalsContact C-N 3.3Å; N1000-F1002 PolarHBondContact O-N 3.24Å; N1000-S1003 PolarHBondContact O-N 2.91Å; N1000-M1004 VanDerWaalsContact O-CG 3.24Å; N1000-M1004 WeakPolarHBondContact O-CG 3.44Å; N1000-M1004 PolarHBondContact O-N 3.26Å |
| 1001 | L | 98.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63 | -34.1 | 178.1 | -68.9 | 168.6 | 0 | 0 | 0 | 112.9 | Y631 Q634 I816 I819 L997 F998 I999 M1005 | Y631-L1001 HydrophobicContact CD1-CD2 3.78Å; Y631-L1001 HydrophobicContact CE1-CD2 4.26Å; Y631-L1001 HydrophobicContact CG-CD2 4.49Å; Q634-L1001 HydrophobicContact CG-CB 4.44Å; Q634-L1001 HydrophobicContact CG-CD2 3.77Å; I816-L1001 HydrophobicContact CD1-CB 4.09Å; I816-L1001 HydrophobicContact CD1-CD1 3.8Å; I819-L1001 HydrophobicContact CD1-CD1 3.48Å; I819-L1001 VanDerWaalsContact CD1-CD1 3.48Å; L997-L1001 HydrophobicContact CD1-CD1 3.91Å; L997-L1001 HydrophobicContact CD1-CD2 4.39Å; L997-L1001 HydrophobicContact CD1-CG 3.97Å; L997-L1001 HydrophobicContact CG-CD1 3.87Å; L997-L1001 HydrophobicContact CG-CG 4.37Å; L997-L1001 WeakPolarHBondContact O-CB 3.44Å; L997-L1001 WeakPolarHBondContact O-CG 3.45Å; L997-L1001 PolarHBondContact O-N 3.07Å; F998-L1001 PolarHBondContact O-N 2.97Å; I999-L1001 VanDerWaalsContact C-N 3.33Å; I999-L1001 PolarHBondContact O-N 2.86Å; L1001-M1005 WeakPolarHBondContact O-CG 3.48Å |
| 1002 | F | 97.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -77.1 | -40 | 173.3 | -79 | -76.8 | 0 | 0 | 0 | 111.9 | L812 I816 L911 F937 L938 F998 I999 N1000 M1004 M1005 L1013 I1019 I1022 | L812-F1002 HydrophobicContact CD2-CD1 3.83Å; L812-F1002 HydrophobicContact CD2-CE1 3.59Å; L812-F1002 HydrophobicContact CD2-CZ 4.48Å; L812-F1002 HydrophobicContact CG-CE1 4.14Å; I816-F1002 HydrophobicContact CD1-CE2 4.05Å; I816-F1002 HydrophobicContact CD1-CZ 4.43Å; I816-F1002 HydrophobicContact CG1-CE2 4.23Å; I816-F1002 HydrophobicContact CG1-CZ 4.15Å; L911-F1002 HydrophobicContact CD2-CE2 4.05Å; L911-F1002 HydrophobicContact CD2-CZ 3.97Å; F937-F1002 AromaticContact CD2-CE1 3.68Å; F937-F1002 HydrophobicContact CD2-CE1 3.68Å; F937-F1002 HydrophobicContact CD2-CZ 4.34Å; F937-F1002 HydrophobicContact CE2-CD1 4.02Å; F937-F1002 AromaticContact CE2-CE1 3.47Å; F937-F1002 HydrophobicContact CE2-CE1 3.47Å; F937-F1002 VanDerWaalsContact CE2-CE1 3.47Å; F937-F1002 HydrophobicContact CZ-CE1 4.46Å; L938-F1002 HydrophobicContact CD1-CD1 4.34Å; L938-F1002 HydrophobicContact CD1-CE1 4.45Å; F998-F1002 WeakPolarHBondContact O-CD2 3.26Å; F998-F1002 PolarHBondContact O-N 3.15Å; I999-F1002 PolarHBondContact O-N 2.9Å; I999-F1002 VanDerWaalsContact O-N 3.13Å; N1000-F1002 VanDerWaalsContact C-N 3.3Å; N1000-F1002 PolarHBondContact O-N 3.24Å; F1002-M1004 VanDerWaalsContact C-N 3.31Å; F1002-M1004 PolarHBondContact O-N 2.95Å; F1002-M1005 WeakPolarHBondContact O-CB 3.44Å; F1002-M1005 PolarHBondContact O-N 3.4Å; F1002-L1013 HydrophobicContact CB-CD1 4.49Å; F1002-L1013 HydrophobicContact CD1-CD1 4.32Å; F1002-L1013 HydrophobicContact CD1-CD2 3.94Å; F1002-I1019 HydrophobicContact CB-CD1 3.97Å; F1002-I1019 HydrophobicContact CB-CG1 3.98Å; F1002-I1019 HydrophobicContact CB-CG2 3.98Å; F1002-I1022 HydrophobicContact CD2-CD1 3.24Å; F1002-I1022 HydrophobicContact CE2-CD1 3.23Å; F1002-I1022 HydrophobicContact CG-CD1 4.1Å; F1002-I1022 HydrophobicContact CZ-CD1 4.04Å |
| 1003 | S | 96.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.3 | -42.5 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | I999 N1000 M1005 L1006 | I999-S1003 PolarHBondContact O-N 2.79Å; I999-S1003 PolarHBondContact O-OG 3.02Å; N1000-S1003 PolarHBondContact O-N 2.91Å; S1003-M1005 PolarHBondContact O-N 3.45Å; S1003-M1005 VanDerWaalsContact O-N 3.11Å; S1003-L1006 WeakPolarHBondContact O-CG 3.41Å; S1003-L1006 PolarHBondContact O-N 3.23Å |
| 1004 | M | 98.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.8 | 176.4 | -68.7 | 175.1 | 83.4 | 0 | 0 | 113.6 | M599 D603 Q634 L635 Q637 V638 N1000 F1002 | M599-M1004 HydrophobicContact CB-CE 4.1Å; M599-M1004 HydrophobicContact CB-SD 3.82Å; M599-M1004 HydrophobicContact CG-CE 4.25Å; M599-M1004 HydrophobicContact CG-SD 4.44Å; M599-M1004 HydrophobicContact SD-CE 4.33Å; M599-M1004 HydrophobicContact SD-SD 4.37Å; D603-M1004 HydrophobicContact CB-CG 4.34Å; Q634-M1004 HydrophobicContact CB-CB 3.86Å; Q634-M1004 HydrophobicContact CB-CE 3.71Å; Q634-M1004 HydrophobicContact CB-CG 4.49Å; Q634-M1004 HydrophobicContact CB-SD 3.8Å; Q634-M1004 HydrophobicContact CG-CB 3.97Å; Q634-M1004 HydrophobicContact CG-SD 4.28Å; L635-M1004 HydrophobicContact CD2-CE 4.13Å; Q637-M1004 VanDerWaalsContact CB-O 3.31Å; Q637-M1004 WeakPolarHBondContact CB-O 3.32Å; V638-M1004 HydrophobicContact CB-CE 4.42Å; V638-M1004 HydrophobicContact CG1-CB 3.7Å; V638-M1004 HydrophobicContact CG1-CE 3.57Å; V638-M1004 HydrophobicContact CG1-CG 3.71Å; V638-M1004 HydrophobicContact CG2-CE 3.94Å; N1000-M1004 VanDerWaalsContact O-CG 3.24Å; N1000-M1004 WeakPolarHBondContact O-CG 3.44Å; N1000-M1004 PolarHBondContact O-N 3.26Å; F1002-M1004 VanDerWaalsContact C-N 3.31Å; F1002-M1004 PolarHBondContact O-N 2.95Å |
| 1005 | M | 97.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 3% | 0.025 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -3.3 | -177.2 | -63.6 | -65.4 | -57.6 | 0 | 0 | 113.8 | I633 Q634 Q637 L812 L1001 F1002 S1003 G1007 S1008 M1010 L1013 | I633-M1005 HydrophobicContact CG2-CE 3.68Å; I633-M1005 HydrophobicContact CG2-SD 3.75Å; Q634-M1005 HydrophobicContact CG-CG 4.13Å; Q634-M1005 HydrophobicContact CG-SD 3.96Å; Q637-M1005 HydrophobicContact CB-SD 4.19Å; Q637-M1005 HydrophobicContact CG-CE 3.71Å; Q637-M1005 HydrophobicContact CG-SD 3.44Å; Q637-M1005 WeakPolarHBondContact CG-SD 3.46Å; L812-M1005 HydrophobicContact CD1-CG 4.18Å; L812-M1005 HydrophobicContact CD2-CB 4.36Å; L812-M1005 HydrophobicContact CD2-CG 4.1Å; L1001-M1005 WeakPolarHBondContact O-CG 3.48Å; F1002-M1005 WeakPolarHBondContact O-CB 3.44Å; F1002-M1005 PolarHBondContact O-N 3.4Å; S1003-M1005 PolarHBondContact O-N 3.45Å; S1003-M1005 VanDerWaalsContact O-N 3.11Å; M1005-G1007 VanDerWaalsContact C-N 3.26Å; M1005-G1007 PolarHBondContact O-N 2.97Å; M1005-S1008 WeakPolarHBondContact O-CB 3.31Å; M1005-S1008 PolarHBondContact O-N 2.9Å; M1005-S1008 PolarHBondContact O-OG 3.48Å; M1005-M1010 HydrophobicContact CB-CE 4.01Å; M1005-M1010 HydrophobicContact CE-CE 3.8Å; M1005-L1013 HydrophobicContact CB-CD2 3.52Å |
