| 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 | 60.9 | Low | 90.9 | Very high | 164 Ų | 164 | 82.1 Ų | 82.1 | 81% | 0.808 | 39% | 0.39 | S | S | * | . | 0 | 139.5 | 0 | -94 | 170.4 | -72.9 | 0 | 0 | 108 | E5 D6 Q9 | M1-E5 WeakPolarHBondContact CA-OE2 3.07Å; M1-E5 HydrophobicContact CB-CB 4.07Å; M1-E5 HydrophobicContact CG-CB 3.89Å; M1-E5 WeakPolarHBondContact CG-OE2 3Å; M1-D6 WeakPolarHBondContact CB-OD1 3.12Å; M1-D6 VanDerWaalsContact SD-OD1 3.42Å; M1-Q9 HydrophobicContact SD-CG 4.45Å | |||
| 2 | S | 85.6 | Confident | 91.5 | Very high | 57 Ų | 57 | 78.5 Ų | 78.5 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | trans | -70.1 | 156.8 | 167.1 | 68.5 | 0 | 0 | 0 | 0 | 110 | K4 E5 D6 | S2-K4 PolarHBondContact O-N 3.11Å; S2-E5 PolarHBondContact N-OE2 3.01Å; S2-E5 WeakPolarHBondContact O-CB 3.43Å; S2-E5 PolarHBondContact O-N 3.37Å; S2-E5 WeakPolarHBondContact OG-CG 3.32Å; S2-E5 PolarHBondContact OG-N 3.17Å; S2-D6 PolarHBondContact O-N 3.47Å; S2-D6 VanDerWaalsContact O-N 3.11Å | ||
| 3 | E | 89.3 | Confident | 92 | Very high | 157 Ų | 157 | 80.7 Ų | 80.7 | 73% | 0.734 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -54.6 | -35.9 | 176.3 | -176.2 | 175.5 | -169.8 | 0 | 0 | 111.8 | D6 I7 | E3-D6 PolarHBondContact O-N 3.4Å; E3-I7 HydrophobicContact CG-CD1 4.23Å; E3-I7 VanDerWaalsContact O-CG1 3.29Å; E3-I7 WeakPolarHBondContact O-CG1 3.33Å; E3-I7 PolarHBondContact O-N 3.32Å; E3-I7 VanDerWaalsContact O-N 3.14Å |
| 4 | K | 92.8 | Very high | 92.5 | Very high | 47 Ų | 47 | 75.7 Ų | 75.7 | 20% | 0.204 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 173.9 | -169.3 | -169.8 | -179.4 | -158.7 | 0 | 111.7 | S2 D6 I7 V8 V30 E41 | S2-K4 PolarHBondContact O-N 3.11Å; K4-D6 VanDerWaalsContact C-N 3.33Å; K4-D6 PolarHBondContact O-N 3.1Å; K4-I7 PolarHBondContact O-N 3.33Å; K4-V8 WeakPolarHBondContact O-CG2 3.35Å; K4-V8 PolarHBondContact O-N 2.98Å; K4-V30 HydrophobicContact CD-CG1 4.36Å; K4-V30 VanDerWaalsContact CE-CG1 3.47Å; K4-V30 HydrophobicContact CG-CG1 3.96Å; K4-E41 WeakPolarHBondContact CE-OE1 3.47Å; K4-E41 IonicContact NZ-OE1 3.38Å; K4-E41 PolarHBondContact NZ-OE1 3.05Å; K4-E41 IonicContact NZ-OE2 2.8Å; K4-E41 PolarHBondContact NZ-OE2 2.82Å |
| 5 | E | 93.2 | Very high | 92.8 | Very high | 100 Ų | 100 | 75.3 Ų | 75.3 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 179.8 | -72.4 | 164 | -178.2 | 0 | 0 | 111.8 | M1 S2 I7 V8 Q9 | M1-E5 WeakPolarHBondContact CA-OE2 3.07Å; M1-E5 HydrophobicContact CB-CB 4.07Å; M1-E5 HydrophobicContact CG-CB 3.89Å; M1-E5 WeakPolarHBondContact CG-OE2 3Å; S2-E5 PolarHBondContact N-OE2 3.01Å; S2-E5 WeakPolarHBondContact O-CB 3.43Å; S2-E5 PolarHBondContact O-N 3.37Å; S2-E5 WeakPolarHBondContact OG-CG 3.32Å; S2-E5 PolarHBondContact OG-N 3.17Å; E5-I7 VanDerWaalsContact C-N 3.34Å; E5-I7 PolarHBondContact O-N 3.13Å; E5-V8 PolarHBondContact O-N 3.32Å; E5-Q9 WeakPolarHBondContact O-CG 3.46Å; E5-Q9 PolarHBondContact O-N 3.21Å |
| 6 | D | 94.6 | Very high | 93.1 | Very high | 69 Ų | 69 | 80.3 Ų | 80.3 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 176.8 | -73.1 | -14.7 | 0 | 0 | 0 | 111.5 | M1 S2 E3 K4 Q9 R10 | M1-D6 WeakPolarHBondContact CB-OD1 3.12Å; M1-D6 VanDerWaalsContact SD-OD1 3.42Å; S2-D6 PolarHBondContact O-N 3.47Å; S2-D6 VanDerWaalsContact O-N 3.11Å; E3-D6 PolarHBondContact O-N 3.4Å; K4-D6 VanDerWaalsContact C-N 3.33Å; K4-D6 PolarHBondContact O-N 3.1Å; D6-Q9 PolarHBondContact O-N 2.66Å; D6-R10 WeakPolarHBondContact O-CG 3.33Å; D6-R10 PolarHBondContact O-N 3.42Å |
| 7 | I | 96.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 79.2 Ų | 79.2 | 13% | 0.133 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69 | -41.7 | 177.1 | -59.8 | 164.2 | 0 | 0 | 0 | 110.8 | E3 K4 E5 Q9 R10 A11 A26 K29 V30 | E3-I7 HydrophobicContact CG-CD1 4.23Å; E3-I7 VanDerWaalsContact O-CG1 3.29Å; E3-I7 WeakPolarHBondContact O-CG1 3.33Å; E3-I7 PolarHBondContact O-N 3.32Å; E3-I7 VanDerWaalsContact O-N 3.14Å; K4-I7 PolarHBondContact O-N 3.33Å; E5-I7 VanDerWaalsContact C-N 3.34Å; E5-I7 PolarHBondContact O-N 3.13Å; I7-Q9 VanDerWaalsContact C-N 3.33Å; I7-Q9 PolarHBondContact O-N 3.07Å; I7-R10 WeakPolarHBondContact O-CB 3.5Å; I7-R10 PolarHBondContact O-N 3.47Å; I7-A11 PolarHBondContact O-N 3.14Å; I7-A26 HydrophobicContact CG2-CB 3.83Å; I7-A26 VanDerWaalsContact CG2-O 3.23Å; I7-A26 WeakPolarHBondContact CG2-O 3.36Å; I7-K29 HydrophobicContact CD1-CB 4.44Å; I7-V30 HydrophobicContact CB-CG2 3.83Å; I7-V30 HydrophobicContact CG2-CG2 3.49Å; I7-V30 VanDerWaalsContact CG2-CG2 3.49Å |
| 8 | V | 96.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 82.9 Ų | 82.9 | 7% | 0.067 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 175.7 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | K4 E5 R10 A11 K12 V30 E41 L44 | K4-V8 WeakPolarHBondContact O-CG2 3.35Å; K4-V8 PolarHBondContact O-N 2.98Å; E5-V8 PolarHBondContact O-N 3.32Å; V8-R10 VanDerWaalsContact C-N 3.34Å; V8-R10 PolarHBondContact O-N 3.24Å; V8-A11 WeakPolarHBondContact O-CB 3.29Å; V8-A11 PolarHBondContact O-N 3.48Å; V8-K12 WeakPolarHBondContact O-CG 3.36Å; V8-K12 PolarHBondContact O-N 3.24Å; V8-V30 HydrophobicContact CG2-CG1 4.12Å; V8-V30 HydrophobicContact CG2-CG2 3.87Å; V8-E41 HydrophobicContact CG2-CG 4.15Å; V8-L44 HydrophobicContact CG1-CD1 4.03Å |
| 9 | Q | 96.8 | Very high | 93.9 | Very high | 95 Ų | 95 | 86.1 Ų | 86.1 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 174.6 | -76.6 | -63.1 | -12 | 0 | 0 | 112.3 | M1 E5 D6 I7 A11 K12 L13 | M1-Q9 HydrophobicContact SD-CG 4.45Å; E5-Q9 WeakPolarHBondContact O-CG 3.46Å; E5-Q9 PolarHBondContact O-N 3.21Å; D6-Q9 PolarHBondContact O-N 2.66Å; I7-Q9 VanDerWaalsContact C-N 3.33Å; I7-Q9 PolarHBondContact O-N 3.07Å; Q9-A11 VanDerWaalsContact C-N 3.33Å; Q9-A11 PolarHBondContact O-N 3.21Å; Q9-K12 PolarHBondContact O-N 3.23Å; Q9-L13 WeakPolarHBondContact O-CG 3.25Å; Q9-L13 PolarHBondContact O-N 3.4Å |
| 10 | R | 96.6 | Very high | 94.1 | Very high | 177 Ų | 177 | 84.7 Ų | 84.7 | 67% | 0.668 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.9 | -38.8 | 172.7 | -72.5 | 175.3 | -176.2 | -176.5 | 3.7 | 112.4 | D6 I7 V8 K12 L13 A14 | D6-R10 WeakPolarHBondContact O-CG 3.33Å; D6-R10 PolarHBondContact O-N 3.42Å; I7-R10 WeakPolarHBondContact O-CB 3.5Å; I7-R10 PolarHBondContact O-N 3.47Å; V8-R10 VanDerWaalsContact C-N 3.34Å; V8-R10 PolarHBondContact O-N 3.24Å; R10-K12 VanDerWaalsContact C-N 3.34Å; R10-L13 PolarHBondContact O-N 3.2Å; R10-A14 WeakPolarHBondContact O-CB 3.1Å; R10-A14 PolarHBondContact O-N 3.37Å |
| 11 | A | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I7 V8 Q9 L13 A14 E15 M23 A26 M27 | I7-A11 PolarHBondContact O-N 3.14Å; V8-A11 WeakPolarHBondContact O-CB 3.29Å; V8-A11 PolarHBondContact O-N 3.48Å; Q9-A11 VanDerWaalsContact C-N 3.33Å; Q9-A11 PolarHBondContact O-N 3.21Å; A11-L13 PolarHBondContact O-N 3.13Å; A11-A14 WeakPolarHBondContact O-CB 3.33Å; A11-A14 PolarHBondContact O-N 3.33Å; A11-E15 PolarHBondContact O-N 3.45Å; A11-M23 HydrophobicContact CB-CG 4.19Å; A11-A26 HydrophobicContact CB-CB 3.99Å; A11-M27 HydrophobicContact CB-CG 3.95Å; A11-M27 HydrophobicContact CB-SD 3.62Å |
| 12 | K | 97.9 | Very high | 96 | Very high | 39 Ų | 39 | 79.9 Ų | 79.9 | 17% | 0.17 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 175 | -68.9 | 176.9 | 175.7 | -173.9 | 0 | 112.7 | V8 Q9 R10 E15 Q16 E40 L44 | V8-K12 WeakPolarHBondContact O-CG 3.36Å; V8-K12 PolarHBondContact O-N 3.24Å; Q9-K12 PolarHBondContact O-N 3.23Å; R10-K12 VanDerWaalsContact C-N 3.34Å; K12-E15 PolarHBondContact O-N 3.4Å; K12-Q16 WeakPolarHBondContact O-CG 3.3Å; K12-Q16 PolarHBondContact O-N 2.95Å; K12-Q16 VanDerWaalsContact O-N 3.14Å; K12-E40 WeakPolarHBondContact CE-OE1 3.48Å; K12-E40 IonicContact NZ-OE1 3.9Å; K12-E40 PolarHBondContact NZ-OE1 2.89Å; K12-E40 IonicContact NZ-OE2 2.64Å; K12-E40 PolarHBondContact NZ-OE2 3.35Å; K12-L44 HydrophobicContact CG-CD1 4.06Å; K12-L44 HydrophobicContact CG-CD2 4.26Å |
| 13 | L | 98.2 | Very high | 96.6 | Very high | 107 Ų | 107 | 77.1 Ų | 77.1 | 56% | 0.56 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.7 | -39.8 | 173.6 | -68.3 | 172.7 | 0 | 0 | 0 | 111.8 | Q9 R10 A11 E15 Q16 A17 | Q9-L13 WeakPolarHBondContact O-CG 3.25Å; Q9-L13 PolarHBondContact O-N 3.4Å; R10-L13 PolarHBondContact O-N 3.2Å; A11-L13 PolarHBondContact O-N 3.13Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-Q16 PolarHBondContact O-N 2.73Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.22Å |
| 14 | A | 98.2 | Very high | 96.9 | Very high | 11 Ų | 11 | 70 Ų | 70 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R10 A11 A17 E18 R19 D22 M23 | R10-A14 WeakPolarHBondContact O-CB 3.1Å; R10-A14 PolarHBondContact O-N 3.37Å; A11-A14 WeakPolarHBondContact O-CB 3.33Å; A11-A14 PolarHBondContact O-N 3.33Å; A14-A17 CarbonylContact O-C 3.51Å; A14-A17 PolarHBondContact O-N 2.88Å; A14-E18 PolarHBondContact O-N 3.4Å; A14-E18 VanDerWaalsContact O-N 3.11Å; A14-R19 PolarHBondContact O-N 2.8Å; A14-D22 HydrophobicContact CB-CB 4.14Å; A14-M23 HydrophobicContact CB-CB 3.88Å |
| 15 | E | 98 | Very high | 97.1 | Very high | 70 Ų | 70 | 70.2 Ų | 70.2 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.7 | -49.9 | 172.2 | -176 | 179.6 | -151.1 | 0 | 0 | 111.6 | A11 K12 L13 A17 E18 M23 L44 | A11-E15 PolarHBondContact O-N 3.45Å; K12-E15 PolarHBondContact O-N 3.4Å; L13-E15 VanDerWaalsContact C-N 3.34Å; E15-A17 PolarHBondContact O-N 3.14Å; E15-E18 PolarHBondContact O-N 2.95Å; E15-M23 HydrophobicContact CB-CE 3.84Å; E15-M23 HydrophobicContact CB-SD 3.81Å; E15-M23 HydrophobicContact CG-CE 4.06Å; E15-M23 HydrophobicContact CG-SD 4.22Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.35Å |
| 16 | Q | 97.4 | Very high | 97.3 | Very high | 155 Ų | 155 | 66 Ų | 66 | 72% | 0.724 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.3 | -27 | 178.3 | -70.1 | 175 | 33.1 | 0 | 0 | 113.3 | K12 L13 E18 | K12-Q16 WeakPolarHBondContact O-CG 3.3Å; K12-Q16 PolarHBondContact O-N 2.95Å; K12-Q16 VanDerWaalsContact O-N 3.14Å; L13-Q16 PolarHBondContact O-N 2.73Å; Q16-E18 VanDerWaalsContact C-N 3.34Å |
| 17 | A | 97.8 | Very high | 97.4 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 51% | 0.512 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 4.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L13 A14 E15 R19 | L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.22Å; A14-A17 CarbonylContact O-C 3.51Å; A14-A17 PolarHBondContact O-N 2.88Å; E15-A17 PolarHBondContact O-N 3.14Å; A17-R19 HydrophobicContact CB-CG 4.2Å; A17-R19 PolarHBondContact O-N 3.44Å; A17-R19 VanDerWaalsContact O-N 3.08Å |
| 18 | E | 97.4 | Very high | 97.4 | Very high | 146 Ų | 146 | 63.9 Ų | 63.9 | 68% | 0.682 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 25.3 | -175.6 | -58.4 | -177.2 | -162.6 | 0 | 0 | 113.9 | A14 E15 Q16 Y20 | A14-E18 PolarHBondContact O-N 3.4Å; A14-E18 VanDerWaalsContact O-N 3.11Å; E15-E18 PolarHBondContact O-N 2.95Å; Q16-E18 VanDerWaalsContact C-N 3.34Å; E18-Y20 VanDerWaalsContact C-N 3.34Å; E18-Y20 HydrophobicContact CB-CE2 3.95Å; E18-Y20 WeakPolarHBondContact O-CD2 3.38Å; E18-Y20 PolarHBondContact O-N 3.38Å |