| 1006 | L | 93.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 19 Ų | 19 | 5% | 0.047 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -57 | -36.2 | -179.6 | -68.7 | 168.7 | 0 | 0 | 0 | 113 | Y641 S1003 S1008 L1013 S1015 F1016 I1019 | Y641-L1006 WeakPolarHBondContact OH-CB 3.48Å; S1003-L1006 WeakPolarHBondContact O-CG 3.41Å; S1003-L1006 PolarHBondContact O-N 3.23Å; L1006-S1008 PolarHBondContact O-N 3.26Å; L1006-L1013 HydrophobicContact CD2-CD1 3.96Å; L1006-L1013 HydrophobicContact CD2-CG 4.02Å; L1006-S1015 VanDerWaalsContact CD2-C 3.5Å; L1006-S1015 WeakPolarHBondContact CD2-O 3.31Å; L1006-F1016 HydrophobicContact CD1-CD1 3.87Å; L1006-F1016 HydrophobicContact CD1-CD2 4.26Å; L1006-F1016 HydrophobicContact CD1-CE1 3.63Å; L1006-F1016 HydrophobicContact CD1-CE2 4.02Å; L1006-F1016 HydrophobicContact CD1-CG 4.2Å; L1006-F1016 HydrophobicContact CD1-CZ 3.7Å; L1006-I1019 HydrophobicContact CD1-CD1 4.17Å; L1006-I1019 HydrophobicContact CD2-CD1 4.02Å; L1006-I1019 HydrophobicContact CG-CD1 4.14Å |
| 1007 | G | 89.3 | Confident | 92 | Very high | 22 Ų | 22 | 22.6 Ų | 22.6 | 23% | 0.227 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -75.9 | 1.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K640 Y641 M1005 G1009 | K640-G1007 WeakPolarHBondContact CD-O 3.32Å; K640-G1007 PolarHBondContact NZ-O 3.44Å; Y641-G1007 PolarHBondContact OH-N 3.21Å; M1005-G1007 VanDerWaalsContact C-N 3.26Å; M1005-G1007 PolarHBondContact O-N 2.97Å; G1007-G1009 VanDerWaalsContact C-N 3.32Å |
| 1008 | S | 89.7 | Confident | 91.6 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -72.5 | -24.3 | -179.8 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | Q637 R808 M1005 L1006 M1010 | Q637-S1008 VanDerWaalsContact OE1-CB 3.3Å; R808-S1008 PolarHBondContact NH1-O 3.15Å; M1005-S1008 WeakPolarHBondContact O-CB 3.31Å; M1005-S1008 PolarHBondContact O-N 2.9Å; M1005-S1008 PolarHBondContact O-OG 3.48Å; L1006-S1008 PolarHBondContact O-N 3.26Å; S1008-M1010 VanDerWaalsContact C-N 3.29Å; S1008-M1010 VanDerWaalsContact OG-CE 3.23Å; S1008-M1010 WeakPolarHBondContact OG-CE 3.46Å; S1008-M1010 WeakPolarHBondContact OG-CG 3.44Å; S1008-M1010 PolarHBondContact OG-N 3.4Å |
| 1009 | G | 86.7 | Confident | 91.3 | Very high | 54 Ų | 54 | 23.2 Ų | 23.2 | 56% | 0.557 | 14% | 0.144 | S | C | * | . | trans | 71.2 | 25.9 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | R808 G1007 | R808-G1009 PolarHBondContact NH2-O 2.97Å; G1007-G1009 VanDerWaalsContact C-N 3.32Å | ||
| 1010 | M | 88.8 | Confident | 90.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -69.1 | 129.7 | 165.6 | -74.7 | -174.6 | -66.7 | 0 | 0 | 109.1 | R808 Q809 L812 F937 M1005 S1008 E1012 L1013 | R808-M1010 HydrophobicContact CB-CG 4.27Å; R808-M1010 HydrophobicContact CB-SD 4.06Å; Q809-M1010 HydrophobicContact CG-CG 4.33Å; Q809-M1010 HydrophobicContact CG-SD 3.94Å; L812-M1010 HydrophobicContact CD2-CE 3.82Å; F937-M1010 HydrophobicContact CZ-CE 4.43Å; F937-M1010 HydrophobicContact CZ-SD 4.37Å; M1005-M1010 HydrophobicContact CB-CE 4.01Å; M1005-M1010 HydrophobicContact CE-CE 3.8Å; S1008-M1010 VanDerWaalsContact C-N 3.29Å; S1008-M1010 VanDerWaalsContact OG-CE 3.23Å; S1008-M1010 WeakPolarHBondContact OG-CE 3.46Å; S1008-M1010 WeakPolarHBondContact OG-CG 3.44Å; S1008-M1010 PolarHBondContact OG-N 3.4Å; M1010-E1012 PolarHBondContact O-N 2.84Å; M1010-E1012 VanDerWaalsContact O-N 3.08Å; M1010-L1013 HydrophobicContact CB-CB 4.38Å; M1010-L1013 HydrophobicContact CE-CB 4.38Å; M1010-L1013 HydrophobicContact CE-CD2 3.72Å; M1010-L1013 CarbonylContact O-C 3.56Å; M1010-L1013 PolarHBondContact O-N 2.95Å | ||
| 1011 | P | 82.7 | Confident | 90.6 | Very high | 68 Ų | 68 | 26.4 Ų | 26.4 | 44% | 0.442 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24 | -176.4 | -27.5 | 34.8 | 0 | 0 | 0 | 115.4 | Q1014 | P1011-Q1014 PolarHBondContact O-NE2 3.46Š|
| 1012 | E | 83.6 | Confident | 90.4 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 5.2 | -174.2 | -60.5 | -171.3 | -169.3 | 0 | 0 | 113.6 | Q809 H936 F937 H940 M1010 | Q809-E1012 PolarHBondContact OE1-OE2 3.25Å; H936-E1012 WeakPolarHBondContact CA-OE2 3.4Å; H936-E1012 IonicContact CE1-OE1 3.69Å; H936-E1012 IonicContact CG-OE1 2.69Å; H936-E1012 IonicContact ND1-OE1 2.77Å; H936-E1012 PolarHBondContact ND1-OE1 2.87Å; F937-E1012 HydrophobicContact CE1-CB 4.45Å; F937-E1012 HydrophobicContact CZ-CB 4.5Å; F937-E1012 PolarHBondContact N-OE2 3.21Å; H940-E1012 HydrophobicContact CB-CB 4.28Å; H940-E1012 VanDerWaalsContact CB-CD 3.45Å; H940-E1012 HydrophobicContact CB-CG 3.78Å; H940-E1012 WeakPolarHBondContact CB-OE2 3.4Å; H940-E1012 PolarHBondContact CE1-O 2.76Å; H940-E1012 IonicContact CG-OE2 3.91Å; H940-E1012 PolarHBondContact ND1-O 2.81Å; M1010-E1012 PolarHBondContact O-N 2.84Å; M1010-E1012 VanDerWaalsContact O-N 3.08Å |
| 1013 | L | 89.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -145.5 | 82.1 | -179 | -173.4 | 63.5 | 0 | 0 | 0 | 108.8 | L812 F937 L938 F1002 M1005 L1006 M1010 D1018 I1019 | L812-L1013 HydrophobicContact CD2-CD2 4.3Å; F937-L1013 HydrophobicContact CE2-CB 4.42Å; F937-L1013 HydrophobicContact CZ-CB 4.25Å; L938-L1013 HydrophobicContact CD1-CD1 3.94Å; F1002-L1013 HydrophobicContact CB-CD1 4.49Å; F1002-L1013 HydrophobicContact CD1-CD1 4.32Å; F1002-L1013 HydrophobicContact CD1-CD2 3.94Å; M1005-L1013 HydrophobicContact CB-CD2 3.52Å; L1006-L1013 HydrophobicContact CD2-CD1 3.96Å; L1006-L1013 HydrophobicContact CD2-CG 4.02Å; M1010-L1013 HydrophobicContact CB-CB 4.38Å; M1010-L1013 HydrophobicContact CE-CB 4.38Å; M1010-L1013 HydrophobicContact CE-CD2 3.72Å; M1010-L1013 CarbonylContact O-C 3.56Å; M1010-L1013 PolarHBondContact O-N 2.95Å; L1013-D1018 HydrophobicContact CD1-CB 4.34Å; L1013-I1019 HydrophobicContact CD1-CD1 4.08Å; L1013-I1019 HydrophobicContact CD1-CG1 3.54Å | ||
| 1014 | Q | 85.2 | Confident | 89.9 | Confident | 57 Ų | 57 | 34.8 Ų | 34.8 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -115.7 | -29.1 | -175.1 | -56.2 | -167.1 | 26.2 | 0 | 0 | 112.7 | H450 P1011 D1018 | H450-Q1014 VanDerWaalsContact O-CD 3.28Å; H450-Q1014 PolarHBondContact O-NE2 3.46Å; H450-Q1014 PolarHBondContact O-OE1 3.21Å; P1011-Q1014 PolarHBondContact O-NE2 3.46Å; Q1014-D1018 PolarHBondContact N-OD2 2.65Å |
| 1015 | S | 87.6 | Confident | 89.6 | Confident | 36 Ų | 36 | 34.9 Ų | 34.9 | 25% | 0.252 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -139 | 169.8 | -179.8 | 78.1 | 0 | 0 | 0 | 0 | 112.9 | L1006 D1017 D1018 | L1006-S1015 VanDerWaalsContact CD2-C 3.5Å; L1006-S1015 WeakPolarHBondContact CD2-O 3.31Å; S1015-D1017 PolarHBondContact O-N 3.44Å; S1015-D1017 PolarHBondContact OG-N 3.37Å; S1015-D1018 PolarHBondContact N-OD2 3.02Å; S1015-D1018 WeakPolarHBondContact O-CB 3.44Å; S1015-D1018 PolarHBondContact O-N 3.48Å |
| 1016 | F | 89.8 | Confident | 89.5 | Confident | 47 Ų | 47 | 34.6 Ų | 34.6 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -23 | 173.1 | -70.3 | -69.6 | 0 | 0 | 0 | 113.1 | L540 C604 N605 L1006 D1018 I1019 A1020 | L540-F1016 HydrophobicContact CD2-CB 4.18Å; L540-F1016 HydrophobicContact CD2-CD1 3.36Å; L540-F1016 HydrophobicContact CD2-CE1 3.98Å; L540-F1016 HydrophobicContact CD2-CG 4.03Å; C604-F1016 VanDerWaalsContact SG-CZ 3.59Å; N605-F1016 WeakPolarHBondContact ND2-CZ 3.45Å; N605-F1016 WeakPolarHBondContact OD1-CE2 3.4Å; L1006-F1016 HydrophobicContact CD1-CD1 3.87Å; L1006-F1016 HydrophobicContact CD1-CD2 4.26Å; L1006-F1016 HydrophobicContact CD1-CE1 3.63Å; L1006-F1016 HydrophobicContact CD1-CE2 4.02Å; L1006-F1016 HydrophobicContact CD1-CG 4.2Å; L1006-F1016 HydrophobicContact CD1-CZ 3.7Å; F1016-D1018 VanDerWaalsContact C-N 3.32Å; F1016-D1018 PolarHBondContact O-N 3Å; F1016-I1019 HydrophobicContact CD1-CD1 4.07Å; F1016-I1019 WeakPolarHBondContact O-CB 3.33Å; F1016-I1019 PolarHBondContact O-N 3.33Å; F1016-A1020 PolarHBondContact O-N 3.04Å |
| 1017 | D | 87.3 | Confident | 89.6 | Confident | 133 Ų | 133 | 34.5 Ų | 34.5 | 71% | 0.711 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -67.4 | -33.1 | 176.2 | -66.8 | -27 | 0 | 0 | 0 | 112 | S1015 I1019 A1020 | S1015-D1017 PolarHBondContact O-N 3.44Å; S1015-D1017 PolarHBondContact OG-N 3.37Å; D1017-I1019 VanDerWaalsContact C-N 3.28Å; D1017-I1019 PolarHBondContact O-N 3.06Å; D1017-A1020 VanDerWaalsContact O-CB 3.3Å; D1017-A1020 WeakPolarHBondContact O-CB 3.17Å; D1017-A1020 PolarHBondContact O-N 3.07Å |
| 1018 | D | 88.5 | Confident | 89.8 | Confident | 34 Ų | 34 | 35 Ų | 35 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 173.3 | -60.7 | -41.7 | 0 | 0 | 0 | 110.2 | L938 H940 L1013 Q1014 S1015 F1016 A1020 Y1021 | L938-D1018 HydrophobicContact CD1-CB 4.36Å; H940-D1018 IonicContact CE1-OD1 2.72Å; H940-D1018 IonicContact NE2-OD1 3.71Å; L1013-D1018 HydrophobicContact CD1-CB 4.34Å; Q1014-D1018 PolarHBondContact N-OD2 2.65Å; S1015-D1018 PolarHBondContact N-OD2 3.02Å; S1015-D1018 WeakPolarHBondContact O-CB 3.44Å; S1015-D1018 PolarHBondContact O-N 3.48Å; F1016-D1018 VanDerWaalsContact C-N 3.32Å; F1016-D1018 PolarHBondContact O-N 3Å; D1018-A1020 VanDerWaalsContact C-N 3.3Å; D1018-A1020 PolarHBondContact O-N 3.17Å; D1018-Y1021 WeakPolarHBondContact O-CB 3.39Å; D1018-Y1021 PolarHBondContact O-N 3.05Å |
| 1019 | I | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.9 | -28.5 | 179.6 | -51.7 | 174.3 | 0 | 0 | 0 | 111.2 | L540 I999 F1002 L1006 L1013 F1016 D1017 Y1021 I1022 | L540-I1019 HydrophobicContact CD1-CB 3.87Å; L540-I1019 HydrophobicContact CD1-CG2 3.6Å; I999-I1019 HydrophobicContact CG2-CG2 4.45Å; F1002-I1019 HydrophobicContact CB-CD1 3.97Å; F1002-I1019 HydrophobicContact CB-CG1 3.98Å; F1002-I1019 HydrophobicContact CB-CG2 3.98Å; L1006-I1019 HydrophobicContact CD1-CD1 4.17Å; L1006-I1019 HydrophobicContact CD2-CD1 4.02Å; L1006-I1019 HydrophobicContact CG-CD1 4.14Å; L1013-I1019 HydrophobicContact CD1-CD1 4.08Å; L1013-I1019 HydrophobicContact CD1-CG1 3.54Å; F1016-I1019 HydrophobicContact CD1-CD1 4.07Å; F1016-I1019 WeakPolarHBondContact O-CB 3.33Å; F1016-I1019 PolarHBondContact O-N 3.33Å; D1017-I1019 VanDerWaalsContact C-N 3.28Å; D1017-I1019 PolarHBondContact O-N 3.06Å; I1019-Y1021 PolarHBondContact O-N 2.87Å; I1019-I1022 PolarHBondContact O-N 2.97Å |
| 1020 | A | 89.5 | Confident | 90.2 | Very high | 36 Ų | 36 | 43 Ų | 43 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.9 | -19.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | F1016 D1017 D1018 I1022 R1023 K1024 | F1016-A1020 PolarHBondContact O-N 3.04Å; D1017-A1020 VanDerWaalsContact O-CB 3.3Å; D1017-A1020 WeakPolarHBondContact O-CB 3.17Å; D1017-A1020 PolarHBondContact O-N 3.07Å; D1018-A1020 VanDerWaalsContact C-N 3.3Å; D1018-A1020 PolarHBondContact O-N 3.17Å; A1020-I1022 VanDerWaalsContact C-N 3.28Å; A1020-I1022 PolarHBondContact O-N 2.94Å; A1020-R1023 WeakPolarHBondContact O-CB 3.38Å; A1020-R1023 PolarHBondContact O-N 3.48Å; A1020-K1024 PolarHBondContact O-N 3.2Å; A1020-K1024 VanDerWaalsContact O-N 3.07Å |
| 1021 | Y | 90.9 | Very high | 90.4 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.3 | -43 | 169.1 | -177.9 | -94.9 | 0 | 0 | 0 | 112.7 | G912 L938 D939 D1018 I1019 K1024 T1025 | G912-Y1021 VanDerWaalsContact CA-CE1 3.43Å; G912-Y1021 VanDerWaalsContact CA-OH 3.32Å; G912-Y1021 WeakPolarHBondContact CA-OH 3.49Å; L938-Y1021 HydrophobicContact CB-CD1 4.43Å; L938-Y1021 HydrophobicContact CB-CG 4.43Å; L938-Y1021 HydrophobicContact CD2-CD1 3.98Å; L938-Y1021 HydrophobicContact CD2-CG 4.46Å; D939-Y1021 HydrophobicContact CB-CD2 3.61Å; D939-Y1021 HydrophobicContact CB-CE2 3.45Å; D939-Y1021 VanDerWaalsContact CB-CE2 3.45Å; D939-Y1021 HydrophobicContact CB-CG 4.46Å; D1018-Y1021 WeakPolarHBondContact O-CB 3.39Å; D1018-Y1021 PolarHBondContact O-N 3.05Å; I1019-Y1021 PolarHBondContact O-N 2.87Å; Y1021-K1024 WeakPolarHBondContact O-CB 3.47Å; Y1021-K1024 PolarHBondContact O-N 3.19Å; Y1021-T1025 HydrophobicContact CD1-CG2 3.93Å; Y1021-T1025 HydrophobicContact CE1-CG2 3.34Å; Y1021-T1025 HydrophobicContact CE2-CG2 4Å; Y1021-T1025 VanDerWaalsContact CZ-CG2 3.41Å; Y1021-T1025 PolarHBondContact O-N 2.93Å; Y1021-T1025 PolarHBondContact O-OG1 3.31Å |