| 19 | R | 98.2 | Very high | 97.2 | Very high | 142 Ų | 142 | 69.4 Ų | 69.4 | 54% | 0.536 | 34% | 0.338 | S | S | . | . | trans | -91.9 | 68.9 | 177.2 | -64.9 | -159.7 | 68.7 | -148.9 | -11.3 | 110.2 | A14 A17 D21 D22 M23 | A14-R19 PolarHBondContact O-N 2.8Å; A17-R19 HydrophobicContact CB-CG 4.2Å; A17-R19 PolarHBondContact O-N 3.44Å; A17-R19 VanDerWaalsContact O-N 3.08Å; R19-D21 VanDerWaalsContact C-N 3.3Å; R19-D21 PolarHBondContact O-N 2.74Å; R19-D22 HydrophobicContact CB-CB 4.25Å; R19-D22 IonicContact CZ-OD1 3.14Å; R19-D22 IonicContact CZ-OD2 2.77Å; R19-D22 IonicContact NE-OD2 3.88Å; R19-D22 IonicContact NH1-OD2 2.74Å; R19-D22 PolarHBondContact NH1-OD2 3.16Å; R19-D22 VanDerWaalsContact NH2-CG 3.33Å; R19-D22 IonicContact NH2-OD1 2.69Å; R19-D22 PolarHBondContact NH2-OD1 3.09Å; R19-D22 IonicContact NH2-OD2 3.24Å; R19-D22 PolarHBondContact NH2-OD2 3.21Å; R19-D22 WeakPolarHBondContact O-CB 3.41Å; R19-D22 PolarHBondContact O-N 3.48Å; R19-D22 VanDerWaalsContact O-N 3.1Å; R19-M23 PolarHBondContact O-N 3.26Å | ||
| 20 | Y | 97.9 | Very high | 97.2 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.1 | -29 | -172.9 | -58 | -71.5 | 0 | 0 | 0 | 114.4 | E18 M23 A24 N51 V52 | E18-Y20 VanDerWaalsContact C-N 3.34Å; E18-Y20 HydrophobicContact CB-CE2 3.95Å; E18-Y20 WeakPolarHBondContact O-CD2 3.38Å; E18-Y20 PolarHBondContact O-N 3.38Å; Y20-M23 HydrophobicContact CD1-SD 4.13Å; Y20-M23 WeakPolarHBondContact O-CB 3.01Å; Y20-M23 PolarHBondContact O-N 3.05Å; Y20-A24 WeakPolarHBondContact O-CB 3.44Å; Y20-A24 PolarHBondContact O-N 3.46Å; Y20-N51 HydrophobicContact CD1-CB 3.52Å; Y20-N51 HydrophobicContact CD2-CB 3.63Å; Y20-N51 HydrophobicContact CE1-CB 3.9Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.44Å; Y20-N51 HydrophobicContact CE2-CB 4Å; Y20-N51 HydrophobicContact CG-CB 3.36Å; Y20-V52 VanDerWaalsContact O-CG2 3.29Å; Y20-V52 WeakPolarHBondContact O-CG2 3.42Å |
| 21 | D | 97.4 | Very high | 97.1 | Very high | 80 Ų | 80 | 56.5 Ų | 56.5 | 43% | 0.428 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 173.1 | -68.5 | -89.4 | 0 | 0 | 0 | 111.5 | R19 A24 A25 R56 | R19-D21 VanDerWaalsContact C-N 3.3Å; R19-D21 PolarHBondContact O-N 2.74Å; D21-A24 PolarHBondContact O-N 2.95Å; D21-A25 PolarHBondContact O-N 3.17Å; D21-R56 IonicContact OD1-CZ 2.61Å; D21-R56 IonicContact OD1-NH1 3.54Å; D21-R56 PolarHBondContact OD1-NH1 3.06Å; D21-R56 IonicContact OD1-NH2 3.7Å; D21-R56 PolarHBondContact OD1-NH2 3.21Å; D21-R56 IonicContact OD2-CZ 3.93Å; D21-R56 IonicContact OD2-NH1 3.13Å; D21-R56 PolarHBondContact OD2-NH1 3.09Å; D21-R56 IonicContact OD2-NH2 2.93Å |
| 22 | D | 97.9 | Very high | 96.8 | Very high | 67 Ų | 67 | 60.6 Ų | 60.6 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 175.7 | -69.4 | 10.8 | 0 | 0 | 0 | 110.9 | A14 R19 A25 A26 | A14-D22 HydrophobicContact CB-CB 4.14Å; R19-D22 HydrophobicContact CB-CB 4.25Å; R19-D22 IonicContact CZ-OD1 3.14Å; R19-D22 IonicContact CZ-OD2 2.77Å; R19-D22 IonicContact NE-OD2 3.88Å; R19-D22 IonicContact NH1-OD2 2.74Å; R19-D22 PolarHBondContact NH1-OD2 3.16Å; R19-D22 VanDerWaalsContact NH2-CG 3.33Å; R19-D22 IonicContact NH2-OD1 2.69Å; R19-D22 PolarHBondContact NH2-OD1 3.09Å; R19-D22 IonicContact NH2-OD2 3.24Å; R19-D22 PolarHBondContact NH2-OD2 3.21Å; R19-D22 WeakPolarHBondContact O-CB 3.41Å; R19-D22 PolarHBondContact O-N 3.48Å; R19-D22 VanDerWaalsContact O-N 3.1Å; D22-A25 PolarHBondContact O-N 3.1Å; D22-A26 WeakPolarHBondContact O-CB 3.14Å; D22-A26 PolarHBondContact O-N 3.2Å |
| 23 | M | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 175.5 | -168.4 | -169 | -179 | 0 | 0 | 111.2 | A11 A14 E15 R19 Y20 A26 M27 L44 V47 A48 | A11-M23 HydrophobicContact CB-CG 4.19Å; A14-M23 HydrophobicContact CB-CB 3.88Å; E15-M23 HydrophobicContact CB-CE 3.84Å; E15-M23 HydrophobicContact CB-SD 3.81Å; E15-M23 HydrophobicContact CG-CE 4.06Å; E15-M23 HydrophobicContact CG-SD 4.22Å; R19-M23 PolarHBondContact O-N 3.26Å; Y20-M23 HydrophobicContact CD1-SD 4.13Å; Y20-M23 WeakPolarHBondContact O-CB 3.01Å; Y20-M23 PolarHBondContact O-N 3.05Å; M23-A26 PolarHBondContact O-N 3.01Å; M23-M27 WeakPolarHBondContact O-CB 3.22Å; M23-M27 WeakPolarHBondContact O-CG 3.35Å; M23-M27 PolarHBondContact O-N 3.47Å; M23-L44 HydrophobicContact CE-CB 3.97Å; M23-L44 HydrophobicContact CE-CD2 3.47Å; M23-L44 VanDerWaalsContact CE-CD2 3.47Å; M23-L44 HydrophobicContact CE-CG 4.34Å; M23-L44 VanDerWaalsContact CE-O 3.3Å; M23-L44 WeakPolarHBondContact CE-O 3.36Å; M23-V47 HydrophobicContact CE-CB 4.25Å; M23-V47 HydrophobicContact CE-CG1 4.12Å; M23-V47 HydrophobicContact SD-CG1 4.37Å; M23-A48 HydrophobicContact CB-CB 3.99Å; M23-A48 HydrophobicContact CE-CB 4.23Å; M23-A48 HydrophobicContact CG-CB 3.62Å; M23-A48 HydrophobicContact SD-CB 3.61Å |
| 24 | A | 97 | Very high | 95.9 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y20 D21 A26 M27 K28 A48 Y49 V52 | Y20-A24 WeakPolarHBondContact O-CB 3.44Å; Y20-A24 PolarHBondContact O-N 3.46Å; D21-A24 PolarHBondContact O-N 2.95Å; A24-A26 VanDerWaalsContact C-N 3.32Å; A24-A26 PolarHBondContact O-N 3.28Å; A24-M27 PolarHBondContact O-N 3.48Å; A24-K28 VanDerWaalsContact O-CB 3.27Å; A24-K28 WeakPolarHBondContact O-CB 3.47Å; A24-K28 PolarHBondContact O-N 3.33Å; A24-A48 HydrophobicContact CB-CB 4.06Å; A24-Y49 HydrophobicContact CB-CD1 4.45Å; A24-Y49 HydrophobicContact CB-CD2 4.2Å; A24-Y49 HydrophobicContact CB-CE1 4.38Å; A24-Y49 HydrophobicContact CB-CE2 4.11Å; A24-Y49 HydrophobicContact CB-CG 4.36Å; A24-V52 HydrophobicContact CB-CG2 4.11Å |
| 25 | A | 96.5 | Very high | 95.4 | Very high | 51 Ų | 51 | 60.1 Ų | 60.1 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | D21 D22 K29 | D21-A25 PolarHBondContact O-N 3.17Å; D22-A25 PolarHBondContact O-N 3.1Å; A25-K29 WeakPolarHBondContact O-CG 3.47Å; A25-K29 PolarHBondContact O-N 3.02Å |
| 26 | A | 97.1 | Very high | 95 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.2 | -49.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I7 A11 D22 M23 A24 K28 K29 V30 | I7-A26 HydrophobicContact CG2-CB 3.83Å; I7-A26 VanDerWaalsContact CG2-O 3.23Å; I7-A26 WeakPolarHBondContact CG2-O 3.36Å; A11-A26 HydrophobicContact CB-CB 3.99Å; D22-A26 WeakPolarHBondContact O-CB 3.14Å; D22-A26 PolarHBondContact O-N 3.2Å; M23-A26 PolarHBondContact O-N 3.01Å; A24-A26 VanDerWaalsContact C-N 3.32Å; A24-A26 PolarHBondContact O-N 3.28Å; A26-K28 VanDerWaalsContact C-N 3.32Å; A26-K28 PolarHBondContact O-N 3.18Å; A26-K29 WeakPolarHBondContact O-CB 3.38Å; A26-K29 PolarHBondContact O-N 2.64Å; A26-V30 PolarHBondContact O-N 3.37Å; A26-V30 VanDerWaalsContact O-N 3.13Å |
| 27 | M | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.5 | -33.6 | -179.2 | -68.6 | -52.4 | -53.6 | 0 | 0 | 112.7 | A11 M23 A24 K29 V30 T31 E41 L44 L45 | A11-M27 HydrophobicContact CB-CG 3.95Å; A11-M27 HydrophobicContact CB-SD 3.62Å; M23-M27 WeakPolarHBondContact O-CB 3.22Å; M23-M27 WeakPolarHBondContact O-CG 3.35Å; M23-M27 PolarHBondContact O-N 3.47Å; A24-M27 PolarHBondContact O-N 3.48Å; M27-K29 PolarHBondContact O-N 3.21Å; M27-V30 HydrophobicContact CE-CB 4.38Å; M27-V30 HydrophobicContact CE-CG1 4.39Å; M27-V30 WeakPolarHBondContact O-CB 3.43Å; M27-V30 PolarHBondContact O-N 3.42Å; M27-T31 PolarHBondContact O-N 2.97Å; M27-T31 PolarHBondContact O-OG1 3.41Å; M27-T31 VanDerWaalsContact O-OG1 3.07Å; M27-E41 HydrophobicContact CE-CB 4.19Å; M27-E41 WeakPolarHBondContact CE-O 3.39Å; M27-L44 HydrophobicContact CE-CB 4.03Å; M27-L44 HydrophobicContact CG-CB 4.26Å; M27-L44 HydrophobicContact SD-CB 3.86Å; M27-L44 HydrophobicContact SD-CD1 4.38Å; M27-L45 HydrophobicContact CB-CB 4.29Å; M27-L45 HydrophobicContact CB-CD1 3.66Å; M27-L45 HydrophobicContact CE-CB 4.21Å |
| 28 | K | 95 | Very high | 94.7 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 21% | 0.213 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.6 | -50.4 | 170.4 | -174.4 | 175.2 | -168.1 | 174.3 | 0 | 111.1 | A24 A26 V30 T31 E32 D97 L142 | A24-K28 VanDerWaalsContact O-CB 3.27Å; A24-K28 WeakPolarHBondContact O-CB 3.47Å; A24-K28 PolarHBondContact O-N 3.33Å; A26-K28 VanDerWaalsContact C-N 3.32Å; A26-K28 PolarHBondContact O-N 3.18Å; K28-V30 VanDerWaalsContact C-N 3.32Å; K28-V30 PolarHBondContact O-N 2.82Å; K28-T31 WeakPolarHBondContact O-CB 3.41Å; K28-T31 PolarHBondContact O-N 2.92Å; K28-T31 VanDerWaalsContact O-N 3.14Å; K28-E32 WeakPolarHBondContact CE-OE1 3.13Å; K28-E32 HydrophobicContact CG-CG 4.44Å; K28-E32 WeakPolarHBondContact O-CB 3.23Å; K28-E32 WeakPolarHBondContact O-CG 3.47Å; K28-E32 PolarHBondContact O-N 3.07Å; K28-D97 IonicContact NZ-OD1 2.82Å; K28-D97 PolarHBondContact NZ-OD1 2.94Å; K28-D97 IonicContact NZ-OD2 3.21Å; K28-D97 PolarHBondContact NZ-OD2 3.47Å; K28-L142 HydrophobicContact CB-CD1 4.48Å; K28-L142 HydrophobicContact CG-CD1 4.15Å; K28-L142 HydrophobicContact CG-CD2 4.05Å |
| 29 | K | 94.1 | Very high | 94.3 | Very high | 128 Ų | 128 | 52 Ų | 52 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.4 | -40.4 | 177.4 | -69.2 | 174.7 | -178.3 | -178.3 | 0 | 112.5 | I7 A25 A26 M27 T31 E32 T33 | I7-K29 HydrophobicContact CD1-CB 4.44Å; A25-K29 WeakPolarHBondContact O-CG 3.47Å; A25-K29 PolarHBondContact O-N 3.02Å; A26-K29 WeakPolarHBondContact O-CB 3.38Å; A26-K29 PolarHBondContact O-N 2.64Å; M27-K29 PolarHBondContact O-N 3.21Å; K29-T31 VanDerWaalsContact C-N 3.34Å; K29-E32 PolarHBondContact O-N 3.47Å; K29-T33 VanDerWaalsContact O-CG2 3.25Å; K29-T33 WeakPolarHBondContact O-CG2 3.43Å; K29-T33 PolarHBondContact O-N 3.19Å |
| 30 | V | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 111 | K4 I7 V8 A26 M27 K28 T33 L37 | K4-V30 HydrophobicContact CD-CG1 4.36Å; K4-V30 VanDerWaalsContact CE-CG1 3.47Å; K4-V30 HydrophobicContact CG-CG1 3.96Å; I7-V30 HydrophobicContact CB-CG2 3.83Å; I7-V30 HydrophobicContact CG2-CG2 3.49Å; I7-V30 VanDerWaalsContact CG2-CG2 3.49Å; V8-V30 HydrophobicContact CG2-CG1 4.12Å; V8-V30 HydrophobicContact CG2-CG2 3.87Å; A26-V30 PolarHBondContact O-N 3.37Å; A26-V30 VanDerWaalsContact O-N 3.13Å; M27-V30 HydrophobicContact CE-CB 4.38Å; M27-V30 HydrophobicContact CE-CG1 4.39Å; M27-V30 WeakPolarHBondContact O-CB 3.43Å; M27-V30 PolarHBondContact O-N 3.42Å; K28-V30 VanDerWaalsContact C-N 3.32Å; K28-V30 PolarHBondContact O-N 2.82Å; V30-T33 PolarHBondContact O-OG1 3.2Å; V30-T33 VanDerWaalsContact O-OG1 3.1Å; V30-L37 HydrophobicContact CG1-CD2 3.88Å |
| 31 | T | 94.4 | Very high | 94 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 177.3 | -59.5 | 0 | 0 | 0 | 0 | 112 | M27 K28 K29 T33 G34 L142 Y146 L147 | M27-T31 PolarHBondContact O-N 2.97Å; M27-T31 PolarHBondContact O-OG1 3.41Å; M27-T31 VanDerWaalsContact O-OG1 3.07Å; K28-T31 WeakPolarHBondContact O-CB 3.41Å; K28-T31 PolarHBondContact O-N 2.92Å; K28-T31 VanDerWaalsContact O-N 3.14Å; K29-T31 VanDerWaalsContact C-N 3.34Å; T31-T33 PolarHBondContact O-N 3.33Å; T31-G34 PolarHBondContact O-N 3.24Å; T31-L142 HydrophobicContact CG2-CB 4.29Å; T31-L142 HydrophobicContact CG2-CD2 3.71Å; T31-L142 HydrophobicContact CG2-CG 4.5Å; T31-Y146 HydrophobicContact CG2-CG 4.18Å; T31-Y146 WeakPolarHBondContact O-CD1 3.44Å; T31-L147 HydrophobicContact CG2-CD1 4.17Å; T31-L147 HydrophobicContact CG2-CD2 3.68Å; T31-L147 HydrophobicContact CG2-CG 3.84Å |
| 32 | E | 91.8 | Very high | 93.9 | Very high | 86 Ų | 86 | 45.2 Ų | 45.2 | 40% | 0.402 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.8 | -15.9 | -178.7 | -74 | 172.2 | 168 | 0 | 0 | 113.8 | K28 K29 G34 L142 Y146 | K28-E32 WeakPolarHBondContact CE-OE1 3.13Å; K28-E32 HydrophobicContact CG-CG 4.44Å; K28-E32 WeakPolarHBondContact O-CB 3.23Å; K28-E32 WeakPolarHBondContact O-CG 3.47Å; K28-E32 PolarHBondContact O-N 3.07Å; K29-E32 PolarHBondContact O-N 3.47Å; E32-G34 PolarHBondContact O-N 2.82Å; E32-L142 HydrophobicContact CG-CD2 4.03Å; E32-Y146 HydrophobicContact CB-CE1 4.45Å; E32-Y146 HydrophobicContact CG-CE2 4.06Å; E32-Y146 VanDerWaalsContact O-CE1 3.3Å; E32-Y146 WeakPolarHBondContact O-CE1 3.44Å |
| 33 | T | 90.3 | Very high | 93.6 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.9 | 170.1 | 81.7 | 0 | 0 | 0 | 0 | 112.3 | K29 V30 T31 A35 | K29-T33 VanDerWaalsContact O-CG2 3.25Å; K29-T33 WeakPolarHBondContact O-CG2 3.43Å; K29-T33 PolarHBondContact O-N 3.19Å; V30-T33 PolarHBondContact O-OG1 3.2Å; V30-T33 VanDerWaalsContact O-OG1 3.1Å; T31-T33 PolarHBondContact O-N 3.33Å; T33-A35 VanDerWaalsContact C-N 3.32Å; T33-A35 PolarHBondContact O-N 2.91Å |
| 34 | G | 87.1 | Confident | 93.5 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | trans | 74.3 | 14.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T31 E32 K150 | T31-G34 PolarHBondContact O-N 3.24Å; E32-G34 PolarHBondContact O-N 2.82Å; G34-K150 VanDerWaalsContact C-NZ 3.29Å; G34-K150 WeakPolarHBondContact O-CD 3.27Å; G34-K150 WeakPolarHBondContact O-CE 3.41Å; G34-K150 PolarHBondContact O-NZ 3.45Å | ||
| 35 | A | 89.1 | Confident | 93.5 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 35% | 0.347 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -77 | 151 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T33 L37 | T33-A35 VanDerWaalsContact C-N 3.32Å; T33-A35 PolarHBondContact O-N 2.91Å; A35-L37 PolarHBondContact O-N 2.78Å |
| 36 | E | 89.6 | Confident | 93.4 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -62.5 | 134 | 168.3 | -171 | 176.8 | -168 | 0 | 0 | 109.2 | K150 T152 | E36-K150 VanDerWaalsContact CD-O 3.31Å; E36-K150 VanDerWaalsContact OE1-O 3.12Å; E36-T152 PolarHBondContact OE1-N 2.86Å; E36-T152 PolarHBondContact OE1-OG1 2.95Å |
| 37 | L | 93 | Very high | 93.3 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 135.6 | 178.1 | -61.6 | -172.3 | 0 | 0 | 0 | 110.7 | V30 A35 E41 R42 L45 L147 | V30-L37 HydrophobicContact CG1-CD2 3.88Å; A35-L37 PolarHBondContact O-N 2.78Å; L37-E41 WeakPolarHBondContact CA-OE2 3.3Å; L37-E41 HydrophobicContact CB-CB 4Å; L37-E41 HydrophobicContact CD2-CB 4.19Å; L37-E41 HydrophobicContact CG-CB 4.49Å; L37-R42 HydrophobicContact CB-CB 4.45Å; L37-L45 HydrophobicContact CD1-CB 4.49Å; L37-L45 HydrophobicContact CD1-CD2 4Å; L37-L147 HydrophobicContact CD1-CD2 3.62Å; L37-L147 HydrophobicContact CG-CD2 3.9Å |
| 38 | T | 94.2 | Very high | 93.3 | Very high | 70 Ų | 70 | 47 Ų | 47 | 43% | 0.429 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 165.3 | 168.3 | 71.8 | 0 | 0 | 0 | 0 | 110.5 | E40 E41 R42 | T38-E40 PolarHBondContact O-N 3.31Å; T38-E41 PolarHBondContact N-OE2 3.24Å; T38-E41 PolarHBondContact O-N 3.31Å; T38-E41 VanDerWaalsContact OG1-CG 3.3Å; T38-E41 WeakPolarHBondContact OG1-CG 3.17Å; T38-E41 PolarHBondContact OG1-N 3.14Å; T38-R42 WeakPolarHBondContact O-CB 3.2Å; T38-R42 PolarHBondContact O-N 3.31Å |
| 39 | N | 89.9 | Confident | 93.4 | Very high | 108 Ų | 108 | 45 Ų | 45 | 58% | 0.578 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -58.4 | -38.3 | 176.3 | -72 | -22.8 | 0 | 0 | 0 | 112.2 | R42 N43 | N39-R42 PolarHBondContact OD1-NH1 3Å; N39-R42 PolarHBondContact OD1-NH2 3.44Å; N39-N43 WeakPolarHBondContact O-CB 3.47Å; N39-N43 VanDerWaalsContact O-CG 3.22Å; N39-N43 PolarHBondContact O-N 3.2Å; N39-N43 PolarHBondContact O-ND2 3.12Å |
| 40 | E | 93.8 | Very high | 93.4 | Very high | 108 Ų | 108 | 44.5 Ų | 44.5 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.8 | -48.1 | 176.4 | -171.2 | -177.5 | -160.8 | 0 | 0 | 111.3 | K12 T38 R42 N43 L44 | K12-E40 WeakPolarHBondContact CE-OE1 3.48Å; K12-E40 IonicContact NZ-OE1 3.9Å; K12-E40 PolarHBondContact NZ-OE1 2.89Å; K12-E40 IonicContact NZ-OE2 2.64Å; K12-E40 PolarHBondContact NZ-OE2 3.35Å; T38-E40 PolarHBondContact O-N 3.31Å; E40-R42 VanDerWaalsContact C-N 3.32Å; E40-R42 PolarHBondContact O-N 3.32Å; E40-N43 PolarHBondContact O-N 3.25Å; E40-L44 HydrophobicContact CG-CD1 4.45Å; E40-L44 WeakPolarHBondContact O-CG 3.33Å; E40-L44 PolarHBondContact O-N 3.14Å |
| 41 | E | 95.8 | Very high | 93.5 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 9% | 0.093 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -39.7 | 178.3 | -69.4 | 167.4 | 169.4 | 0 | 0 | 112 | K4 V8 M27 L37 T38 L44 L45 | K4-E41 WeakPolarHBondContact CE-OE1 3.47Å; K4-E41 IonicContact NZ-OE1 3.38Å; K4-E41 PolarHBondContact NZ-OE1 3.05Å; K4-E41 IonicContact NZ-OE2 2.8Å; K4-E41 PolarHBondContact NZ-OE2 2.82Å; V8-E41 HydrophobicContact CG2-CG 4.15Å; M27-E41 HydrophobicContact CE-CB 4.19Å; M27-E41 WeakPolarHBondContact CE-O 3.39Å; L37-E41 WeakPolarHBondContact CA-OE2 3.3Å; L37-E41 HydrophobicContact CB-CB 4Å; L37-E41 HydrophobicContact CD2-CB 4.19Å; L37-E41 HydrophobicContact CG-CB 4.49Å; T38-E41 PolarHBondContact N-OE2 3.24Å; T38-E41 PolarHBondContact O-N 3.31Å; T38-E41 VanDerWaalsContact OG1-CG 3.3Å; T38-E41 WeakPolarHBondContact OG1-CG 3.17Å; T38-E41 PolarHBondContact OG1-N 3.14Å; E41-L44 PolarHBondContact O-N 2.8Å; E41-L45 PolarHBondContact O-N 3.1Å |
| 42 | R | 94.5 | Very high | 93.7 | Very high | 10 Ų | 10 | 47 Ų | 47 | 4% | 0.038 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 175.5 | -172.8 | -175.4 | -47.7 | 140.4 | 11.8 | 111.8 | L37 T38 N39 E40 L45 S46 S156 F159 Y160 | L37-R42 HydrophobicContact CB-CB 4.45Å; T38-R42 WeakPolarHBondContact O-CB 3.2Å; T38-R42 PolarHBondContact O-N 3.31Å; N39-R42 PolarHBondContact OD1-NH1 3Å; N39-R42 PolarHBondContact OD1-NH2 3.44Å; E40-R42 VanDerWaalsContact C-N 3.32Å; E40-R42 PolarHBondContact O-N 3.32Å; R42-L45 PolarHBondContact O-N 2.73Å; R42-S46 PolarHBondContact O-N 3.18Å; R42-S156 VanDerWaalsContact NH2-CB 3.33Å; R42-F159 HydrophobicContact CG-CD1 3.66Å; R42-F159 HydrophobicContact CG-CE1 3.39Å; R42-F159 HydrophobicContact CG-CE2 4.45Å; R42-F159 HydrophobicContact CG-CG 4.31Å; R42-F159 HydrophobicContact CG-CZ 3.8Å; R42-Y160 HydrophobicContact CG-CE1 3.66Å; R42-Y160 PolarHBondContact NE-OH 3.27Å |
| 43 | N | 92 | Very high | 93.9 | Very high | 87 Ų | 87 | 42.9 Ų | 42.9 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 176.1 | -73.9 | -16.8 | 0 | 0 | 0 | 111 | N39 E40 L45 S46 V47 | N39-N43 WeakPolarHBondContact O-CB 3.47Å; N39-N43 VanDerWaalsContact O-CG 3.22Å; N39-N43 PolarHBondContact O-N 3.2Å; N39-N43 PolarHBondContact O-ND2 3.12Å; E40-N43 PolarHBondContact O-N 3.25Å; N43-L45 PolarHBondContact O-N 3.05Å; N43-S46 PolarHBondContact O-N 3.17Å; N43-V47 WeakPolarHBondContact O-CB 3.41Å; N43-V47 VanDerWaalsContact O-CG2 3.3Å; N43-V47 WeakPolarHBondContact O-CG2 3.02Å; N43-V47 PolarHBondContact O-N 3.18Å |
| 44 | L | 97.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 175.2 | -71.1 | 170.3 | 0 | 0 | 0 | 111.9 | V8 K12 E15 M23 M27 E40 E41 S46 V47 A48 | V8-L44 HydrophobicContact CG1-CD1 4.03Å; K12-L44 HydrophobicContact CG-CD1 4.06Å; K12-L44 HydrophobicContact CG-CD2 4.26Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.35Å; M23-L44 HydrophobicContact CE-CB 3.97Å; M23-L44 HydrophobicContact CE-CD2 3.47Å; M23-L44 VanDerWaalsContact CE-CD2 3.47Å; M23-L44 HydrophobicContact CE-CG 4.34Å; M23-L44 VanDerWaalsContact CE-O 3.3Å; M23-L44 WeakPolarHBondContact CE-O 3.36Å; M27-L44 HydrophobicContact CE-CB 4.03Å; M27-L44 HydrophobicContact CG-CB 4.26Å; M27-L44 HydrophobicContact SD-CB 3.86Å; M27-L44 HydrophobicContact SD-CD1 4.38Å; E40-L44 HydrophobicContact CG-CD1 4.45Å; E40-L44 WeakPolarHBondContact O-CG 3.33Å; E40-L44 PolarHBondContact O-N 3.14Å; E41-L44 PolarHBondContact O-N 2.8Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 3.31Å; L44-V47 PolarHBondContact O-N 3Å; L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.49Å; L44-A48 PolarHBondContact O-N 3.47Å |
| 45 | L | 96.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -46.2 | 176.7 | 179.8 | 72.2 | 0 | 0 | 0 | 111.4 | M27 L37 E41 R42 N43 A48 Y49 L142 L147 | M27-L45 HydrophobicContact CB-CB 4.29Å; M27-L45 HydrophobicContact CB-CD1 3.66Å; M27-L45 HydrophobicContact CE-CB 4.21Å; L37-L45 HydrophobicContact CD1-CB 4.49Å; L37-L45 HydrophobicContact CD1-CD2 4Å; E41-L45 PolarHBondContact O-N 3.1Å; R42-L45 PolarHBondContact O-N 2.73Å; N43-L45 PolarHBondContact O-N 3.05Å; L45-A48 PolarHBondContact O-N 3.45Å; L45-Y49 HydrophobicContact CD1-CD2 3.64Å; L45-Y49 HydrophobicContact CD1-CE2 3.55Å; L45-Y49 HydrophobicContact CG-CD2 4.28Å; L45-Y49 PolarHBondContact O-N 3.37Å; L45-Y49 VanDerWaalsContact O-N 3.12Å; L45-L142 HydrophobicContact CD1-CD1 4.49Å; L45-L147 HydrophobicContact CD2-CD1 3.62Å |
| 46 | S | 94.1 | Very high | 95 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.6 | -46.4 | 179.3 | -179 | 0 | 0 | 0 | 0 | 112 | R42 N43 L44 A48 K50 | R42-S46 PolarHBondContact O-N 3.18Å; N43-S46 PolarHBondContact O-N 3.17Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 3.31Å; S46-A48 VanDerWaalsContact C-N 3.33Å; S46-A48 PolarHBondContact O-N 3.28Å; S46-K50 WeakPolarHBondContact O-CB 3.38Å; S46-K50 PolarHBondContact O-N 2.69Å |
| 47 | V | 95.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 40 Ų | 40 | 26% | 0.261 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | M23 N43 L44 N51 | M23-V47 HydrophobicContact CE-CB 4.25Å; M23-V47 HydrophobicContact CE-CG1 4.12Å; M23-V47 HydrophobicContact SD-CG1 4.37Å; N43-V47 WeakPolarHBondContact O-CB 3.41Å; N43-V47 VanDerWaalsContact O-CG2 3.3Å; N43-V47 WeakPolarHBondContact O-CG2 3.02Å; N43-V47 PolarHBondContact O-N 3.18Å; L44-V47 PolarHBondContact O-N 3Å; V47-N51 WeakPolarHBondContact O-CB 3.41Å; V47-N51 PolarHBondContact O-N 3.47Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 2.75Å |
| 48 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.1 | -60.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M23 A24 L44 L45 S46 K50 N51 V52 | M23-A48 HydrophobicContact CB-CB 3.99Å; M23-A48 HydrophobicContact CE-CB 4.23Å; M23-A48 HydrophobicContact CG-CB 3.62Å; M23-A48 HydrophobicContact SD-CB 3.61Å; A24-A48 HydrophobicContact CB-CB 4.06Å; L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.49Å; L44-A48 PolarHBondContact O-N 3.47Å; L45-A48 PolarHBondContact O-N 3.45Å; S46-A48 VanDerWaalsContact C-N 3.33Å; S46-A48 PolarHBondContact O-N 3.28Å; A48-K50 PolarHBondContact O-N 3.37Å; A48-N51 PolarHBondContact O-N 3.36Å; A48-V52 WeakPolarHBondContact O-CG2 3.14Å; A48-V52 PolarHBondContact O-N 3.27Å; A48-V52 VanDerWaalsContact O-N 3.08Å |