| 1022 | I | 93.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -39.9 | 178.7 | -67.7 | 173.9 | 0 | 0 | 0 | 110.8 | L938 F1002 I1019 A1020 K1024 T1025 L1026 | L938-I1022 HydrophobicContact CD2-CD1 3.78Å; L938-I1022 HydrophobicContact CD2-CG1 3.57Å; F1002-I1022 HydrophobicContact CD2-CD1 3.24Å; F1002-I1022 HydrophobicContact CE2-CD1 3.23Å; F1002-I1022 HydrophobicContact CG-CD1 4.1Å; F1002-I1022 HydrophobicContact CZ-CD1 4.04Å; I1019-I1022 PolarHBondContact O-N 2.97Å; A1020-I1022 VanDerWaalsContact C-N 3.28Å; A1020-I1022 PolarHBondContact O-N 2.94Å; I1022-K1024 PolarHBondContact O-N 3.1Å; I1022-T1025 WeakPolarHBondContact CA-OG1 3.31Å; I1022-T1025 PolarHBondContact O-N 3.28Å; I1022-T1025 PolarHBondContact O-OG1 3.06Å; I1022-L1026 HydrophobicContact CG2-CD1 3.63Å; I1022-L1026 HydrophobicContact CG2-CG 4.24Å; I1022-L1026 WeakPolarHBondContact O-CB 3.44Å; I1022-L1026 WeakPolarHBondContact O-CG 3.41Å; I1022-L1026 PolarHBondContact O-N 3.42Å |
| 1023 | R | 93.5 | Very high | 91.2 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 175.6 | -56.2 | -178.9 | 80.1 | -116.4 | -22.6 | 110.9 | D538 L540 I999 A1020 A1027 L1028 D1029 | D538-R1023 IonicContact OD1-CZ 3.54Å; D538-R1023 IonicContact OD1-NE 3.18Å; D538-R1023 PolarHBondContact OD1-NE 2.74Å; D538-R1023 VanDerWaalsContact OD1-NE 3.13Å; D538-R1023 IonicContact OD1-NH2 3.96Å; D538-R1023 PolarHBondContact OD1-NH2 3.15Å; D538-R1023 IonicContact OD2-CZ 3.82Å; D538-R1023 IonicContact OD2-NE 2.71Å; D538-R1023 PolarHBondContact OD2-NE 3.03Å; D538-R1023 IonicContact OD2-NH2 3.88Å; L540-R1023 VanDerWaalsContact CB-CD 3.5Å; L540-R1023 HydrophobicContact CB-CG 4.47Å; L540-R1023 HydrophobicContact CD1-CG 4.34Å; I999-R1023 HydrophobicContact CD1-CG 4.07Å; A1020-R1023 WeakPolarHBondContact O-CB 3.38Å; A1020-R1023 PolarHBondContact O-N 3.48Å; R1023-A1027 WeakPolarHBondContact O-CA 3.38Å; R1023-A1027 PolarHBondContact O-N 3.32Å; R1023-L1028 HydrophobicContact CB-CD1 4.16Å; R1023-L1028 HydrophobicContact CG-CD1 4.15Å; R1023-L1028 PolarHBondContact O-N 2.91Å; R1023-L1028 VanDerWaalsContact O-N 3.12Å; R1023-D1029 IonicContact CZ-OD1 3.84Å; R1023-D1029 IonicContact NH1-OD1 2.81Å; R1023-D1029 IonicContact NH2-OD1 3.36Å; R1023-D1029 PolarHBondContact NH2-OD1 3.18Å |
| 1024 | K | 91 | Very high | 91.4 | Very high | 143 Ų | 143 | 56.5 Ų | 56.5 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67.5 | -46 | 177.5 | -177.7 | -177 | 178.1 | -179.6 | 0 | 112.5 | A1020 Y1021 I1022 L1026 A1027 | A1020-K1024 PolarHBondContact O-N 3.2Å; A1020-K1024 VanDerWaalsContact O-N 3.07Å; Y1021-K1024 WeakPolarHBondContact O-CB 3.47Å; Y1021-K1024 PolarHBondContact O-N 3.19Å; I1022-K1024 PolarHBondContact O-N 3.1Å; K1024-L1026 VanDerWaalsContact C-N 3.33Å; K1024-A1027 PolarHBondContact O-N 3.49Å |
| 1025 | T | 92 | Very high | 91.7 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.2 | -30.6 | -179 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | F909 I910 Y988 Y1021 I1022 A1027 Y1038 | F909-T1025 WeakPolarHBondContact CE1-O 3.24Å; I910-T1025 PolarHBondContact O-OG1 3.5Å; Y988-T1025 WeakPolarHBondContact CE2-O 3.17Å; Y988-T1025 PolarHBondContact OH-O 3.1Å; Y988-T1025 VanDerWaalsContact OH-O 3.1Å; Y1021-T1025 HydrophobicContact CD1-CG2 3.93Å; Y1021-T1025 HydrophobicContact CE1-CG2 3.34Å; Y1021-T1025 HydrophobicContact CE2-CG2 4Å; Y1021-T1025 VanDerWaalsContact CZ-CG2 3.41Å; Y1021-T1025 PolarHBondContact O-N 2.93Å; Y1021-T1025 PolarHBondContact O-OG1 3.31Å; I1022-T1025 WeakPolarHBondContact CA-OG1 3.31Å; I1022-T1025 PolarHBondContact O-N 3.28Å; I1022-T1025 PolarHBondContact O-OG1 3.06Å; T1025-A1027 VanDerWaalsContact C-N 3.34Å; T1025-Y1038 WeakPolarHBondContact O-CE1 3.32Å |
| 1026 | L | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -5.8 | 173.1 | -66.7 | 176.5 | 0 | 0 | 0 | 113.8 | I910 Y988 I991 R992 A995 I1022 K1024 L1028 | I910-L1026 HydrophobicContact CD1-CD2 3.76Å; I910-L1026 HydrophobicContact CG1-CD2 3.89Å; I910-L1026 HydrophobicContact CG2-CD1 4.49Å; I910-L1026 HydrophobicContact CG2-CD2 4.08Å; I910-L1026 HydrophobicContact CG2-CG 4.19Å; Y988-L1026 HydrophobicContact CD2-CD2 4.44Å; Y988-L1026 HydrophobicContact CE2-CD2 4.01Å; Y988-L1026 WeakPolarHBondContact OH-CA 3.46Å; Y988-L1026 PolarHBondContact OH-O 2.84Å; Y988-L1026 VanDerWaalsContact OH-O 3.13Å; I991-L1026 HydrophobicContact CG2-CD2 4.24Å; R992-L1026 HydrophobicContact CB-CD2 4.22Å; R992-L1026 WeakPolarHBondContact CD-O 3.3Å; R992-L1026 HydrophobicContact CG-CB 4.42Å; R992-L1026 PolarHBondContact NE-O 3.32Å; A995-L1026 HydrophobicContact CB-CD1 3.76Å; I1022-L1026 HydrophobicContact CG2-CD1 3.63Å; I1022-L1026 HydrophobicContact CG2-CG 4.24Å; I1022-L1026 WeakPolarHBondContact O-CB 3.44Å; I1022-L1026 WeakPolarHBondContact O-CG 3.41Å; I1022-L1026 PolarHBondContact O-N 3.42Å; K1024-L1026 VanDerWaalsContact C-N 3.33Å; L1026-L1028 HydrophobicContact CB-CD2 3.62Å; L1026-L1028 HydrophobicContact CB-CG 3.93Å; L1026-L1028 HydrophobicContact CD1-CD2 4.38Å; L1026-L1028 PolarHBondContact O-N 3.01Å |
| 1027 | A | 94.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 55 Ų | 55 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 55.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R992 R1023 K1024 T1025 D1029 K1030 A1035 Y1038 | R992-A1027 PolarHBondContact NH2-O 3.13Å; R1023-A1027 WeakPolarHBondContact O-CA 3.38Å; R1023-A1027 PolarHBondContact O-N 3.32Å; K1024-A1027 PolarHBondContact O-N 3.49Å; T1025-A1027 VanDerWaalsContact C-N 3.34Å; A1027-D1029 VanDerWaalsContact C-N 3.28Å; A1027-D1029 PolarHBondContact O-N 3.12Å; A1027-K1030 HydrophobicContact CB-CB 4.39Å; A1027-K1030 HydrophobicContact CB-CD 4.15Å; A1027-K1030 HydrophobicContact CB-CG 4.31Å; A1027-K1030 PolarHBondContact O-N 3.23Å; A1027-A1035 HydrophobicContact CB-CB 3.88Å; A1027-Y1038 HydrophobicContact CB-CD1 4.02Å |
| 1028 | L | 94.4 | Very high | 92 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -27.3 | -173.8 | -60.4 | -177.1 | 0 | 0 | 0 | 113.3 | D538 R992 A995 I999 R1023 L1026 K1030 | D538-L1028 HydrophobicContact CB-CD1 3.87Å; D538-L1028 WeakPolarHBondContact OD1-CD1 3.44Å; R992-L1028 HydrophobicContact CG-CD2 4.01Å; A995-L1028 HydrophobicContact CB-CD1 3.84Å; A995-L1028 HydrophobicContact CB-CD2 3.65Å; A995-L1028 HydrophobicContact CB-CG 4.41Å; I999-L1028 HydrophobicContact CD1-CD1 3.69Å; R1023-L1028 HydrophobicContact CB-CD1 4.16Å; R1023-L1028 HydrophobicContact CG-CD1 4.15Å; R1023-L1028 PolarHBondContact O-N 2.91Å; R1023-L1028 VanDerWaalsContact O-N 3.12Å; L1026-L1028 HydrophobicContact CB-CD2 3.62Å; L1026-L1028 HydrophobicContact CB-CG 3.93Å; L1026-L1028 HydrophobicContact CD1-CD2 4.38Å; L1026-L1028 PolarHBondContact O-N 3.01Å; L1028-K1030 PolarHBondContact O-N 3Å |