| 49 | Y | 97.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.7 | -33.3 | -175.7 | -81.5 | -86.7 | 0 | 0 | 0 | 112.6 | A24 L45 N51 V52 V53 I94 D97 V98 L142 Y167 | A24-Y49 HydrophobicContact CB-CD1 4.45Å; A24-Y49 HydrophobicContact CB-CD2 4.2Å; A24-Y49 HydrophobicContact CB-CE1 4.38Å; A24-Y49 HydrophobicContact CB-CE2 4.11Å; A24-Y49 HydrophobicContact CB-CG 4.36Å; L45-Y49 HydrophobicContact CD1-CD2 3.64Å; L45-Y49 HydrophobicContact CD1-CE2 3.55Å; L45-Y49 HydrophobicContact CG-CD2 4.28Å; L45-Y49 PolarHBondContact O-N 3.37Å; L45-Y49 VanDerWaalsContact O-N 3.12Å; Y49-N51 VanDerWaalsContact C-N 3.33Å; Y49-N51 PolarHBondContact O-N 3.48Å; Y49-V52 PolarHBondContact O-N 3.4Å; Y49-V53 WeakPolarHBondContact O-CB 3.48Å; Y49-V53 VanDerWaalsContact O-CG1 3.27Å; Y49-V53 WeakPolarHBondContact O-CG1 3.43Å; Y49-V53 PolarHBondContact O-N 2.72Å; Y49-I94 HydrophobicContact CD1-CG2 4.08Å; Y49-D97 HydrophobicContact CE1-CB 4.14Å; Y49-V98 HydrophobicContact CD1-CG2 3.43Å; Y49-V98 VanDerWaalsContact CD1-CG2 3.43Å; Y49-V98 HydrophobicContact CD2-CG2 4.37Å; Y49-V98 HydrophobicContact CE1-CG2 3.6Å; Y49-V98 HydrophobicContact CG-CG2 3.85Å; Y49-L142 HydrophobicContact CE2-CD1 3.87Å; Y49-L142 WeakPolarHBondContact OH-CD1 3.47Å; Y49-Y167 VanDerWaalsContact C-OH 3.27Å; Y49-Y167 WeakPolarHBondContact CB-OH 3.48Å |
| 50 | K | 94.2 | Very high | 96.2 | Very high | 118 Ų | 118 | 39.5 Ų | 39.5 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.1 | -45 | 174.2 | -173.5 | -160.7 | 77.6 | 164.5 | 0 | 111.2 | S46 A48 G54 | S46-K50 WeakPolarHBondContact O-CB 3.38Å; S46-K50 PolarHBondContact O-N 2.69Å; A48-K50 PolarHBondContact O-N 3.37Å; K50-G54 WeakPolarHBondContact O-CA 3.04Å; K50-G54 PolarHBondContact O-N 3.21Å |
| 51 | N | 96.8 | Very high | 96.3 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71 | -42.7 | -179.8 | -78.7 | -67.1 | 0 | 0 | 0 | 111.8 | Y20 V47 A48 Y49 G54 A55 | Y20-N51 HydrophobicContact CD1-CB 3.52Å; Y20-N51 HydrophobicContact CD2-CB 3.63Å; Y20-N51 HydrophobicContact CE1-CB 3.9Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.44Å; Y20-N51 HydrophobicContact CE2-CB 4Å; Y20-N51 HydrophobicContact CG-CB 3.36Å; V47-N51 WeakPolarHBondContact O-CB 3.41Å; V47-N51 PolarHBondContact O-N 3.47Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 2.75Å; A48-N51 PolarHBondContact O-N 3.36Å; Y49-N51 VanDerWaalsContact C-N 3.33Å; Y49-N51 PolarHBondContact O-N 3.48Å; N51-G54 PolarHBondContact O-N 2.91Å; N51-A55 PolarHBondContact O-N 3.2Å |
| 52 | V | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -53.8 | 176.5 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | Y20 A24 A48 Y49 G54 A55 R56 I94 | Y20-V52 VanDerWaalsContact O-CG2 3.29Å; Y20-V52 WeakPolarHBondContact O-CG2 3.42Å; A24-V52 HydrophobicContact CB-CG2 4.11Å; A48-V52 WeakPolarHBondContact O-CG2 3.14Å; A48-V52 PolarHBondContact O-N 3.27Å; A48-V52 VanDerWaalsContact O-N 3.08Å; Y49-V52 PolarHBondContact O-N 3.4Å; V52-G54 VanDerWaalsContact C-N 3.35Å; V52-G54 PolarHBondContact O-N 3.34Å; V52-A55 PolarHBondContact O-N 3.39Å; V52-R56 VanDerWaalsContact O-CD 3.23Å; V52-R56 WeakPolarHBondContact O-CD 3.47Å; V52-R56 PolarHBondContact O-N 3.02Å; V52-I94 HydrophobicContact CG1-CD1 3.59Å; V52-I94 HydrophobicContact CG1-CG1 3.95Å; V52-I94 HydrophobicContact CG1-CG2 4.25Å |
| 53 | V | 96.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.9 | -35.4 | -179.7 | 78 | 0 | 0 | 0 | 0 | 111.9 | Y49 A55 R56 R57 L91 I94 Y167 Y170 | Y49-V53 WeakPolarHBondContact O-CB 3.48Å; Y49-V53 VanDerWaalsContact O-CG1 3.27Å; Y49-V53 WeakPolarHBondContact O-CG1 3.43Å; Y49-V53 PolarHBondContact O-N 2.72Å; V53-A55 PolarHBondContact O-N 3.3Å; V53-R56 PolarHBondContact O-N 2.75Å; V53-R57 HydrophobicContact CG2-CG 4.42Å; V53-R57 WeakPolarHBondContact O-CB 3.23Å; V53-R57 WeakPolarHBondContact O-CG 3.42Å; V53-R57 PolarHBondContact O-N 2.88Å; V53-L91 HydrophobicContact CG2-CG 4.37Å; V53-I94 HydrophobicContact CB-CG2 4.01Å; V53-I94 HydrophobicContact CG2-CG2 4.29Å; V53-Y167 HydrophobicContact CB-CE1 4.28Å; V53-Y167 HydrophobicContact CG1-CE1 4.15Å; V53-Y167 HydrophobicContact CG2-CE1 4.43Å; V53-Y170 HydrophobicContact CG1-CD2 3.95Å; V53-Y170 HydrophobicContact CG1-CE2 3.79Å; V53-Y170 HydrophobicContact CG2-CD2 3.92Å; V53-Y170 HydrophobicContact CG2-CG 4.39Å |
| 54 | G | 95.5 | Very high | 96.7 | Very high | 28 Ų | 28 | 40 Ų | 40 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K50 N51 V52 R56 R57 S58 | K50-G54 WeakPolarHBondContact O-CA 3.04Å; K50-G54 PolarHBondContact O-N 3.21Å; N51-G54 PolarHBondContact O-N 2.91Å; V52-G54 VanDerWaalsContact C-N 3.35Å; V52-G54 PolarHBondContact O-N 3.34Å; G54-R56 PolarHBondContact O-N 3.47Å; G54-R57 PolarHBondContact O-N 3.42Å; G54-S58 WeakPolarHBondContact O-CB 3.41Å; G54-S58 PolarHBondContact O-N 3.43Å |
| 55 | A | 97.5 | Very high | 96.6 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 40% | 0.397 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N51 V52 V53 S58 S59 | N51-A55 PolarHBondContact O-N 3.2Å; V52-A55 PolarHBondContact O-N 3.39Å; V53-A55 PolarHBondContact O-N 3.3Å; A55-S58 PolarHBondContact O-N 3.49Å; A55-S59 WeakPolarHBondContact O-CB 3.5Å; A55-S59 PolarHBondContact O-N 3.14Å; A55-S59 PolarHBondContact O-OG 3.38Å |
| 56 | R | 97.9 | Very high | 96.5 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 21% | 0.211 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.8 | -41 | 177.9 | -83.9 | 67.6 | 178.5 | -175.3 | -13.7 | 111.7 | D21 V52 V53 G54 S58 S59 W60 V87 E90 L91 I94 | D21-R56 IonicContact OD1-CZ 2.61Å; D21-R56 IonicContact OD1-NH1 3.54Å; D21-R56 PolarHBondContact OD1-NH1 3.06Å; D21-R56 IonicContact OD1-NH2 3.7Å; D21-R56 PolarHBondContact OD1-NH2 3.21Å; D21-R56 IonicContact OD2-CZ 3.93Å; D21-R56 IonicContact OD2-NH1 3.13Å; D21-R56 PolarHBondContact OD2-NH1 3.09Å; D21-R56 IonicContact OD2-NH2 2.93Å; V52-R56 VanDerWaalsContact O-CD 3.23Å; V52-R56 WeakPolarHBondContact O-CD 3.47Å; V52-R56 PolarHBondContact O-N 3.02Å; V53-R56 PolarHBondContact O-N 2.75Å; G54-R56 PolarHBondContact O-N 3.47Å; R56-S58 PolarHBondContact O-N 2.89Å; R56-S59 PolarHBondContact O-N 3.05Å; R56-W60 WeakPolarHBondContact O-CB 3.38Å; R56-W60 PolarHBondContact O-N 3.41Å; R56-V87 WeakPolarHBondContact O-CG1 3.37Å; R56-E90 HydrophobicContact CG-CB 4.26Å; R56-E90 IonicContact NE-OE2 3.26Å; R56-L91 HydrophobicContact CB-CB 4.38Å; R56-I94 HydrophobicContact CB-CD1 4.39Å; R56-I94 HydrophobicContact CG-CD1 3.88Å |
| 57 | R | 97.7 | Very high | 96.5 | Very high | 34 Ų | 34 | 45 Ų | 45 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 173.1 | -75.6 | 175 | 69.1 | -137.1 | 5.4 | 112.3 | V53 G54 W60 R61 L91 E173 | V53-R57 HydrophobicContact CG2-CG 4.42Å; V53-R57 WeakPolarHBondContact O-CB 3.23Å; V53-R57 WeakPolarHBondContact O-CG 3.42Å; V53-R57 PolarHBondContact O-N 2.88Å; G54-R57 PolarHBondContact O-N 3.42Å; R57-W60 PolarHBondContact O-N 2.92Å; R57-R61 WeakPolarHBondContact O-CG 3.49Å; R57-R61 PolarHBondContact O-N 3.05Å; R57-L91 HydrophobicContact CB-CD1 4.45Å; R57-L91 HydrophobicContact CG-CD1 3.55Å; R57-L91 HydrophobicContact CG-CG 4.49Å; R57-E173 IonicContact CZ-OE1 3.85Å; R57-E173 IonicContact CZ-OE2 3.54Å; R57-E173 VanDerWaalsContact CZ-OE2 3.26Å; R57-E173 IonicContact NE-OE1 3.17Å; R57-E173 IonicContact NE-OE2 3.86Å; R57-E173 PolarHBondContact NE-OE2 3.23Å; R57-E173 IonicContact NH2-OE1 3.52Å; R57-E173 PolarHBondContact NH2-OE1 3.36Å; R57-E173 IonicContact NH2-OE2 3.27Å; R57-E173 PolarHBondContact NH2-OE2 3.36Å |
| 58 | S | 97.6 | Very high | 96.3 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 47% | 0.469 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 176.7 | -169.2 | 0 | 0 | 0 | 0 | 111.4 | G54 A55 R56 W60 R61 V62 | G54-S58 WeakPolarHBondContact O-CB 3.41Å; G54-S58 PolarHBondContact O-N 3.43Å; A55-S58 PolarHBondContact O-N 3.49Å; R56-S58 PolarHBondContact O-N 2.89Å; S58-W60 VanDerWaalsContact C-N 3.31Å; S58-W60 PolarHBondContact O-N 3.35Å; S58-R61 PolarHBondContact O-N 3.23Å; S58-V62 WeakPolarHBondContact O-CG2 3.3Å; S58-V62 PolarHBondContact O-N 3.04Å; S58-V62 VanDerWaalsContact O-N 3.15Å |
| 59 | S | 97.6 | Very high | 96.1 | Very high | 58 Ų | 58 | 58 Ų | 58 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.4 | -45.2 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | A55 R56 R61 V62 I63 | A55-S59 WeakPolarHBondContact O-CB 3.5Å; A55-S59 PolarHBondContact O-N 3.14Å; A55-S59 PolarHBondContact O-OG 3.38Å; R56-S59 PolarHBondContact O-N 3.05Å; S59-R61 PolarHBondContact O-N 2.85Å; S59-V62 PolarHBondContact O-N 2.91Å; S59-I63 VanDerWaalsContact O-CG1 3.31Å; S59-I63 WeakPolarHBondContact O-CG1 3.32Å; S59-I63 PolarHBondContact O-N 3.12Å |
| 60 | W | 97.8 | Very high | 95.8 | Very high | 46 Ų | 46 | 59 Ų | 59 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 178.5 | -178.1 | 80.6 | 0 | 0 | 0 | 112 | R56 R57 S58 V62 I63 S64 V87 E88 E173 V174 | R56-W60 WeakPolarHBondContact O-CB 3.38Å; R56-W60 PolarHBondContact O-N 3.41Å; R57-W60 PolarHBondContact O-N 2.92Å; S58-W60 VanDerWaalsContact C-N 3.31Å; S58-W60 PolarHBondContact O-N 3.35Å; W60-V62 VanDerWaalsContact C-N 3.31Å; W60-V62 PolarHBondContact O-N 3.22Å; W60-I63 PolarHBondContact O-N 3.46Å; W60-S64 VanDerWaalsContact CE2-OG 3.3Å; W60-S64 WeakPolarHBondContact O-CB 3.37Å; W60-S64 PolarHBondContact O-N 3.42Å; W60-S64 PolarHBondContact O-OG 3.4Å; W60-V87 HydrophobicContact CB-CG1 3.88Å; W60-E88 HydrophobicContact CG-CG 4.47Å; W60-E88 PolarHBondContact NE1-OE1 3.02Å; W60-E173 WeakPolarHBondContact CH2-O 3.49Å; W60-V174 HydrophobicContact CD2-CG1 3.8Å; W60-V174 HydrophobicContact CE3-CG1 4.22Å; W60-V174 HydrophobicContact CG-CG1 4.2Å; W60-V174 HydrophobicContact CH2-CG1 4.3Å; W60-V174 HydrophobicContact CZ2-CB 4.32Å; W60-V174 HydrophobicContact CZ2-CG1 3.91Å; W60-V174 HydrophobicContact CZ3-CG1 4.45Å |
| 61 | R | 96.9 | Very high | 95.4 | Very high | 112 Ų | 112 | 61.8 Ų | 61.8 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 177.7 | -70.6 | -174.4 | -171.1 | 98.8 | 2.6 | 112.6 | R57 S58 S59 S65 E173 | R57-R61 WeakPolarHBondContact O-CG 3.49Å; R57-R61 PolarHBondContact O-N 3.05Å; S58-R61 PolarHBondContact O-N 3.23Å; S59-R61 PolarHBondContact O-N 2.85Å; R61-S65 WeakPolarHBondContact O-CB 3.38Å; R61-S65 PolarHBondContact O-N 2.85Å; R61-E173 IonicContact NH2-OE2 2.68Å |
| 62 | V | 97.3 | Very high | 94.7 | Very high | 81 Ų | 81 | 64 Ų | 64 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -49.6 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | S58 S59 W60 S65 I66 | S58-V62 WeakPolarHBondContact O-CG2 3.3Å; S58-V62 PolarHBondContact O-N 3.04Å; S58-V62 VanDerWaalsContact O-N 3.15Å; S59-V62 PolarHBondContact O-N 2.91Å; W60-V62 VanDerWaalsContact C-N 3.31Å; W60-V62 PolarHBondContact O-N 3.22Å; V62-S65 PolarHBondContact O-N 3.03Å; V62-I66 HydrophobicContact CG1-CD1 3.94Å; V62-I66 WeakPolarHBondContact O-CG1 3.43Å; V62-I66 PolarHBondContact O-N 3.49Å |
| 63 | I | 96.5 | Very high | 94.3 | Very high | 29 Ų | 29 | 65.9 Ų | 65.9 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | -177.7 | -60.3 | -59.6 | 0 | 0 | 0 | 111.3 | S59 W60 S65 I66 E67 A80 Y83 R84 | S59-I63 VanDerWaalsContact O-CG1 3.31Å; S59-I63 WeakPolarHBondContact O-CG1 3.32Å; S59-I63 PolarHBondContact O-N 3.12Å; W60-I63 PolarHBondContact O-N 3.46Å; I63-S65 VanDerWaalsContact C-N 3.29Å; I63-S65 PolarHBondContact O-N 3.37Å; I63-I66 HydrophobicContact CD1-CD1 4.31Å; I63-I66 PolarHBondContact O-N 2.98Å; I63-I66 VanDerWaalsContact O-N 3.15Å; I63-E67 WeakPolarHBondContact O-CB 3.44Å; I63-E67 PolarHBondContact O-N 2.96Å; I63-A80 WeakPolarHBondContact CG2-O 3.37Å; I63-Y83 HydrophobicContact CD1-CD1 3.76Å; I63-Y83 HydrophobicContact CD1-CE1 4.06Å; I63-Y83 HydrophobicContact CG1-CD1 3.84Å; I63-Y83 HydrophobicContact CG1-CE1 4.18Å; I63-Y83 HydrophobicContact CG2-CD1 4.26Å; I63-R84 HydrophobicContact CG2-CB 3.87Å |
| 64 | S | 95.6 | Very high | 94 | Very high | 14 Ų | 14 | 73.7 Ų | 73.7 | 10% | 0.098 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59 | -40.1 | 173.8 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | W60 E67 Q68 R84 | W60-S64 VanDerWaalsContact CE2-OG 3.3Å; W60-S64 WeakPolarHBondContact O-CB 3.37Å; W60-S64 PolarHBondContact O-N 3.42Å; W60-S64 PolarHBondContact O-OG 3.4Å; S64-E67 PolarHBondContact O-N 3.49Å; S64-Q68 VanDerWaalsContact O-CG 3.29Å; S64-Q68 WeakPolarHBondContact O-CG 3.48Å; S64-Q68 PolarHBondContact O-N 3.34Å; S64-Q68 VanDerWaalsContact O-N 3.07Å; S64-R84 WeakPolarHBondContact OG-CD 3.35Å |
| 65 | S | 95.6 | Very high | 93.9 | Very high | 38 Ų | 38 | 80 Ų | 80 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 175.2 | -167.1 | 0 | 0 | 0 | 0 | 112.6 | R61 V62 I63 Q68 K69 | R61-S65 WeakPolarHBondContact O-CB 3.38Å; R61-S65 PolarHBondContact O-N 2.85Å; V62-S65 PolarHBondContact O-N 3.03Å; I63-S65 VanDerWaalsContact C-N 3.29Å; I63-S65 PolarHBondContact O-N 3.37Å; S65-Q68 PolarHBondContact O-N 2.8Å; S65-K69 WeakPolarHBondContact O-CB 3.4Å; S65-K69 WeakPolarHBondContact O-CG 3.28Å; S65-K69 PolarHBondContact O-N 3.12Å; S65-K69 WeakPolarHBondContact OG-CE 3.49Å; S65-K69 PolarHBondContact OG-NZ 3.47Å; S65-K69 VanDerWaalsContact OG-NZ 3.15Å |
| 66 | I | 94.8 | Very high | 93.7 | Very high | 82 Ų | 82 | 84.4 Ų | 84.4 | 42% | 0.421 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.6 | -69.4 | 166.8 | 0 | 0 | 0 | 110.4 | V62 I63 Q68 K69 T70 | V62-I66 HydrophobicContact CG1-CD1 3.94Å; V62-I66 WeakPolarHBondContact O-CG1 3.43Å; V62-I66 PolarHBondContact O-N 3.49Å; I63-I66 HydrophobicContact CD1-CD1 4.31Å; I63-I66 PolarHBondContact O-N 2.98Å; I63-I66 VanDerWaalsContact O-N 3.15Å; I66-Q68 VanDerWaalsContact C-N 3.32Å; I66-Q68 PolarHBondContact O-N 2.84Å; I66-K69 PolarHBondContact O-N 3.26Å; I66-T70 WeakPolarHBondContact O-CB 3.48Å; I66-T70 PolarHBondContact O-N 3.44Å; I66-T70 PolarHBondContact O-OG1 2.93Å |
| 67 | E | 93.7 | Very high | 93.4 | Very high | 32 Ų | 32 | 85 Ų | 85 | 15% | 0.15 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 177.5 | -171.4 | -166.7 | 146.1 | 0 | 0 | 111.4 | I63 S64 A80 R81 R84 | I63-E67 WeakPolarHBondContact O-CB 3.44Å; I63-E67 PolarHBondContact O-N 2.96Å; S64-E67 PolarHBondContact O-N 3.49Å; E67-A80 HydrophobicContact CB-CB 3.94Å; E67-A80 HydrophobicContact CG-CB 4.2Å; E67-R81 HydrophobicContact CG-CG 3.79Å; E67-R81 WeakPolarHBondContact OE1-CG 3.25Å; E67-R84 WeakPolarHBondContact OE2-CD 3.48Å; E67-R84 IonicContact OE2-CZ 3.46Å; E67-R84 IonicContact OE2-NE 2.83Å; E67-R84 PolarHBondContact OE2-NE 3.2Å |
| 68 | Q | 91.4 | Very high | 93.3 | Very high | 158 Ų | 158 | 87.1 Ų | 87.1 | 74% | 0.738 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.6 | -36.7 | 179.8 | -72.6 | 171.9 | -4.9 | 0 | 0 | 113.3 | S64 S65 I66 | S64-Q68 VanDerWaalsContact O-CG 3.29Å; S64-Q68 WeakPolarHBondContact O-CG 3.48Å; S64-Q68 PolarHBondContact O-N 3.34Å; S64-Q68 VanDerWaalsContact O-N 3.07Å; S65-Q68 PolarHBondContact O-N 2.8Å; I66-Q68 VanDerWaalsContact C-N 3.32Å; I66-Q68 PolarHBondContact O-N 2.84Å |
| 69 | K | 93.5 | Very high | 93.2 | Very high | 156 Ų | 156 | 89.5 Ų | 89.5 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -88.1 | -8.7 | -177.4 | -68.8 | 171.8 | 179.2 | 164.9 | 0 | 113.9 | S65 I66 E71 | S65-K69 WeakPolarHBondContact O-CB 3.4Å; S65-K69 WeakPolarHBondContact O-CG 3.28Å; S65-K69 PolarHBondContact O-N 3.12Å; S65-K69 WeakPolarHBondContact OG-CE 3.49Å; S65-K69 PolarHBondContact OG-NZ 3.47Å; S65-K69 VanDerWaalsContact OG-NZ 3.15Å; I66-K69 PolarHBondContact O-N 3.26Å; K69-E71 PolarHBondContact O-N 2.86Å |
| 70 | T | 90.6 | Very high | 93.1 | Very high | 30 Ų | 30 | 87.2 Ų | 87.2 | 18% | 0.184 | 44% | 0.443 | C | S | . | . | trans | -79.5 | 104.7 | -177.8 | -64.8 | 0 | 0 | 0 | 0 | 110.2 | I66 K76 Q77 | I66-T70 WeakPolarHBondContact O-CB 3.48Å; I66-T70 PolarHBondContact O-N 3.44Å; I66-T70 PolarHBondContact O-OG1 2.93Å; T70-K76 HydrophobicContact CG2-CB 3.74Å; T70-Q77 HydrophobicContact CG2-CB 4.31Å | ||
| 71 | E | 86.3 | Confident | 92.9 | Very high | 175 Ų | 175 | 87.9 Ų | 87.9 | 82% | 0.818 | 45% | 0.445 | S | S | * | . | trans | -106.9 | 157.5 | 175.3 | -64 | -178.5 | -176.4 | 0 | 0 | 112.2 | K69 S73 | K69-E71 PolarHBondContact O-N 2.86Å; E71-S73 VanDerWaalsContact C-N 3.27Å; E71-S73 PolarHBondContact O-N 2.88Å; E71-S73 VanDerWaalsContact O-N 3.16Å | ||
| 72 | G | 81.2 | Confident | 92.9 | Very high | 94 Ų | 94 | 86.6 Ų | 86.6 | 97% | 0.969 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 74.7 | 1.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 73 | S | 88.2 | Confident | 92.9 | Very high | 44 Ų | 44 | 88.7 Ų | 88.7 | 31% | 0.308 | 45% | 0.447 | S | S | . | . | trans | -143.8 | 100.1 | 172.9 | -174.9 | 0 | 0 | 0 | 0 | 112 | E71 K75 K76 Q77 | E71-S73 VanDerWaalsContact C-N 3.27Å; E71-S73 PolarHBondContact O-N 2.88Å; E71-S73 VanDerWaalsContact O-N 3.16Å; S73-K75 PolarHBondContact O-N 3.36Å; S73-K76 PolarHBondContact O-N 2.91Å; S73-K76 VanDerWaalsContact O-N 3.12Å; S73-Q77 PolarHBondContact O-N 3.13Å | ||
| 74 | E | 91.1 | Very high | 92.9 | Very high | 166 Ų | 166 | 89.2 Ų | 89.2 | 78% | 0.776 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -53.8 | -39.6 | 176.5 | -69.3 | -177 | 168 | 0 | 0 | 112.2 | K76 Q77 Q78 | E74-K76 PolarHBondContact O-N 2.93Å; E74-Q77 PolarHBondContact O-N 3.09Å; E74-Q78 WeakPolarHBondContact O-CB 3.2Å; E74-Q78 PolarHBondContact O-N 3.4Å |
| 75 | K | 94 | Very high | 93 | Very high | 159 Ų | 159 | 93.2 Ų | 93.2 | 69% | 0.691 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 178.7 | -174.2 | 176.5 | 179.8 | 178.6 | 0 | 112.3 | S73 Q77 Q78 M79 | S73-K75 PolarHBondContact O-N 3.36Å; K75-Q77 VanDerWaalsContact C-N 3.35Å; K75-Q78 PolarHBondContact O-N 3.06Å; K75-M79 HydrophobicContact CG-SD 4.36Å; K75-M79 VanDerWaalsContact O-CG 3.28Å; K75-M79 WeakPolarHBondContact O-CG 3.17Å; K75-M79 PolarHBondContact O-N 3.36Å |
| 76 | K | 92.3 | Very high | 93 | Very high | 142 Ų | 142 | 96.8 Ų | 96.8 | 62% | 0.617 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67 | -40.2 | 177.9 | -71.8 | -175.6 | 177.8 | -178.8 | 0 | 111.2 | T70 S73 E74 Q78 M79 A80 | T70-K76 HydrophobicContact CG2-CB 3.74Å; S73-K76 PolarHBondContact O-N 2.91Å; S73-K76 VanDerWaalsContact O-N 3.12Å; E74-K76 PolarHBondContact O-N 2.93Å; K76-Q78 VanDerWaalsContact C-N 3.33Å; K76-Q78 PolarHBondContact O-N 3.4Å; K76-M79 PolarHBondContact O-N 3.32Å; K76-A80 PolarHBondContact O-N 3.06Å |
| 77 | Q | 92.7 | Very high | 93.1 | Very high | 67 Ų | 67 | 93.1 Ų | 93.1 | 31% | 0.313 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 177.9 | -153.3 | -169 | 21.6 | 0 | 0 | 111.4 | T70 S73 E74 K75 A80 R81 | T70-Q77 HydrophobicContact CG2-CB 4.31Å; S73-Q77 PolarHBondContact O-N 3.13Å; E74-Q77 PolarHBondContact O-N 3.09Å; K75-Q77 VanDerWaalsContact C-N 3.35Å; Q77-A80 PolarHBondContact O-N 2.95Å; Q77-R81 VanDerWaalsContact CG-NH1 3.31Å; Q77-R81 PolarHBondContact O-N 3.32Å; Q77-R81 VanDerWaalsContact OE1-NH1 3.11Å |
| 78 | Q | 94.8 | Very high | 93.2 | Very high | 80 Ų | 80 | 92.2 Ų | 92.2 | 37% | 0.374 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 174.9 | -169.3 | 59.4 | 39.6 | 0 | 0 | 112.2 | E74 K75 K76 A80 R81 D82 | E74-Q78 WeakPolarHBondContact O-CB 3.2Å; E74-Q78 PolarHBondContact O-N 3.4Å; K75-Q78 PolarHBondContact O-N 3.06Å; K76-Q78 VanDerWaalsContact C-N 3.33Å; K76-Q78 PolarHBondContact O-N 3.4Å; Q78-A80 VanDerWaalsContact C-N 3.28Å; Q78-A80 PolarHBondContact O-N 3.05Å; Q78-R81 WeakPolarHBondContact O-CB 3.48Å; Q78-R81 PolarHBondContact O-N 3.05Å; Q78-D82 PolarHBondContact NE2-OD1 2.91Å; Q78-D82 VanDerWaalsContact O-CG 3.26Å; Q78-D82 PolarHBondContact O-N 3.36Å |
| 79 | M | 95.4 | Very high | 93.4 | Very high | 116 Ų | 116 | 90.6 Ų | 90.6 | 57% | 0.571 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.5 | -38.4 | 176.3 | -71.4 | 174.4 | 65.6 | 0 | 0 | 112.3 | K75 K76 Y83 | K75-M79 HydrophobicContact CG-SD 4.36Å; K75-M79 VanDerWaalsContact O-CG 3.28Å; K75-M79 WeakPolarHBondContact O-CG 3.17Å; K75-M79 PolarHBondContact O-N 3.36Å; K76-M79 PolarHBondContact O-N 3.32Å; M79-Y83 WeakPolarHBondContact O-CB 3.35Å; M79-Y83 PolarHBondContact O-N 3.25Å |
| 80 | A | 94.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 86.4 Ų | 86.4 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I63 E67 K76 Q77 Q78 Y83 R84 | I63-A80 WeakPolarHBondContact CG2-O 3.37Å; E67-A80 HydrophobicContact CB-CB 3.94Å; E67-A80 HydrophobicContact CG-CB 4.2Å; K76-A80 PolarHBondContact O-N 3.06Å; Q77-A80 PolarHBondContact O-N 2.95Å; Q78-A80 VanDerWaalsContact C-N 3.28Å; Q78-A80 PolarHBondContact O-N 3.05Å; A80-Y83 PolarHBondContact O-N 2.86Å; A80-R84 WeakPolarHBondContact O-CB 3.43Å; A80-R84 PolarHBondContact O-N 3.1Å |
| 81 | R | 95.2 | Very high | 93.7 | Very high | 60 Ų | 60 | 85 Ų | 85 | 23% | 0.226 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -56.5 | -54.2 | 174 | -84.6 | -173.1 | -66 | -98.9 | 3.5 | 112.7 | E67 Q77 Q78 Y83 R84 E85 | E67-R81 HydrophobicContact CG-CG 3.79Å; E67-R81 WeakPolarHBondContact OE1-CG 3.25Å; Q77-R81 VanDerWaalsContact CG-NH1 3.31Å; Q77-R81 PolarHBondContact O-N 3.32Å; Q77-R81 VanDerWaalsContact OE1-NH1 3.11Å; Q78-R81 WeakPolarHBondContact O-CB 3.48Å; Q78-R81 PolarHBondContact O-N 3.05Å; R81-Y83 PolarHBondContact O-N 3.17Å; R81-R84 WeakPolarHBondContact O-CB 3.2Å; R81-R84 PolarHBondContact O-N 3.25Å; R81-R84 VanDerWaalsContact O-N 3.11Å; R81-E85 WeakPolarHBondContact O-CG 3.38Å; R81-E85 PolarHBondContact O-N 2.83Å |
| 82 | D | 96.8 | Very high | 94 | Very high | 85 Ų | 85 | 80.5 Ų | 80.5 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.3 | -38.3 | -177.3 | -63.2 | -14.5 | 0 | 0 | 0 | 111 | Q78 K86 | Q78-D82 PolarHBondContact NE2-OD1 2.91Å; Q78-D82 VanDerWaalsContact O-CG 3.26Å; Q78-D82 PolarHBondContact O-N 3.36Å; D82-K86 PolarHBondContact O-N 3.11Å; D82-K86 VanDerWaalsContact O-N 3.14Å |
| 83 | Y | 97.3 | Very high | 94.6 | Very high | 125 Ų | 125 | 80 Ų | 80 | 49% | 0.49 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.7 | -37.8 | 178 | -160 | -111.1 | 0 | 0 | 0 | 112.5 | I63 M79 A80 R81 E85 K86 V87 | I63-Y83 HydrophobicContact CD1-CD1 3.76Å; I63-Y83 HydrophobicContact CD1-CE1 4.06Å; I63-Y83 HydrophobicContact CG1-CD1 3.84Å; I63-Y83 HydrophobicContact CG1-CE1 4.18Å; I63-Y83 HydrophobicContact CG2-CD1 4.26Å; M79-Y83 WeakPolarHBondContact O-CB 3.35Å; M79-Y83 PolarHBondContact O-N 3.25Å; A80-Y83 PolarHBondContact O-N 2.86Å; R81-Y83 PolarHBondContact O-N 3.17Å; Y83-E85 VanDerWaalsContact C-N 3.34Å; Y83-E85 PolarHBondContact O-N 3.38Å; Y83-K86 HydrophobicContact CD2-CD 4.48Å; Y83-K86 HydrophobicContact CE2-CD 4.4Å; Y83-K86 WeakPolarHBondContact O-CB 3.45Å; Y83-K86 PolarHBondContact O-N 3.3Å; Y83-V87 HydrophobicContact CD1-CG2 4.43Å; Y83-V87 HydrophobicContact CE1-CG2 4.25Å; Y83-V87 WeakPolarHBondContact O-CG2 3.46Å; Y83-V87 PolarHBondContact O-N 2.8Å; Y83-V87 VanDerWaalsContact O-N 3.07Å |