| 1029 | D | 92.1 | Very high | 92 | Very high | 123 Ų | 123 | 49.5 Ų | 49.5 | 66% | 0.658 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 1.5 | 176.4 | -48.9 | -50.1 | 0 | 0 | 0 | 113.5 | R1023 A1027 | R1023-D1029 IonicContact CZ-OD1 3.84Å; R1023-D1029 IonicContact NH1-OD1 2.81Å; R1023-D1029 IonicContact NH2-OD1 3.36Å; R1023-D1029 PolarHBondContact NH2-OD1 3.18Å; A1027-D1029 VanDerWaalsContact C-N 3.28Å; A1027-D1029 PolarHBondContact O-N 3.12Å |
| 1030 | K | 92.6 | Very high | 91.8 | Very high | 101 Ų | 101 | 52.4 Ų | 52.4 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -112.3 | 166.4 | -179 | -58.4 | -168.4 | -177.6 | 179.8 | 0 | 112.1 | R992 A1027 L1028 E1034 | R992-K1030 PolarHBondContact NH2-O 2.94Å; A1027-K1030 HydrophobicContact CB-CB 4.39Å; A1027-K1030 HydrophobicContact CB-CD 4.15Å; A1027-K1030 HydrophobicContact CB-CG 4.31Å; A1027-K1030 PolarHBondContact O-N 3.23Å; L1028-K1030 PolarHBondContact O-N 3Å; K1030-E1034 HydrophobicContact CB-CB 3.95Å; K1030-E1034 HydrophobicContact CD-CB 4.1Å |
| 1031 | S | 92.4 | Very high | 91.6 | Very high | 57 Ų | 57 | 56.8 Ų | 56.8 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | trans | -66.8 | 162.5 | 167.7 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | Q1033 E1034 A1035 | S1031-Q1033 VanDerWaalsContact C-N 3.29Å; S1031-Q1033 PolarHBondContact O-N 3.21Å; S1031-E1034 WeakPolarHBondContact CB-OE2 3.39Å; S1031-E1034 PolarHBondContact N-OE2 3.35Å; S1031-E1034 PolarHBondContact O-N 3.49Å; S1031-E1034 VanDerWaalsContact OG-CD 3.27Å; S1031-E1034 VanDerWaalsContact OG-CG 3.24Å; S1031-E1034 WeakPolarHBondContact OG-CG 3.43Å; S1031-E1034 PolarHBondContact OG-N 2.82Å; S1031-E1034 PolarHBondContact OG-OE2 2.88Å; S1031-A1035 WeakPolarHBondContact O-CB 3.24Å; S1031-A1035 PolarHBondContact O-N 2.91Å | ||
| 1032 | E | 91.8 | Very high | 91.3 | Very high | 91 Ų | 91 | 57.5 Ų | 57.5 | 43% | 0.425 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.3 | -40.4 | 178.7 | -167.2 | 176.4 | 90.8 | 0 | 0 | 112.2 | L989 Q993 A1035 L1036 | L989-E1032 HydrophobicContact CD1-CG 4.44Å; L989-E1032 HydrophobicContact CD2-CG 3.62Å; Q993-E1032 PolarHBondContact NE2-OE2 3.26Å; Q993-E1032 VanDerWaalsContact NE2-OE2 3.16Å; E1032-A1035 PolarHBondContact O-N 3.49Å; E1032-L1036 PolarHBondContact O-N 3.01Å |
| 1033 | Q | 90.8 | Very high | 90.7 | Very high | 116 Ų | 116 | 58.7 Ų | 58.7 | 54% | 0.542 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 178.4 | -176.2 | 59.4 | 52.5 | 0 | 0 | 111.9 | S1031 A1035 L1036 D1037 | S1031-Q1033 VanDerWaalsContact C-N 3.29Å; S1031-Q1033 PolarHBondContact O-N 3.21Å; Q1033-A1035 VanDerWaalsContact C-N 3.28Å; Q1033-A1035 PolarHBondContact O-N 2.83Å; Q1033-L1036 WeakPolarHBondContact O-CB 3.24Å; Q1033-L1036 PolarHBondContact O-N 3.3Å; Q1033-D1037 PolarHBondContact NE2-OD1 3.48Å; Q1033-D1037 VanDerWaalsContact O-CG 3.31Å; Q1033-D1037 PolarHBondContact O-N 3.19Å |
| 1034 | E | 94.4 | Very high | 90 | Very high | 100 Ų | 100 | 60.4 Ų | 60.4 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 178.2 | -68.9 | 167.7 | 131.9 | 0 | 0 | 112.4 | K1030 S1031 Y1038 | K1030-E1034 HydrophobicContact CB-CB 3.95Å; K1030-E1034 HydrophobicContact CD-CB 4.1Å; S1031-E1034 WeakPolarHBondContact CB-OE2 3.39Å; S1031-E1034 PolarHBondContact N-OE2 3.35Å; S1031-E1034 PolarHBondContact O-N 3.49Å; S1031-E1034 VanDerWaalsContact OG-CD 3.27Å; S1031-E1034 VanDerWaalsContact OG-CG 3.24Å; S1031-E1034 WeakPolarHBondContact OG-CG 3.43Å; S1031-E1034 PolarHBondContact OG-N 2.82Å; S1031-E1034 PolarHBondContact OG-OE2 2.88Å; E1034-Y1038 WeakPolarHBondContact O-CB 3.44Å; E1034-Y1038 PolarHBondContact O-N 3.27Å |
| 1035 | A | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y988 R992 A1027 S1031 E1032 Q1033 Y1038 F1039 | Y988-A1035 HydrophobicContact CE1-CB 4.28Å; Y988-A1035 WeakPolarHBondContact CE1-O 3.44Å; Y988-A1035 PolarHBondContact OH-O 2.93Å; R992-A1035 VanDerWaalsContact NE-CB 3.29Å; A1027-A1035 HydrophobicContact CB-CB 3.88Å; S1031-A1035 WeakPolarHBondContact O-CB 3.24Å; S1031-A1035 PolarHBondContact O-N 2.91Å; E1032-A1035 PolarHBondContact O-N 3.49Å; Q1033-A1035 VanDerWaalsContact C-N 3.28Å; Q1033-A1035 PolarHBondContact O-N 2.83Å; A1035-Y1038 WeakPolarHBondContact O-CB 3.22Å; A1035-F1039 PolarHBondContact O-N 3.35Å |
| 1036 | L | 91.4 | Very high | 88.1 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 173.3 | -179.9 | 60.7 | 0 | 0 | 0 | 111.3 | Y985 L989 E1032 Q1033 Y1038 F1039 M1040 | Y985-L1036 HydrophobicContact CD1-CD1 4.1Å; Y985-L1036 HydrophobicContact CG-CD1 3.92Å; L989-L1036 HydrophobicContact CD1-CD2 4.42Å; L989-L1036 HydrophobicContact CD2-CB 4.39Å; E1032-L1036 PolarHBondContact O-N 3.01Å; Q1033-L1036 WeakPolarHBondContact O-CB 3.24Å; Q1033-L1036 PolarHBondContact O-N 3.3Å; L1036-Y1038 VanDerWaalsContact C-N 3.26Å; L1036-Y1038 PolarHBondContact O-N 3.32Å; L1036-F1039 PolarHBondContact O-N 2.94Å; L1036-F1039 VanDerWaalsContact O-N 3.09Å; L1036-M1040 HydrophobicContact CD1-CG 4.35Å; L1036-M1040 HydrophobicContact CG-CG 4.44Å; L1036-M1040 HydrophobicContact CG-SD 4.13Å; L1036-M1040 WeakPolarHBondContact O-CG 3.41Å; L1036-M1040 PolarHBondContact O-N 3.31Å |
| 1037 | D | 89.8 | Confident | 86.6 | Confident | 81 Ų | 81 | 60.9 Ų | 60.9 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.1 | -39 | 177.5 | -65.6 | -17.8 | 0 | 0 | 0 | 111.4 | Q1033 K1041 | Q1033-D1037 PolarHBondContact NE2-OD1 3.48Å; Q1033-D1037 VanDerWaalsContact O-CG 3.31Å; Q1033-D1037 PolarHBondContact O-N 3.19Å; D1037-K1041 WeakPolarHBondContact O-CB 3.41Å; D1037-K1041 PolarHBondContact O-N 3.47Å |
| 1038 | Y | 88.5 | Confident | 85 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 18% | 0.18 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.4 | -50.1 | 172.1 | 167 | -105.9 | 0 | 0 | 0 | 111.8 | F909 T1025 A1027 E1034 A1035 L1036 K1041 Q1042 | F909-Y1038 HydrophobicContact CE1-CE1 4.5Å; F909-Y1038 AromaticContact CZ-CE1 3.9Å; F909-Y1038 HydrophobicContact CZ-CE1 3.9Å; T1025-Y1038 WeakPolarHBondContact O-CE1 3.32Å; A1027-Y1038 HydrophobicContact CB-CD1 4.02Å; E1034-Y1038 WeakPolarHBondContact O-CB 3.44Å; E1034-Y1038 PolarHBondContact O-N 3.27Å; A1035-Y1038 WeakPolarHBondContact O-CB 3.22Å; L1036-Y1038 VanDerWaalsContact C-N 3.26Å; L1036-Y1038 PolarHBondContact O-N 3.32Å; Y1038-K1041 WeakPolarHBondContact O-CB 3.5Å; Y1038-K1041 PolarHBondContact O-N 2.95Å; Y1038-Q1042 HydrophobicContact CD2-CG 4.29Å; Y1038-Q1042 HydrophobicContact CE1-CG 4.3Å; Y1038-Q1042 HydrophobicContact CE2-CG 3.82Å; Y1038-Q1042 WeakPolarHBondContact O-CG 3.3Å; Y1038-Q1042 PolarHBondContact O-N 3.36Å |