| 84 | R | 96.6 | Very high | 94.8 | Very high | 39 Ų | 39 | 78.8 Ų | 78.8 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.2 | -50.8 | 171.4 | -178.9 | -169.4 | 52.1 | 76.6 | 10.5 | 110 | I63 S64 E67 A80 R81 K86 V87 E88 | I63-R84 HydrophobicContact CG2-CB 3.87Å; S64-R84 WeakPolarHBondContact OG-CD 3.35Å; E67-R84 WeakPolarHBondContact OE2-CD 3.48Å; E67-R84 IonicContact OE2-CZ 3.46Å; E67-R84 IonicContact OE2-NE 2.83Å; E67-R84 PolarHBondContact OE2-NE 3.2Å; A80-R84 WeakPolarHBondContact O-CB 3.43Å; A80-R84 PolarHBondContact O-N 3.1Å; R81-R84 WeakPolarHBondContact O-CB 3.2Å; R81-R84 PolarHBondContact O-N 3.25Å; R81-R84 VanDerWaalsContact O-N 3.11Å; R84-K86 VanDerWaalsContact C-N 3.28Å; R84-K86 PolarHBondContact O-N 3.44Å; R84-V87 PolarHBondContact O-N 3.11Å; R84-V87 VanDerWaalsContact O-N 3.09Å; R84-E88 HydrophobicContact CG-CG 4.42Å; R84-E88 IonicContact CZ-OE1 3.42Å; R84-E88 IonicContact NH1-OE1 2.75Å; R84-E88 PolarHBondContact NH1-OE1 3.41Å; R84-E88 IonicContact NH1-OE2 2.93Å; R84-E88 PolarHBondContact NH1-OE2 3.33Å; R84-E88 VanDerWaalsContact NH1-OE2 3.13Å; R84-E88 WeakPolarHBondContact O-CG 3.49Å; R84-E88 PolarHBondContact O-N 3.28Å |
| 85 | E | 96.1 | Very high | 94.9 | Very high | 98 Ų | 98 | 70.9 Ų | 70.9 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | -178 | -70.6 | 179.1 | -178.8 | 0 | 0 | 112.6 | R81 Y83 E88 K89 | R81-E85 WeakPolarHBondContact O-CG 3.38Å; R81-E85 PolarHBondContact O-N 2.83Å; Y83-E85 VanDerWaalsContact C-N 3.34Å; Y83-E85 PolarHBondContact O-N 3.38Å; E85-E88 PolarHBondContact O-N 3.08Å; E85-K89 PolarHBondContact O-N 3.42Å |
| 86 | K | 97.2 | Very high | 94.8 | Very high | 114 Ų | 114 | 65.6 Ų | 65.6 | 50% | 0.496 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -49.7 | 171.3 | -176.2 | -175.7 | 174.1 | -171.8 | 0 | 111.6 | D82 Y83 R84 E88 K89 E90 | D82-K86 PolarHBondContact O-N 3.11Å; D82-K86 VanDerWaalsContact O-N 3.14Å; Y83-K86 HydrophobicContact CD2-CD 4.48Å; Y83-K86 HydrophobicContact CE2-CD 4.4Å; Y83-K86 WeakPolarHBondContact O-CB 3.45Å; Y83-K86 PolarHBondContact O-N 3.3Å; R84-K86 VanDerWaalsContact C-N 3.28Å; R84-K86 PolarHBondContact O-N 3.44Å; K86-E88 VanDerWaalsContact C-N 3.3Å; K86-E88 PolarHBondContact O-N 3.43Å; K86-K89 WeakPolarHBondContact O-CB 3.44Å; K86-K89 PolarHBondContact O-N 3.48Å; K86-E90 WeakPolarHBondContact CE-OE1 3.29Å; K86-E90 PolarHBondContact O-N 3.45Å |
| 87 | V | 97 | Very high | 94.7 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 178.9 | 177 | 0 | 0 | 0 | 0 | 111.1 | R56 W60 Y83 R84 K89 E90 L91 | R56-V87 WeakPolarHBondContact O-CG1 3.37Å; W60-V87 HydrophobicContact CB-CG1 3.88Å; Y83-V87 HydrophobicContact CD1-CG2 4.43Å; Y83-V87 HydrophobicContact CE1-CG2 4.25Å; Y83-V87 WeakPolarHBondContact O-CG2 3.46Å; Y83-V87 PolarHBondContact O-N 2.8Å; Y83-V87 VanDerWaalsContact O-N 3.07Å; R84-V87 PolarHBondContact O-N 3.11Å; R84-V87 VanDerWaalsContact O-N 3.09Å; V87-K89 VanDerWaalsContact C-N 3.35Å; V87-E90 PolarHBondContact O-N 3.21Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 PolarHBondContact O-N 3.5Å |
| 88 | E | 95.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 58.7 Ų | 58.7 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 174.3 | -73.6 | -176 | 179.3 | 0 | 0 | 112.7 | W60 R84 E85 K86 E90 L91 R92 V174 | W60-E88 HydrophobicContact CG-CG 4.47Å; W60-E88 PolarHBondContact NE1-OE1 3.02Å; R84-E88 HydrophobicContact CG-CG 4.42Å; R84-E88 IonicContact CZ-OE1 3.42Å; R84-E88 IonicContact NH1-OE1 2.75Å; R84-E88 PolarHBondContact NH1-OE1 3.41Å; R84-E88 IonicContact NH1-OE2 2.93Å; R84-E88 PolarHBondContact NH1-OE2 3.33Å; R84-E88 VanDerWaalsContact NH1-OE2 3.13Å; R84-E88 WeakPolarHBondContact O-CG 3.49Å; R84-E88 PolarHBondContact O-N 3.28Å; E85-E88 PolarHBondContact O-N 3.08Å; K86-E88 VanDerWaalsContact C-N 3.3Å; K86-E88 PolarHBondContact O-N 3.43Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E88-L91 PolarHBondContact O-N 3.41Å; E88-R92 WeakPolarHBondContact O-CB 3.48Å; E88-R92 WeakPolarHBondContact O-CG 3.3Å; E88-R92 PolarHBondContact O-N 2.87Å; E88-R92 IonicContact OE2-NH1 3.02Å; E88-R92 PolarHBondContact OE2-NH1 3.33Å; E88-V174 HydrophobicContact CG-CB 4.2Å; E88-V174 HydrophobicContact CG-CG1 4.35Å |
| 89 | K | 94.9 | Very high | 94.4 | Very high | 124 Ų | 124 | 54.9 Ų | 54.9 | 54% | 0.539 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 175.6 | -172.1 | -171.7 | 172.5 | -166.8 | 0 | 110.4 | E85 K86 V87 L91 R92 D93 | E85-K89 PolarHBondContact O-N 3.42Å; K86-K89 WeakPolarHBondContact O-CB 3.44Å; K86-K89 PolarHBondContact O-N 3.48Å; V87-K89 VanDerWaalsContact C-N 3.35Å; K89-L91 VanDerWaalsContact C-N 3.3Å; K89-L91 PolarHBondContact O-N 2.96Å; K89-R92 PolarHBondContact O-N 3.42Å; K89-D93 WeakPolarHBondContact O-CB 3.46Å; K89-D93 PolarHBondContact O-N 3.38Å |
| 90 | E | 95.8 | Very high | 93.2 | Very high | 67 Ų | 67 | 50 Ų | 50 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.7 | -43.8 | 176 | -67.6 | 175.3 | -161.8 | 0 | 0 | 111.6 | R56 K86 V87 E88 D93 I94 | R56-E90 HydrophobicContact CG-CB 4.26Å; R56-E90 IonicContact NE-OE2 3.26Å; K86-E90 WeakPolarHBondContact CE-OE1 3.29Å; K86-E90 PolarHBondContact O-N 3.45Å; V87-E90 PolarHBondContact O-N 3.21Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E90-D93 PolarHBondContact O-N 2.87Å; E90-I94 VanDerWaalsContact O-CD1 3.29Å; E90-I94 WeakPolarHBondContact O-CD1 3.36Å; E90-I94 VanDerWaalsContact O-CG1 3.23Å; E90-I94 WeakPolarHBondContact O-CG1 3.4Å; E90-I94 PolarHBondContact O-N 3.2Å |
| 91 | L | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -46 | 176.7 | -172.9 | 158.3 | 0 | 0 | 0 | 111.8 | V53 R56 R57 V87 E88 K89 I94 C95 V174 | V53-L91 HydrophobicContact CG2-CG 4.37Å; R56-L91 HydrophobicContact CB-CB 4.38Å; R57-L91 HydrophobicContact CB-CD1 4.45Å; R57-L91 HydrophobicContact CG-CD1 3.55Å; R57-L91 HydrophobicContact CG-CG 4.49Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 PolarHBondContact O-N 3.5Å; E88-L91 PolarHBondContact O-N 3.41Å; K89-L91 VanDerWaalsContact C-N 3.3Å; K89-L91 PolarHBondContact O-N 2.96Å; L91-I94 PolarHBondContact O-N 2.99Å; L91-C95 PolarHBondContact O-N 3Å; L91-C95 PolarHBondContact O-SG 3.26Å; L91-V174 HydrophobicContact CD1-CG1 3.99Å; L91-V174 HydrophobicContact CD2-CG1 4.43Å; L91-V174 HydrophobicContact CD2-CG2 4.01Å |
| 92 | R | 92.6 | Very high | 89.5 | Confident | 82 Ų | 82 | 59.5 Ų | 59.5 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 177.3 | -75.8 | -172.9 | -69.6 | -97.6 | -2.7 | 111.1 | E88 K89 I94 C95 H96 L171 V174 | E88-R92 WeakPolarHBondContact O-CB 3.48Å; E88-R92 WeakPolarHBondContact O-CG 3.3Å; E88-R92 PolarHBondContact O-N 2.87Å; E88-R92 IonicContact OE2-NH1 3.02Å; E88-R92 PolarHBondContact OE2-NH1 3.33Å; K89-R92 PolarHBondContact O-N 3.42Å; R92-I94 VanDerWaalsContact C-N 3.32Å; R92-I94 PolarHBondContact O-N 2.74Å; R92-C95 PolarHBondContact O-N 2.89Å; R92-C95 VanDerWaalsContact O-N 3.13Å; R92-H96 WeakPolarHBondContact O-CB 3.03Å; R92-H96 VanDerWaalsContact O-CG 3.25Å; R92-H96 PolarHBondContact O-N 3.42Å; R92-H96 PolarHBondContact O-ND1 3.09Å; R92-L171 HydrophobicContact CB-CD2 4.23Å; R92-L171 HydrophobicContact CG-CD2 3.82Å; R92-V174 HydrophobicContact CG-CG2 4.48Å |
| 93 | D | 92.5 | Very high | 87.2 | Confident | 83 Ų | 83 | 56.1 Ų | 56.1 | 44% | 0.444 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 178.3 | -66.3 | -15.7 | 0 | 0 | 0 | 110.8 | K89 E90 C95 H96 D97 | K89-D93 WeakPolarHBondContact O-CB 3.46Å; K89-D93 PolarHBondContact O-N 3.38Å; E90-D93 PolarHBondContact O-N 2.87Å; D93-C95 PolarHBondContact O-N 3.49Å; D93-H96 PolarHBondContact O-N 2.85Å; D93-D97 PolarHBondContact O-N 3.13Å |
| 94 | I | 93.5 | Very high | 84.7 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 174.7 | -65.7 | 155.1 | 0 | 0 | 0 | 111.6 | Y49 V52 V53 R56 E90 L91 R92 D97 V98 | Y49-I94 HydrophobicContact CD1-CG2 4.08Å; V52-I94 HydrophobicContact CG1-CD1 3.59Å; V52-I94 HydrophobicContact CG1-CG1 3.95Å; V52-I94 HydrophobicContact CG1-CG2 4.25Å; V53-I94 HydrophobicContact CB-CG2 4.01Å; V53-I94 HydrophobicContact CG2-CG2 4.29Å; R56-I94 HydrophobicContact CB-CD1 4.39Å; R56-I94 HydrophobicContact CG-CD1 3.88Å; E90-I94 VanDerWaalsContact O-CD1 3.29Å; E90-I94 WeakPolarHBondContact O-CD1 3.36Å; E90-I94 VanDerWaalsContact O-CG1 3.23Å; E90-I94 WeakPolarHBondContact O-CG1 3.4Å; E90-I94 PolarHBondContact O-N 3.2Å; L91-I94 PolarHBondContact O-N 2.99Å; R92-I94 VanDerWaalsContact C-N 3.32Å; R92-I94 PolarHBondContact O-N 2.74Å; I94-D97 WeakPolarHBondContact O-CB 3.27Å; I94-D97 PolarHBondContact O-N 2.89Å; I94-V98 PolarHBondContact O-N 3.38Å |
| 95 | C | 94 | Very high | 82.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 179.3 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | L91 R92 D93 D97 V98 L99 Y167 L171 | L91-C95 PolarHBondContact O-N 3Å; L91-C95 PolarHBondContact O-SG 3.26Å; R92-C95 PolarHBondContact O-N 2.89Å; R92-C95 VanDerWaalsContact O-N 3.13Å; D93-C95 PolarHBondContact O-N 3.49Å; C95-D97 VanDerWaalsContact C-N 3.28Å; C95-D97 PolarHBondContact O-N 3.4Å; C95-V98 PolarHBondContact O-N 3.39Å; C95-V98 VanDerWaalsContact O-N 3.12Å; C95-L99 VanDerWaalsContact O-CB 3.28Å; C95-L99 WeakPolarHBondContact O-CB 3.29Å; C95-L99 WeakPolarHBondContact O-CG 3.23Å; C95-L99 PolarHBondContact O-N 3.01Å; C95-Y167 HydrophobicContact CB-CD1 4.18Å; C95-L171 HydrophobicContact CB-CD1 3.94Å; C95-L171 HydrophobicContact CB-CD2 3.6Å; C95-L171 HydrophobicContact CB-CG 3.56Å |
| 96 | H | 90.6 | Very high | 79.8 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 22% | 0.222 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.6 | -20.4 | 176.1 | -63.8 | 162.5 | 0 | 0 | 0 | 113.4 | R92 D93 V98 L99 W101 | R92-H96 WeakPolarHBondContact O-CB 3.03Å; R92-H96 VanDerWaalsContact O-CG 3.25Å; R92-H96 PolarHBondContact O-N 3.42Å; R92-H96 PolarHBondContact O-ND1 3.09Å; D93-H96 PolarHBondContact O-N 2.85Å; H96-V98 VanDerWaalsContact C-N 3.27Å; H96-L99 CarbonylContact C-O 3.46Å; H96-W101 HydrophobicContact CB-CB 4.31Å; H96-W101 AromaticContact CD2-CD1 3.85Å; H96-W101 AromaticContact CD2-CG 3.85Å; H96-W101 AromaticContact CE1-CD1 3.66Å; H96-W101 AromaticContact CE1-CD2 3.86Å; H96-W101 AromaticContact CE1-CE2 3.93Å; H96-W101 AromaticContact CE1-CG 3.72Å; H96-W101 AromaticContact CE1-NE1 3.8Å; H96-W101 AromaticContact ND1-CG 3.99Å; H96-W101 AromaticContact NE2-CD1 3.32Å; H96-W101 VanDerWaalsContact NE2-CD1 3.32Å; H96-W101 AromaticContact NE2-CG 3.65Å; H96-W101 AromaticContact NE2-NE1 3.77Å |
| 97 | D | 90.8 | Very high | 77.3 | Confident | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 167.4 | -103.3 | 12.2 | 0 | 0 | 0 | 111.2 | K28 Y49 D93 I94 C95 L142 | K28-D97 IonicContact NZ-OD1 2.82Å; K28-D97 PolarHBondContact NZ-OD1 2.94Å; K28-D97 IonicContact NZ-OD2 3.21Å; K28-D97 PolarHBondContact NZ-OD2 3.47Å; Y49-D97 HydrophobicContact CE1-CB 4.14Å; D93-D97 PolarHBondContact O-N 3.13Å; I94-D97 WeakPolarHBondContact O-CB 3.27Å; I94-D97 PolarHBondContact O-N 2.89Å; C95-D97 VanDerWaalsContact C-N 3.28Å; C95-D97 PolarHBondContact O-N 3.4Å; D97-L142 WeakPolarHBondContact O-CG 3.38Å; D97-L142 PolarHBondContact O-N 2.9Å |
| 98 | V | 92.6 | Very high | 74.8 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -87 | -38.9 | -178.1 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | Y49 I94 C95 H96 L142 L143 M163 Y167 | Y49-V98 HydrophobicContact CD1-CG2 3.43Å; Y49-V98 VanDerWaalsContact CD1-CG2 3.43Å; Y49-V98 HydrophobicContact CD2-CG2 4.37Å; Y49-V98 HydrophobicContact CE1-CG2 3.6Å; Y49-V98 HydrophobicContact CG-CG2 3.85Å; I94-V98 PolarHBondContact O-N 3.38Å; C95-V98 PolarHBondContact O-N 3.39Å; C95-V98 VanDerWaalsContact O-N 3.12Å; H96-V98 VanDerWaalsContact C-N 3.27Å; V98-L142 PolarHBondContact O-N 3.49Å; V98-L143 HydrophobicContact CG1-CD1 3.53Å; V98-L143 HydrophobicContact CG1-CG 3.79Å; V98-L143 WeakPolarHBondContact O-CB 3.47Å; V98-L143 WeakPolarHBondContact O-CG 3.45Å; V98-L143 PolarHBondContact O-N 3.09Å; V98-M163 HydrophobicContact CG1-CE 3.97Å; V98-Y167 HydrophobicContact CB-CD1 4.09Å; V98-Y167 HydrophobicContact CB-CD2 4.11Å; V98-Y167 HydrophobicContact CB-CE1 4.26Å; V98-Y167 HydrophobicContact CB-CE2 4.32Å; V98-Y167 HydrophobicContact CB-CG 4.05Å; V98-Y167 HydrophobicContact CG1-CD1 4.38Å; V98-Y167 HydrophobicContact CG1-CD2 3.49Å; V98-Y167 VanDerWaalsContact CG1-CD2 3.49Å; V98-Y167 HydrophobicContact CG1-CE2 3.73Å; V98-Y167 HydrophobicContact CG1-CG 3.9Å; V98-Y167 HydrophobicContact CG2-CD1 4.17Å; V98-Y167 HydrophobicContact CG2-CD2 4.48Å; V98-Y167 HydrophobicContact CG2-CE1 3.84Å; V98-Y167 HydrophobicContact CG2-CE2 4.22Å |
| 99 | L | 88.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -100.9 | 151.5 | -176 | -63.6 | 174.7 | 0 | 0 | 0 | 112.1 | C95 H96 W101 G141 L143 K164 Y168 L171 | C95-L99 VanDerWaalsContact O-CB 3.28Å; C95-L99 WeakPolarHBondContact O-CB 3.29Å; C95-L99 WeakPolarHBondContact O-CG 3.23Å; C95-L99 PolarHBondContact O-N 3.01Å; H96-L99 CarbonylContact C-O 3.46Å; L99-W101 PolarHBondContact O-N 3.47Å; L99-G141 VanDerWaalsContact C-CA 3.49Å; L99-G141 WeakPolarHBondContact O-CA 3.41Å; L99-L143 HydrophobicContact CD2-CD1 4.09Å; L99-K164 HydrophobicContact CD2-CB 4.37Å; L99-K164 HydrophobicContact CD2-CG 3.74Å; L99-Y168 HydrophobicContact CD1-CD1 3.76Å; L99-Y168 HydrophobicContact CD1-CD2 4.01Å; L99-Y168 HydrophobicContact CD1-CE1 3.91Å; L99-Y168 HydrophobicContact CD1-CE2 4.15Å; L99-Y168 HydrophobicContact CD1-CG 3.8Å; L99-Y168 HydrophobicContact CD2-CD2 3.83Å; L99-Y168 HydrophobicContact CD2-CE2 3.71Å; L99-Y168 HydrophobicContact CD2-CG 4.45Å; L99-Y168 HydrophobicContact CG-CE2 4.46Å; L99-L171 HydrophobicContact CD1-CD1 3.67Å |
| 100 | V | 69.7 | Low | 70.3 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | trans | -64.8 | 135.6 | 164.6 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | F102 D140 D144 | V100-F102 HydrophobicContact CG1-CE2 4.32Å; V100-D140 HydrophobicContact CG2-CB 4.45Å; V100-D144 HydrophobicContact CG2-CB 3.33Å; V100-D144 WeakPolarHBondContact CG2-OD2 3.41Å | ||
| 101 | W | 58.8 | Low | 68 | Low | 134 Ų | 134 | 70.4 Ų | 70.4 | 51% | 0.508 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -122.1 | 122.2 | 167.3 | -171.2 | 63.3 | 0 | 0 | 0 | 110.7 | H96 L99 A103 | H96-W101 HydrophobicContact CB-CB 4.31Å; H96-W101 AromaticContact CD2-CD1 3.85Å; H96-W101 AromaticContact CD2-CG 3.85Å; H96-W101 AromaticContact CE1-CD1 3.66Å; H96-W101 AromaticContact CE1-CD2 3.86Å; H96-W101 AromaticContact CE1-CE2 3.93Å; H96-W101 AromaticContact CE1-CG 3.72Å; H96-W101 AromaticContact CE1-NE1 3.8Å; H96-W101 AromaticContact ND1-CG 3.99Å; H96-W101 AromaticContact NE2-CD1 3.32Å; H96-W101 VanDerWaalsContact NE2-CD1 3.32Å; H96-W101 AromaticContact NE2-CG 3.65Å; H96-W101 AromaticContact NE2-NE1 3.77Å; L99-W101 PolarHBondContact O-N 3.47Å; W101-A103 HydrophobicContact CE3-CB 3.68Å; W101-A103 HydrophobicContact CH2-CB 3.98Å; W101-A103 HydrophobicContact CZ3-CB 3.34Å; W101-A103 PolarHBondContact O-N 3.45Å; W101-A103 VanDerWaalsContact O-N 3.12Å |
| 102 | F | 53.3 | Low | 65.6 | Low | 135 Ų | 135 | 74.6 Ų | 74.6 | 59% | 0.592 | 39% | 0.386 | S | S | * | . | trans | -77.3 | 94.1 | 167.3 | -75.5 | -76.4 | 0 | 0 | 0 | 108.6 | V100 V104 E138 | V100-F102 HydrophobicContact CG1-CE2 4.32Å; F102-V104 PolarHBondContact O-N 3.12Å; F102-V104 VanDerWaalsContact O-N 3.09Å; F102-E138 HydrophobicContact CE1-CG 4.06Å | ||
| 103 | A | 48.7 | Very low | 63.2 | Low | 15 Ų | 15 | 75.3 Ų | 75.3 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | trans | -64.9 | 110.1 | 162 | 0 | 0 | 0 | 0 | 0 | 107.4 | W101 I105 F137 | W101-A103 HydrophobicContact CE3-CB 3.68Å; W101-A103 HydrophobicContact CH2-CB 3.98Å; W101-A103 HydrophobicContact CZ3-CB 3.34Å; W101-A103 PolarHBondContact O-N 3.45Å; W101-A103 VanDerWaalsContact O-N 3.12Å; A103-I105 HydrophobicContact CB-CD1 3.82Å; A103-I105 HydrophobicContact CB-CG1 3.97Å; A103-I105 PolarHBondContact O-N 3.31Å; A103-F137 HydrophobicContact CB-CD1 4.45Å | ||
| 104 | V | 43.8 | Very low | 61 | Low | 104 Ų | 104 | 82.8 Ų | 82.8 | 63% | 0.63 | 42% | 0.424 | S | S | * | . | trans | -71 | 57.3 | 171.3 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | F102 C106 F107 | F102-V104 PolarHBondContact O-N 3.12Å; F102-V104 VanDerWaalsContact O-N 3.09Å; V104-C106 PolarHBondContact O-N 2.88Å; V104-F107 HydrophobicContact CG1-CD2 3.93Å | ||
| 105 | I | 46.6 | Very low | 58.6 | Low | 63 Ų | 63 | 89.5 Ų | 89.5 | 32% | 0.323 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7.3 | 174.2 | -73.1 | 172.5 | 0 | 0 | 0 | 110.5 | A103 F107 L108 V109 F137 | A103-I105 HydrophobicContact CB-CD1 3.82Å; A103-I105 HydrophobicContact CB-CG1 3.97Å; A103-I105 PolarHBondContact O-N 3.31Å; I105-F107 VanDerWaalsContact C-N 3.26Å; I105-F107 PolarHBondContact O-N 3.43Å; I105-L108 PolarHBondContact O-N 3.27Å; I105-V109 HydrophobicContact CG2-CG2 3.53Å; I105-V109 WeakPolarHBondContact O-CG2 3.04Å; I105-V109 PolarHBondContact O-N 2.93Å; I105-F137 HydrophobicContact CD1-CD1 4.13Å; I105-F137 HydrophobicContact CD1-CE1 3.5Å; I105-F137 VanDerWaalsContact CD1-CE1 3.5Å; I105-F137 HydrophobicContact CD1-CZ 3.95Å; I105-F137 HydrophobicContact CG2-CE2 4.4Å; I105-F137 HydrophobicContact CG2-CZ 4.38Å |
| 106 | C | 44.1 | Very low | 56.2 | Low | 79 Ų | 79 | 95.7 Ų | 95.7 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -22.3 | 171.9 | -84.1 | 0 | 0 | 0 | 0 | 114.5 | V104 | V104-C106 PolarHBondContact O-N 2.88Å |
| 107 | F | 44.3 | Very low | 54.1 | Low | 168 Ų | 168 | 103.6 Ų | 103.6 | 74% | 0.737 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -82.2 | -18.6 | 178.7 | -101.9 | -81.9 | 0 | 0 | 0 | 114.5 | V104 I105 | V104-F107 HydrophobicContact CG1-CD2 3.93Å; I105-F107 VanDerWaalsContact C-N 3.26Å; I105-F107 PolarHBondContact O-N 3.43Å |
| 108 | L | 44.9 | Very low | 52.3 | Low | 154 Ų | 154 | 106.2 Ų | 106.2 | 81% | 0.806 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -104.9 | -22.1 | -176.1 | -66.8 | 177.8 | 0 | 0 | 0 | 113.8 | I105 | I105-L108 PolarHBondContact O-N 3.27Å |
| 109 | V | 51.2 | Low | 50.5 | Low | 97 Ų | 97 | 111.7 Ų | 111.7 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -84.7 | -17 | -179.4 | -176.4 | 0 | 0 | 0 | 0 | 112.4 | I105 P111 | I105-V109 HydrophobicContact CG2-CG2 3.53Å; I105-V109 WeakPolarHBondContact O-CG2 3.04Å; I105-V109 PolarHBondContact O-N 2.93Å; V109-P111 VanDerWaalsContact C-CD 3.47Å; V109-P111 WeakPolarHBondContact O-CD 3.45Å |
| 110 | F | 45.8 | Very low | 49 | Very low | 113 Ų | 113 | 115.1 Ų | 115.1 | 50% | 0.496 | 60% | 0.598 | S | S | . | * | trans | -112.4 | 84.8 | 174.1 | -82.6 | -86.6 | 0 | 0 | 0 | 112.6 | P112 | F110-P112 HydrophobicContact CD1-CG 4.46Å; F110-P112 WeakPolarHBondContact O-CD 3.21Å | ||
| 111 | P | 46 | Very low | 48.2 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 70% | 0.695 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -65.4 | -12.1 | 173.1 | 24 | -30.6 | 0 | 0 | 0 | 117.6 | V109 C113 | V109-P111 VanDerWaalsContact C-CD 3.47Å; V109-P111 WeakPolarHBondContact O-CD 3.45Å; P111-C113 VanDerWaalsContact C-N 3.33Å; P111-C113 PolarHBondContact O-N 3.46Å |
| 112 | P | 44.3 | Very low | 47.7 | Very low | 88 Ų | 88 | 115.1 Ų | 115.1 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -79.4 | -7.3 | -179.8 | 28.7 | -27.5 | 0 | 0 | 0 | 114.8 | F110 R114 | F110-P112 HydrophobicContact CD1-CG 4.46Å; F110-P112 WeakPolarHBondContact O-CD 3.21Å; P112-R114 PolarHBondContact O-N 3.17Å |
| 113 | C | 43.2 | Very low | 47.7 | Very low | 97 Ų | 97 | 113.6 Ų | 113.6 | 66% | 0.655 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -71.4 | -7.2 | 177.6 | -79.3 | 0 | 0 | 0 | 0 | 114.7 | P111 L115 | P111-C113 VanDerWaalsContact C-N 3.33Å; P111-C113 PolarHBondContact O-N 3.46Å; C113-L115 VanDerWaalsContact C-N 3.26Å; C113-L115 PolarHBondContact O-N 3.44Å |
| 114 | R | 45.3 | Very low | 48 | Very low | 240 Ų | 240 | 119.6 Ų | 119.6 | 91% | 0.906 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -73.9 | -7.7 | 175.5 | -87.4 | -171.6 | -170 | -136.7 | 1.6 | 114.7 | P112 | P112-R114 PolarHBondContact O-N 3.17Š|
| 115 | L | 43.2 | Very low | 48.1 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 83% | 0.832 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -141.8 | 35.7 | -167.9 | -134.7 | 90.3 | 0 | 0 | 0 | 117.1 | C113 | C113-L115 VanDerWaalsContact C-N 3.26Å; C113-L115 PolarHBondContact O-N 3.44Å |
| 116 | Q | 45.1 | Very low | 48.1 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 61% | 0.612 | 64% | 0.639 | S | S | * | * | trans | -128.6 | 111 | 171.8 | -73.2 | -168.4 | -17.5 | 0 | 0 | 113.2 | N118 | Q116-N118 VanDerWaalsContact C-N 3.31Å; Q116-N118 PolarHBondContact O-N 3.47Å | ||
| 117 | K | 45.9 | Very low | 48.4 | Very low | 214 Ų | 214 | 128.3 Ų | 128.3 | 93% | 0.93 | 65% | 0.65 | S | S | * | * | trans | -88.3 | 28.5 | 178.8 | -66.5 | -174 | 176.1 | -178.1 | 0 | 113.7 | ||||
| 118 | N | 52.8 | Low | 48.6 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | trans | -132.2 | 116.5 | -178.8 | -113.4 | -17.9 | 0 | 0 | 0 | 112.5 | Q116 A120 T121 | Q116-N118 VanDerWaalsContact C-N 3.31Å; Q116-N118 PolarHBondContact O-N 3.47Å; N118-A120 PolarHBondContact O-N 2.9Å; N118-T121 PolarHBondContact O-N 3.49Å | ||
| 119 | V | 54.9 | Low | 49 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 70% | 0.697 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.6 | -26.1 | -177 | -169.5 | 0 | 0 | 0 | 0 | 112 | ||
| 120 | A | 56.2 | Low | 48.8 | Very low | 72 Ų | 72 | 124.6 Ų | 124.6 | 60% | 0.595 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.4 | -32.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N118 | N118-A120 PolarHBondContact O-N 2.9Å |
| 121 | T | 54.3 | Low | 48.9 | Very low | 46 Ų | 46 | 123.7 Ų | 123.7 | 28% | 0.282 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -78.6 | -27.8 | -179.7 | -39 | 0 | 0 | 0 | 0 | 111.6 | N118 Q124 Y125 | N118-T121 PolarHBondContact O-N 3.49Å; T121-Q124 PolarHBondContact O-N 2.92Å; T121-Y125 HydrophobicContact CG2-CE2 4.44Å |
| 122 | L | 48.8 | Very low | 48.8 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.3 | -38.5 | 176.9 | -145.6 | 88.2 | 0 | 0 | 0 | 111.9 | Q124 L126 | L122-Q124 VanDerWaalsContact C-N 3.34Å; L122-Q124 PolarHBondContact O-N 3.19Å; L122-L126 WeakPolarHBondContact O-CD1 3.41Å; L122-L126 PolarHBondContact O-N 3.17Å |