| 1039 | F | 89.3 | Confident | 82.8 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 179.5 | -180 | -116.6 | 0 | 0 | 0 | 112.2 | V906 F909 C984 Y985 Y988 A1035 L1036 K1041 Q1042 M1043 | V906-F1039 HydrophobicContact CG2-CE1 4.36Å; V906-F1039 HydrophobicContact CG2-CZ 3.83Å; F909-F1039 HydrophobicContact CB-CE2 4.43Å; F909-F1039 AromaticContact CD1-CD2 3.7Å; F909-F1039 HydrophobicContact CD1-CD2 3.7Å; F909-F1039 AromaticContact CD1-CE2 3.6Å; F909-F1039 HydrophobicContact CD1-CE2 3.6Å; F909-F1039 AromaticContact CE1-CD2 3.56Å; F909-F1039 HydrophobicContact CE1-CD2 3.56Å; F909-F1039 AromaticContact CE1-CE2 3.98Å; F909-F1039 HydrophobicContact CE1-CE2 3.98Å; F909-F1039 HydrophobicContact CG-CD2 4.34Å; F909-F1039 AromaticContact CG-CE2 3.96Å; F909-F1039 HydrophobicContact CG-CE2 3.96Å; F909-F1039 HydrophobicContact CZ-CD2 4.1Å; C984-F1039 HydrophobicContact CB-CE1 4.08Å; C984-F1039 HydrophobicContact CB-CZ 4.4Å; Y985-F1039 AromaticContact CD1-CD1 4Å; Y985-F1039 HydrophobicContact CD1-CD1 4Å; Y985-F1039 HydrophobicContact CD1-CE1 4.03Å; Y985-F1039 HydrophobicContact CE1-CD1 4.5Å; Y988-F1039 HydrophobicContact CD1-CB 3.94Å; Y988-F1039 HydrophobicContact CD1-CD1 4.15Å; Y988-F1039 HydrophobicContact CD1-CG 4.06Å; Y988-F1039 HydrophobicContact CD2-CB 4.26Å; Y988-F1039 HydrophobicContact CD2-CD1 4.31Å; Y988-F1039 AromaticContact CD2-CD2 3.81Å; Y988-F1039 HydrophobicContact CD2-CD2 3.81Å; Y988-F1039 HydrophobicContact CD2-CE2 4.23Å; Y988-F1039 AromaticContact CD2-CG 3.87Å; Y988-F1039 HydrophobicContact CD2-CG 3.87Å; Y988-F1039 HydrophobicContact CE1-CB 3.83Å; Y988-F1039 HydrophobicContact CE1-CG 4.37Å; Y988-F1039 HydrophobicContact CE2-CB 4.16Å; Y988-F1039 HydrophobicContact CE2-CD2 4.1Å; Y988-F1039 HydrophobicContact CE2-CG 4.19Å; Y988-F1039 HydrophobicContact CG-CB 4.15Å; Y988-F1039 AromaticContact CG-CD1 3.84Å; Y988-F1039 HydrophobicContact CG-CD1 3.84Å; Y988-F1039 HydrophobicContact CG-CD2 4.18Å; Y988-F1039 HydrophobicContact CG-CE1 4.28Å; Y988-F1039 AromaticContact CG-CG 3.79Å; Y988-F1039 HydrophobicContact CG-CG 3.79Å; A1035-F1039 PolarHBondContact O-N 3.35Å; L1036-F1039 PolarHBondContact O-N 2.94Å; L1036-F1039 VanDerWaalsContact O-N 3.09Å; F1039-K1041 VanDerWaalsContact C-N 3.32Å; F1039-K1041 PolarHBondContact O-N 3.07Å; F1039-Q1042 PolarHBondContact O-N 3.4Å; F1039-M1043 HydrophobicContact CD1-CE 4.15Å; F1039-M1043 HydrophobicContact CE1-CE 3.28Å; F1039-M1043 HydrophobicContact CE2-CE 4.41Å; F1039-M1043 HydrophobicContact CZ-CE 3.44Å; F1039-M1043 VanDerWaalsContact CZ-CE 3.44Å; F1039-M1043 PolarHBondContact O-N 2.97Å |
| 1040 | M | 87.1 | Confident | 80.5 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 30% | 0.296 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.5 | -44.7 | 174.5 | -72.6 | 176.6 | 66.7 | 0 | 0 | 111.6 | Y985 L1036 M1043 N1044 | Y985-M1040 HydrophobicContact CD1-CG 4.19Å; Y985-M1040 HydrophobicContact CE1-CG 3.65Å; Y985-M1040 HydrophobicContact CE2-CG 4.39Å; L1036-M1040 HydrophobicContact CD1-CG 4.35Å; L1036-M1040 HydrophobicContact CG-CG 4.44Å; L1036-M1040 HydrophobicContact CG-SD 4.13Å; L1036-M1040 WeakPolarHBondContact O-CG 3.41Å; L1036-M1040 PolarHBondContact O-N 3.31Å; M1040-M1043 PolarHBondContact O-N 3.45Å; M1040-N1044 WeakPolarHBondContact O-CB 3.46Å; M1040-N1044 VanDerWaalsContact O-CG 3.31Å; M1040-N1044 PolarHBondContact O-N 2.95Å; M1040-N1044 PolarHBondContact O-ND2 2.94Å |
| 1041 | K | 86.5 | Confident | 77.7 | Confident | 129 Ų | 129 | 69 Ų | 69 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.8 | -47.9 | 175.5 | -177.5 | 178.6 | 177.2 | 179.6 | 0 | 111.8 | D1037 Y1038 F1039 M1043 N1044 D1045 | D1037-K1041 WeakPolarHBondContact O-CB 3.41Å; D1037-K1041 PolarHBondContact O-N 3.47Å; Y1038-K1041 WeakPolarHBondContact O-CB 3.5Å; Y1038-K1041 PolarHBondContact O-N 2.95Å; F1039-K1041 VanDerWaalsContact C-N 3.32Å; F1039-K1041 PolarHBondContact O-N 3.07Å; K1041-M1043 VanDerWaalsContact C-N 3.29Å; K1041-M1043 PolarHBondContact O-N 3.32Å; K1041-N1044 PolarHBondContact O-N 3.34Å; K1041-D1045 VanDerWaalsContact O-CG 3.31Å; K1041-D1045 PolarHBondContact O-N 3.49Å |
| 1042 | Q | 85.1 | Confident | 75.2 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 178.4 | -67 | -55 | -60.9 | 0 | 0 | 112.2 | F909 Y1038 F1039 A1046 | F909-Q1042 HydrophobicContact CE2-CB 3.78Å; F909-Q1042 HydrophobicContact CE2-CG 3.87Å; F909-Q1042 HydrophobicContact CZ-CB 4.16Å; F909-Q1042 HydrophobicContact CZ-CG 3.98Å; Y1038-Q1042 HydrophobicContact CD2-CG 4.29Å; Y1038-Q1042 HydrophobicContact CE1-CG 4.3Å; Y1038-Q1042 HydrophobicContact CE2-CG 3.82Å; Y1038-Q1042 WeakPolarHBondContact O-CG 3.3Å; Y1038-Q1042 PolarHBondContact O-N 3.36Å; F1039-Q1042 PolarHBondContact O-N 3.4Å; Q1042-A1046 WeakPolarHBondContact O-CB 3.18Å; Q1042-A1046 PolarHBondContact O-N 3.26Å |
| 1043 | M | 79.4 | Confident | 73.1 | Confident | 26 Ų | 26 | 66.2 Ų | 66.2 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 176.9 | -167.6 | -174.1 | -65.2 | 0 | 0 | 112.2 | Q981 C984 Y985 F1039 M1040 K1041 A1046 H1047 | Q981-M1043 HydrophobicContact CG-SD 4.3Å; C984-M1043 HydrophobicContact CB-CE 3.45Å; C984-M1043 VanDerWaalsContact CB-CE 3.45Å; Y985-M1043 HydrophobicContact CD1-CE 4.22Å; Y985-M1043 HydrophobicContact CE1-CE 3.8Å; Y985-M1043 HydrophobicContact CE1-SD 4.09Å; F1039-M1043 HydrophobicContact CD1-CE 4.15Å; F1039-M1043 HydrophobicContact CE1-CE 3.28Å; F1039-M1043 HydrophobicContact CE2-CE 4.41Å; F1039-M1043 HydrophobicContact CZ-CE 3.44Å; F1039-M1043 VanDerWaalsContact CZ-CE 3.44Å; F1039-M1043 PolarHBondContact O-N 2.97Å; M1040-M1043 PolarHBondContact O-N 3.45Å; K1041-M1043 VanDerWaalsContact C-N 3.29Å; K1041-M1043 PolarHBondContact O-N 3.32Å; M1043-A1046 PolarHBondContact O-N 3.45Å; M1043-H1047 PolarHBondContact O-N 3.47Å |
| 1044 | N | 78.3 | Confident | 71 | Confident | 72 Ų | 72 | 63.3 Ų | 63.3 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 177.6 | -73.7 | -27.3 | 0 | 0 | 0 | 112.4 | M1040 K1041 A1046 H1047 H1048 | M1040-N1044 WeakPolarHBondContact O-CB 3.46Å; M1040-N1044 VanDerWaalsContact O-CG 3.31Å; M1040-N1044 PolarHBondContact O-N 2.95Å; M1040-N1044 PolarHBondContact O-ND2 2.94Å; K1041-N1044 PolarHBondContact O-N 3.34Å; N1044-A1046 VanDerWaalsContact C-N 3.31Å; N1044-A1046 PolarHBondContact O-N 3.34Å; N1044-H1047 WeakPolarHBondContact O-CB 3.5Å; N1044-H1047 PolarHBondContact O-N 2.72Å; N1044-H1048 PolarHBondContact O-N 2.93Å; N1044-H1048 PolarHBondContact O-ND1 3.05Å |
| 1045 | D | 75.4 | Confident | 68.6 | Low | 90 Ų | 90 | 64.1 Ų | 64.1 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 176.6 | -70.2 | -16.3 | 0 | 0 | 0 | 110.6 | K1041 H1047 H1048 | K1041-D1045 VanDerWaalsContact O-CG 3.31Å; K1041-D1045 PolarHBondContact O-N 3.49Å; D1045-H1047 VanDerWaalsContact C-N 3.31Å; D1045-H1047 PolarHBondContact O-N 3.4Å; D1045-H1048 PolarHBondContact O-N 3.21Å |
| 1046 | A | 68.6 | Low | 66.6 | Low | 11 Ų | 11 | 67.6 Ų | 67.6 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V952 Q1042 M1043 N1044 G1049 | V952-A1046 VanDerWaalsContact CG1-CA 3.43Å; V952-A1046 HydrophobicContact CG1-CB 3.33Å; Q1042-A1046 WeakPolarHBondContact O-CB 3.18Å; Q1042-A1046 PolarHBondContact O-N 3.26Å; M1043-A1046 PolarHBondContact O-N 3.45Å; N1044-A1046 VanDerWaalsContact C-N 3.31Å; N1044-A1046 PolarHBondContact O-N 3.34Å; A1046-G1049 PolarHBondContact O-N 2.92Å |
| 1047 | H | 64.1 | Low | 64.8 | Low | 56 Ų | 56 | 67.5 Ų | 67.5 | 26% | 0.259 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 178.5 | -179.3 | 62.1 | 0 | 0 | 0 | 112.9 | L961 T972 M1043 N1044 D1045 G1049 | L961-H1047 VanDerWaalsContact CD1-CE1 3.48Å; L961-H1047 WeakPolarHBondContact CD1-CE1 3.41Å; T972-H1047 VanDerWaalsContact CG2-CE1 3.46Å; T972-H1047 WeakPolarHBondContact CG2-CE1 3.44Å; T972-H1047 WeakPolarHBondContact CG2-NE2 3.3Å; M1043-H1047 PolarHBondContact O-N 3.47Å; N1044-H1047 WeakPolarHBondContact O-CB 3.5Å; N1044-H1047 PolarHBondContact O-N 2.72Å; D1045-H1047 VanDerWaalsContact C-N 3.31Å; D1045-H1047 PolarHBondContact O-N 3.4Å; H1047-G1049 VanDerWaalsContact C-N 3.32Å; H1047-G1049 PolarHBondContact O-N 2.86Å |
| 1048 | H | 60.4 | Low | 63 | Low | 154 Ų | 154 | 67 Ų | 67 | 71% | 0.713 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -78.7 | -12 | -177.5 | -64.8 | 85.9 | 0 | 0 | 0 | 113.7 | N1044 D1045 | N1044-H1048 PolarHBondContact O-N 2.93Å; N1044-H1048 PolarHBondContact O-ND1 3.05Å; D1045-H1048 PolarHBondContact O-N 3.21Å |
| 1049 | G | 49.1 | Very low | 61.3 | Low | 21 Ų | 21 | 71.6 Ų | 71.6 | 22% | 0.216 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | A1046 H1047 W1051 T1052 | A1046-G1049 PolarHBondContact O-N 2.92Å; H1047-G1049 VanDerWaalsContact C-N 3.32Å; H1047-G1049 PolarHBondContact O-N 2.86Å; G1049-W1051 PolarHBondContact O-N 3.21Å; G1049-T1052 PolarHBondContact O-N 2.87Å; G1049-T1052 PolarHBondContact O-OG1 2.78Å |
| 1050 | G | 43.3 | Very low | 59.4 | Low | 25 Ų | 25 | 73.8 Ų | 73.8 | 26% | 0.258 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.3 | -14.2 | -167 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 1051 | W | 32.4 | Very low | 57.4 | Low | 234 Ų | 234 | 71.9 Ų | 71.9 | 89% | 0.886 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -71.2 | -32.3 | 175.9 | -108.2 | 67.9 | 0 | 0 | 0 | 113.1 | G1049 | G1049-W1051 PolarHBondContact O-N 3.21Å |
| 1052 | T | 41.6 | Very low | 55.5 | Low | 65 Ų | 65 | 70.6 Ų | 70.6 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -74.7 | -34 | 179.4 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | G1049 M1055 D1056 | G1049-T1052 PolarHBondContact O-N 2.87Å; G1049-T1052 PolarHBondContact O-OG1 2.78Å; T1052-M1055 PolarHBondContact O-N 3.47Å; T1052-D1056 PolarHBondContact O-N 3.46Å |
| 1053 | T | 47.2 | Very low | 53.6 | Low | 24 Ų | 24 | 75.4 Ų | 75.4 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.2 | -35.5 | -178.8 | -13.4 | 0 | 0 | 0 | 0 | 113.3 | V955 M1055 D1056 W1057 | V955-T1053 HydrophobicContact CG1-CG2 3.88Å; V955-T1053 HydrophobicContact CG2-CG2 4.1Å; T1053-M1055 VanDerWaalsContact C-N 3.34Å; T1053-M1055 PolarHBondContact O-N 2.81Å; T1053-D1056 PolarHBondContact O-N 2.92Å; T1053-W1057 PolarHBondContact O-N 2.67Å; T1053-W1057 VanDerWaalsContact O-N 3.11Å |
| 1054 | K | 47.3 | Very low | 51.6 | Low | 54 Ų | 54 | 78.9 Ų | 78.9 | 24% | 0.235 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.6 | -33.5 | 177.7 | -76.1 | -171.2 | 175 | -174 | 0 | 113 | S874 W1057 I1058 | S874-K1054 PolarHBondContact OG-NZ 3.24Å; K1054-W1057 HydrophobicContact CG-CE3 4.13Å; K1054-W1057 HydrophobicContact CG-CZ3 4.3Å; K1054-W1057 PolarHBondContact O-N 2.86Å; K1054-I1058 WeakPolarHBondContact O-CG1 3.43Å; K1054-I1058 PolarHBondContact O-N 3.14Å |
| 1055 | M | 43.8 | Very low | 49.8 | Very low | 118 Ų | 118 | 81.8 Ų | 81.8 | 58% | 0.581 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.4 | -42.4 | 175.5 | -77 | -64.8 | -139.5 | 0 | 0 | 111.5 | T1052 T1053 W1057 I1058 F1059 | T1052-M1055 PolarHBondContact O-N 3.47Å; T1053-M1055 VanDerWaalsContact C-N 3.34Å; T1053-M1055 PolarHBondContact O-N 2.81Å; M1055-W1057 VanDerWaalsContact C-N 3.26Å; M1055-W1057 PolarHBondContact O-N 3.17Å; M1055-I1058 PolarHBondContact O-N 3.28Å; M1055-I1058 HydrophobicContact SD-CD1 4.28Å; M1055-F1059 WeakPolarHBondContact O-CD2 3.37Å; M1055-F1059 PolarHBondContact O-N 3.03Å |
| 1056 | D | 50.2 | Low | 47.8 | Very low | 72 Ų | 72 | 81.4 Ų | 81.4 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.1 | -35.3 | 175.1 | -75.2 | -31.3 | 0 | 0 | 0 | 112.2 | T1052 T1053 F1059 H1060 | T1052-D1056 PolarHBondContact O-N 3.46Å; T1053-D1056 PolarHBondContact O-N 2.92Å; D1056-F1059 PolarHBondContact O-N 3.06Å; D1056-H1060 PolarHBondContact O-CD2 2.77Å; D1056-H1060 PolarHBondContact O-N 3.4Å |
| 1057 | W | 54.2 | Low | 46 | Very low | 24 Ų | 24 | 87.6 Ų | 87.6 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 175.5 | -63.4 | -9.3 | 0 | 0 | 0 | 113.6 | N918 V955 T957 T1053 K1054 M1055 H1060 T1061 | N918-W1057 VanDerWaalsContact ND2-CZ3 3.29Å; N918-W1057 WeakPolarHBondContact ND2-CZ3 3.45Å; N918-W1057 WeakPolarHBondContact OD1-CH2 3.37Å; N918-W1057 WeakPolarHBondContact OD1-CZ2 3.26Å; V955-W1057 HydrophobicContact CG1-CZ2 4.05Å; T957-W1057 HydrophobicContact CG2-CH2 3.12Å; T957-W1057 HydrophobicContact CG2-CZ2 3.6Å; T957-W1057 HydrophobicContact CG2-CZ3 4.02Å; T1053-W1057 PolarHBondContact O-N 2.67Å; T1053-W1057 VanDerWaalsContact O-N 3.11Å; K1054-W1057 HydrophobicContact CG-CE3 4.13Å; K1054-W1057 HydrophobicContact CG-CZ3 4.3Å; K1054-W1057 PolarHBondContact O-N 2.86Å; M1055-W1057 VanDerWaalsContact C-N 3.26Å; M1055-W1057 PolarHBondContact O-N 3.17Å; W1057-H1060 PolarHBondContact O-N 3.32Å; W1057-T1061 WeakPolarHBondContact O-CB 3.35Å; W1057-T1061 PolarHBondContact O-N 3.46Å; W1057-T1061 PolarHBondContact O-OG1 2.9Å |
| 1058 | I | 52.2 | Low | 44.3 | Very low | 71 Ų | 71 | 92.9 Ų | 92.9 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 175.2 | -66.8 | 166.5 | 0 | 0 | 0 | 109.8 | K1054 M1055 H1060 T1061 I1062 | K1054-I1058 WeakPolarHBondContact O-CG1 3.43Å; K1054-I1058 PolarHBondContact O-N 3.14Å; M1055-I1058 PolarHBondContact O-N 3.28Å; M1055-I1058 HydrophobicContact SD-CD1 4.28Å; I1058-H1060 VanDerWaalsContact C-N 3.34Å; I1058-H1060 PolarHBondContact O-N 3.07Å; I1058-T1061 PolarHBondContact O-N 2.85Å; I1058-I1062 PolarHBondContact O-N 3.33Å; I1058-I1062 WeakPolarHBondContact O-CG1 3.37Å; I1058-I1062 VanDerWaalsContact O-CG1 3.32Å; I1058-I1062 HydrophobicContact CG2-CD1 3.75Å; I1058-I1062 HydrophobicContact CG2-CG1 4.36Å |
| 1059 | F | 51.4 | Low | 43.5 | Very low | 143 Ų | 143 | 89.9 Ų | 89.9 | 63% | 0.627 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.9 | -37.5 | 176.6 | -73.5 | -70.3 | 0 | 0 | 0 | 113 | M1055 D1056 R1063 | M1055-F1059 WeakPolarHBondContact O-CD2 3.37Å; M1055-F1059 PolarHBondContact O-N 3.03Å; D1056-F1059 PolarHBondContact O-N 3.06Å; F1059-R1063 WeakPolarHBondContact O-CB 3.48Å; F1059-R1063 PolarHBondContact O-N 3.07Å |
| 1060 | H | 49.2 | Very low | 43.2 | Very low | 52 Ų | 52 | 93.5 Ų | 93.5 | 24% | 0.241 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 172.5 | -92.8 | -85.9 | 0 | 0 | 0 | 112.7 | R949 D1056 W1057 I1058 R1063 Q1064 | R949-H1060 PolarHBondContact NH2-CE1 3.43Å; R949-H1060 PolarHBondContact NH2-NE2 3.27Å; D1056-H1060 PolarHBondContact O-CD2 2.77Å; D1056-H1060 PolarHBondContact O-N 3.4Å; W1057-H1060 PolarHBondContact O-N 3.32Å; I1058-H1060 VanDerWaalsContact C-N 3.34Å; I1058-H1060 PolarHBondContact O-N 3.07Å; H1060-R1063 PolarHBondContact O-N 3.32Å; H1060-Q1064 PolarHBondContact O-N 3Å |
| 1061 | T | 46.7 | Very low | 43.2 | Very low | 20 Ų | 20 | 97.3 Ų | 97.3 | 12% | 0.123 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 179.7 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | M858 F872 W1057 I1058 R1063 Q1064 H1065 | M858-T1061 VanDerWaalsContact CE-OG1 3.29Å; M858-T1061 WeakPolarHBondContact CE-OG1 3.2Å; F872-T1061 HydrophobicContact CE2-CG2 4.41Å; F872-T1061 HydrophobicContact CZ-CG2 4.44Å; W1057-T1061 WeakPolarHBondContact O-CB 3.35Å; W1057-T1061 PolarHBondContact O-N 3.46Å; W1057-T1061 PolarHBondContact O-OG1 2.9Å; I1058-T1061 PolarHBondContact O-N 2.85Å; T1061-R1063 VanDerWaalsContact C-N 3.29Å; T1061-R1063 PolarHBondContact O-N 3.27Å; T1061-Q1064 PolarHBondContact O-N 2.96Å; T1061-H1065 PolarHBondContact O-N 3.34Å |
| 1062 | I | 46.3 | Very low | 43.9 | Very low | 102 Ų | 102 | 89.2 Ų | 89.2 | 52% | 0.523 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 176.1 | -67.5 | 167.7 | 0 | 0 | 0 | 110.7 | I1058 H1065 A1066 | I1058-I1062 PolarHBondContact O-N 3.33Å; I1058-I1062 WeakPolarHBondContact O-CG1 3.37Å; I1058-I1062 VanDerWaalsContact O-CG1 3.32Å; I1058-I1062 HydrophobicContact CG2-CD1 3.75Å; I1058-I1062 HydrophobicContact CG2-CG1 4.36Å; I1062-H1065 PolarHBondContact O-N 2.94Å; I1062-A1066 VanDerWaalsContact O-CB 3.31Å; I1062-A1066 WeakPolarHBondContact O-CB 3.4Å; I1062-A1066 PolarHBondContact O-N 3.26Å |
| 1063 | R | 43.8 | Very low | 44 | Very low | 149 Ų | 149 | 90.8 Ų | 90.8 | 56% | 0.562 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.6 | -38.9 | 177.8 | -167.7 | 178.3 | -177.4 | 179.3 | 1.2 | 112.8 | F1059 H1060 T1061 A1066 M1067 | F1059-R1063 WeakPolarHBondContact O-CB 3.48Å; F1059-R1063 PolarHBondContact O-N 3.07Å; H1060-R1063 PolarHBondContact O-N 3.32Å; T1061-R1063 VanDerWaalsContact C-N 3.29Å; T1061-R1063 PolarHBondContact O-N 3.27Å; R1063-A1066 PolarHBondContact O-N 3.49Å; R1063-M1067 HydrophobicContact CG-CE 4.42Å; R1063-M1067 WeakPolarHBondContact O-CG 3.3Å; R1063-M1067 PolarHBondContact O-N 3.09Å |
| 1064 | Q | 38.8 | Very low | 43.8 | Very low | 100 Ų | 100 | 95.2 Ų | 95.2 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 174.5 | -100 | -173.9 | -18.5 | 0 | 0 | 112.3 | H1060 T1061 M1067 N1068 | H1060-Q1064 PolarHBondContact O-N 3Å; T1061-Q1064 PolarHBondContact O-N 2.96Å; Q1064-M1067 PolarHBondContact O-N 3.15Å; Q1064-N1068 PolarHBondContact O-N 3.36Å |
| 1065 | H | 39.6 | Very low | 43.5 | Very low | 133 Ų | 133 | 98.1 Ų | 98.1 | 62% | 0.616 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -74.2 | -25 | 175.1 | -82.1 | 6 | 0 | 0 | 0 | 114 | T1061 I1062 M1067 | T1061-H1065 PolarHBondContact O-N 3.34Å; I1062-H1065 PolarHBondContact O-N 2.94Å; H1065-M1067 VanDerWaalsContact C-N 3.31Å |
| 1066 | A | 33 | Very low | 43.5 | Very low | 81 Ų | 81 | 96.6 Ų | 96.6 | 67% | 0.669 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -8.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1062 R1063 | I1062-A1066 VanDerWaalsContact O-CB 3.31Å; I1062-A1066 WeakPolarHBondContact O-CB 3.4Å; I1062-A1066 PolarHBondContact O-N 3.26Å; R1063-A1066 PolarHBondContact O-N 3.49Å |
| 1067 | M | 30.7 | Very low | 43 | Very low | 141 Ų | 141 | 98.7 Ų | 98.7 | 70% | 0.695 | 49% | 0.49 | S | S | * | . | trans | -107.2 | -8.3 | 179.4 | -74.5 | -176 | 168.3 | 0 | 0 | 113.9 | R1063 Q1064 H1065 | R1063-M1067 HydrophobicContact CG-CE 4.42Å; R1063-M1067 WeakPolarHBondContact O-CG 3.3Å; R1063-M1067 PolarHBondContact O-N 3.09Å; Q1064-M1067 PolarHBondContact O-N 3.15Å; H1065-M1067 VanDerWaalsContact C-N 3.31Å | ||
| 1068 | N | 29.9 | Very low | 41.9 | Very low | 168 Ų | 168 | 105.5 Ų | 105.5 | 90% | 0.898 | 53% | 0.526 | S | S | * | . | trans | -94.2 | 0 | 163.4 | -73.1 | -18 | 0 | 0 | 0 | 109.3 | Q1064 | Q1064-N1068 PolarHBondContact O-N 3.36Š|
Retrieved 1,068 of 1,068 residues in 1528.1 ms
(Link to these results)