| 123 | L | 52.4 | Low | 48.6 | Very low | 103 Ų | 103 | 125 Ų | 125 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73.5 | -22.8 | -179.3 | -77.3 | 166.3 | 0 | 0 | 0 | 113.5 | ||
| 124 | Q | 55.5 | Low | 48.5 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 66% | 0.659 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -81.8 | -28.1 | -178.7 | -141.8 | 167.9 | 5.2 | 0 | 0 | 112.7 | T121 L122 | T121-Q124 PolarHBondContact O-N 2.92Å; L122-Q124 VanDerWaalsContact C-N 3.34Å; L122-Q124 PolarHBondContact O-N 3.19Å |
| 125 | Y | 46.1 | Very low | 48.3 | Very low | 170 Ų | 170 | 119.8 Ų | 119.8 | 67% | 0.667 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.4 | -31.8 | 173.2 | -84.3 | -86.3 | 0 | 0 | 0 | 113 | T121 F127 L128 | T121-Y125 HydrophobicContact CG2-CE2 4.44Å; Y125-F127 PolarHBondContact O-N 3.01Å; Y125-L128 PolarHBondContact O-N 3.48Å |
| 126 | L | 46.1 | Very low | 48.1 | Very low | 87 Ų | 87 | 120.6 Ų | 120.6 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.3 | -20.7 | 177.3 | -85.7 | 159.4 | 0 | 0 | 0 | 114.2 | L122 M130 | L122-L126 WeakPolarHBondContact O-CD1 3.41Å; L122-L126 PolarHBondContact O-N 3.17Å; L126-M130 WeakPolarHBondContact O-CE 3.41Å |
| 127 | F | 51.1 | Low | 48 | Very low | 171 Ų | 171 | 119 Ų | 119 | 75% | 0.75 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -11.4 | -177.7 | -92 | -85.8 | 0 | 0 | 0 | 115.4 | Y125 | Y125-F127 PolarHBondContact O-N 3.01Š|
| 128 | L | 48.6 | Very low | 48 | Very low | 151 Ų | 151 | 113.1 Ų | 113.1 | 79% | 0.791 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -12 | -176.3 | -84.8 | 154.7 | 0 | 0 | 0 | 114.4 | Y125 | Y125-L128 PolarHBondContact O-N 3.48Š|
| 129 | D | 52 | Low | 48.1 | Very low | 63 Ų | 63 | 114.6 Ų | 114.6 | 34% | 0.337 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -123.6 | 7.4 | -170.6 | -129.5 | -20 | 0 | 0 | 0 | 114.7 | S131 Y132 C133 | D129-S131 PolarHBondContact O-N 2.93Å; D129-Y132 PolarHBondContact O-N 3.26Å; D129-Y132 WeakPolarHBondContact OD1-CB 3.49Å; D129-C133 PolarHBondContact O-N 3.2Å; D129-C133 VanDerWaalsContact O-N 3.13Å |
| 130 | M | 48.4 | Very low | 48.6 | Very low | 128 Ų | 128 | 111.5 Ų | 111.5 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66 | -21.9 | -178.9 | -145.2 | 89 | 82.8 | 0 | 0 | 112.9 | L126 T134 | L126-M130 WeakPolarHBondContact O-CE 3.41Å; M130-T134 PolarHBondContact O-OG1 3.4Å; M130-T134 VanDerWaalsContact O-OG1 3.07Å |
| 131 | S | 47.5 | Very low | 49.9 | Very low | 94 Ų | 94 | 108.2 Ų | 108.2 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -94.3 | -14.1 | 178.5 | -163.7 | 0 | 0 | 0 | 0 | 113.9 | D129 T134 | D129-S131 PolarHBondContact O-N 2.93Å; S131-T134 PolarHBondContact O-OG1 2.66Å |
| 132 | Y | 42.6 | Very low | 51.7 | Low | 158 Ų | 158 | 106.3 Ų | 106.3 | 62% | 0.62 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -98.2 | -34.1 | 179.8 | -106.6 | -89.4 | 0 | 0 | 0 | 111.5 | D129 Q135 | D129-Y132 PolarHBondContact O-N 3.26Å; D129-Y132 WeakPolarHBondContact OD1-CB 3.49Å; Y132-Q135 PolarHBondContact O-N 3.1Å |
| 133 | C | 40.9 | Very low | 53.9 | Low | 64 Ų | 64 | 101.3 Ų | 101.3 | 43% | 0.432 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -33.9 | 172.7 | -94.4 | 0 | 0 | 0 | 0 | 113.6 | D129 Q135 | D129-C133 PolarHBondContact O-N 3.2Å; D129-C133 VanDerWaalsContact O-N 3.13Å; C133-Q135 PolarHBondContact O-N 3.43Å |
| 134 | T | 41.4 | Very low | 55.8 | Low | 86 Ų | 86 | 98.5 Ų | 98.5 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.6 | 177.1 | 40.8 | 0 | 0 | 0 | 0 | 113.3 | M130 S131 | M130-T134 PolarHBondContact O-OG1 3.4Å; M130-T134 VanDerWaalsContact O-OG1 3.07Å; S131-T134 PolarHBondContact O-OG1 2.66Å |
| 135 | Q | 40.6 | Very low | 57.4 | Low | 141 Ų | 141 | 97.8 Ų | 97.8 | 66% | 0.659 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -9.2 | -176.4 | -142 | 173.8 | 6.1 | 0 | 0 | 114 | Y132 C133 | Y132-Q135 PolarHBondContact O-N 3.1Å; C133-Q135 PolarHBondContact O-N 3.43Å |
| 136 | Y | 38.7 | Very low | 59.5 | Low | 177 Ų | 177 | 91.5 Ų | 91.5 | 69% | 0.694 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | -13.7 | -168 | -86.2 | -83.3 | 0 | 0 | 0 | 117.4 | ||
| 137 | F | 43.7 | Very low | 61.8 | Low | 96 Ų | 96 | 87.6 Ų | 87.6 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | trans | -152.6 | 38.5 | -174.5 | -102.5 | -79.1 | 0 | 0 | 0 | 116 | A103 I105 F139 | A103-F137 HydrophobicContact CB-CD1 4.45Å; I105-F137 HydrophobicContact CD1-CD1 4.13Å; I105-F137 HydrophobicContact CD1-CE1 3.5Å; I105-F137 VanDerWaalsContact CD1-CE1 3.5Å; I105-F137 HydrophobicContact CD1-CZ 3.95Å; I105-F137 HydrophobicContact CG2-CE2 4.4Å; I105-F137 HydrophobicContact CG2-CZ 4.38Å; F137-F139 HydrophobicContact CD1-CD2 4.41Å; F137-F139 HydrophobicContact CD1-CE2 4.47Å; F137-F139 HydrophobicContact CE1-CE2 4.19Å | ||
| 138 | E | 45.7 | Very low | 63.8 | Low | 92 Ų | 92 | 81 Ų | 81 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | trans | -95.6 | 95.8 | 159.9 | -122.5 | 169.7 | -175 | 0 | 0 | 107.5 | F102 D140 | F102-E138 HydrophobicContact CE1-CG 4.06Å; E138-D140 WeakPolarHBondContact CB-OD1 3.16Å; E138-D140 WeakPolarHBondContact CG-OD1 3.34Å; E138-D140 PolarHBondContact O-N 3.05Å | ||
| 139 | F | 54.2 | Low | 65.9 | Low | 147 Ų | 147 | 78.2 Ų | 78.2 | 65% | 0.645 | 38% | 0.383 | S | S | * | . | B | Isolated β-bridge | trans | -75 | 83.5 | 165.3 | -94.3 | -87 | 0 | 0 | 0 | 106.6 | F137 G141 | F137-F139 HydrophobicContact CD1-CD2 4.41Å; F137-F139 HydrophobicContact CD1-CE2 4.47Å; F137-F139 HydrophobicContact CE1-CE2 4.19Å; F139-G141 PolarHBondContact O-N 3.07Å |
| 140 | D | 66.9 | Low | 67.8 | Low | 51 Ų | 51 | 78.7 Ų | 78.7 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | trans | -71.2 | 116.9 | -177.1 | -54.7 | -48.2 | 0 | 0 | 0 | 110.2 | V100 E138 R145 | V100-D140 HydrophobicContact CG2-CB 4.45Å; E138-D140 WeakPolarHBondContact CB-OD1 3.16Å; E138-D140 WeakPolarHBondContact CG-OD1 3.34Å; E138-D140 PolarHBondContact O-N 3.05Å; D140-R145 HydrophobicContact CB-CB 3.54Å; D140-R145 HydrophobicContact CB-CG 4.15Å; D140-R145 IonicContact OD2-NH1 2.73Å | ||
| 141 | G | 82.5 | Confident | 70 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | trans | -64.4 | 161.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L99 F139 L143 D144 R145 | L99-G141 VanDerWaalsContact C-CA 3.49Å; L99-G141 WeakPolarHBondContact O-CA 3.41Å; F139-G141 PolarHBondContact O-N 3.07Å; G141-L143 PolarHBondContact O-N 3.28Å; G141-L143 VanDerWaalsContact O-N 3.1Å; G141-D144 PolarHBondContact O-N 3.47Å; G141-R145 PolarHBondContact O-N 2.96Å; G141-R145 VanDerWaalsContact O-N 3.14Å | ||
| 142 | L | 92.8 | Very high | 72.1 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -50.9 | -40.2 | -177.8 | -67.5 | 171.8 | 0 | 0 | 0 | 112.9 | K28 T31 E32 L45 Y49 D97 V98 Y146 L147 | K28-L142 HydrophobicContact CB-CD1 4.48Å; K28-L142 HydrophobicContact CG-CD1 4.15Å; K28-L142 HydrophobicContact CG-CD2 4.05Å; T31-L142 HydrophobicContact CG2-CB 4.29Å; T31-L142 HydrophobicContact CG2-CD2 3.71Å; T31-L142 HydrophobicContact CG2-CG 4.5Å; E32-L142 HydrophobicContact CG-CD2 4.03Å; L45-L142 HydrophobicContact CD1-CD1 4.49Å; Y49-L142 HydrophobicContact CE2-CD1 3.87Å; Y49-L142 WeakPolarHBondContact OH-CD1 3.47Å; D97-L142 WeakPolarHBondContact O-CG 3.38Å; D97-L142 PolarHBondContact O-N 2.9Å; V98-L142 PolarHBondContact O-N 3.49Å; L142-Y146 HydrophobicContact CD2-CD2 4.23Å; L142-Y146 WeakPolarHBondContact O-CB 3.39Å; L142-Y146 PolarHBondContact O-N 3.16Å; L142-Y146 VanDerWaalsContact O-N 3.09Å; L142-L147 HydrophobicContact CB-CD1 4.33Å; L142-L147 WeakPolarHBondContact O-CG 3.49Å; L142-L147 PolarHBondContact O-N 3.4Å |
| 143 | L | 94.5 | Very high | 74.6 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -65 | -54.4 | -176.9 | -73.1 | 172.8 | 0 | 0 | 0 | 112.8 | V98 L99 G141 L147 I148 Y160 M163 K164 | V98-L143 HydrophobicContact CG1-CD1 3.53Å; V98-L143 HydrophobicContact CG1-CG 3.79Å; V98-L143 WeakPolarHBondContact O-CB 3.47Å; V98-L143 WeakPolarHBondContact O-CG 3.45Å; V98-L143 PolarHBondContact O-N 3.09Å; L99-L143 HydrophobicContact CD2-CD1 4.09Å; G141-L143 PolarHBondContact O-N 3.28Å; G141-L143 VanDerWaalsContact O-N 3.1Å; L143-L147 HydrophobicContact CD2-CB 4.41Å; L143-L147 HydrophobicContact CD2-CD1 3.84Å; L143-L147 PolarHBondContact O-N 2.73Å; L143-I148 HydrophobicContact CB-CD1 4.06Å; L143-I148 HydrophobicContact CB-CG1 4.47Å; L143-I148 WeakPolarHBondContact O-CB 3.23Å; L143-I148 WeakPolarHBondContact O-CG1 3.46Å; L143-I148 PolarHBondContact O-N 3.37Å; L143-Y160 HydrophobicContact CD2-CD1 4.04Å; L143-Y160 HydrophobicContact CD2-CG 4.34Å; L143-M163 HydrophobicContact CD1-CB 4.32Å; L143-M163 HydrophobicContact CD1-CG 4.27Å; L143-M163 HydrophobicContact CD2-CB 4.22Å; L143-M163 HydrophobicContact CD2-CG 4.33Å; L143-M163 HydrophobicContact CD2-SD 4.1Å; L143-K164 HydrophobicContact CD1-CB 3.8Å; L143-K164 HydrophobicContact CD1-CG 4.38Å |
| 144 | D | 91.2 | Very high | 77.2 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -79.1 | -27.6 | -172.1 | -65.6 | -49.5 | 0 | 0 | 0 | 112.7 | V100 G141 P149 K164 | V100-D144 HydrophobicContact CG2-CB 3.33Å; V100-D144 WeakPolarHBondContact CG2-OD2 3.41Å; G141-D144 PolarHBondContact O-N 3.47Å; D144-P149 VanDerWaalsContact O-CD 3.22Å; D144-P149 WeakPolarHBondContact O-CD 3.45Å; D144-P149 WeakPolarHBondContact O-CG 3.36Å; D144-K164 VanDerWaalsContact CG-NZ 3.31Å; D144-K164 IonicContact OD1-NZ 3.75Å; D144-K164 PolarHBondContact OD1-NZ 3.36Å; D144-K164 IonicContact OD2-NZ 3.96Å; D144-K164 PolarHBondContact OD2-NZ 3.46Å; D144-K164 VanDerWaalsContact OD2-NZ 3.14Å |
| 145 | R | 89.3 | Confident | 79.8 | Confident | 127 Ų | 127 | 67.1 Ų | 67.1 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | I | π-helix | trans | -86.7 | -43.7 | 178.8 | -176.8 | 161 | 174.8 | 173.4 | 3.8 | 114.5 | D140 G141 | D140-R145 HydrophobicContact CB-CB 3.54Å; D140-R145 HydrophobicContact CB-CG 4.15Å; D140-R145 IonicContact OD2-NH1 2.73Å; G141-R145 PolarHBondContact O-N 2.96Å; G141-R145 VanDerWaalsContact O-N 3.14Å |
| 146 | Y | 91.2 | Very high | 82.4 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -111.3 | -28.4 | -165.3 | -62.6 | -82.9 | 0 | 0 | 0 | 113.3 | T31 E32 L142 K150 | T31-Y146 HydrophobicContact CG2-CG 4.18Å; T31-Y146 WeakPolarHBondContact O-CD1 3.44Å; E32-Y146 HydrophobicContact CB-CE1 4.45Å; E32-Y146 HydrophobicContact CG-CE2 4.06Å; E32-Y146 VanDerWaalsContact O-CE1 3.3Å; E32-Y146 WeakPolarHBondContact O-CE1 3.44Å; L142-Y146 HydrophobicContact CD2-CD2 4.23Å; L142-Y146 WeakPolarHBondContact O-CB 3.39Å; L142-Y146 PolarHBondContact O-N 3.16Å; L142-Y146 VanDerWaalsContact O-N 3.09Å; Y146-K150 WeakPolarHBondContact O-CD 3.49Å |
| 147 | L | 94 | Very high | 85.1 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -107.9 | -61.7 | -166.6 | -59.7 | 171.9 | 0 | 0 | 0 | 113.2 | T31 L37 L45 L142 L143 K150 A151 Y160 | T31-L147 HydrophobicContact CG2-CD1 4.17Å; T31-L147 HydrophobicContact CG2-CD2 3.68Å; T31-L147 HydrophobicContact CG2-CG 3.84Å; L37-L147 HydrophobicContact CD1-CD2 3.62Å; L37-L147 HydrophobicContact CG-CD2 3.9Å; L45-L147 HydrophobicContact CD2-CD1 3.62Å; L142-L147 HydrophobicContact CB-CD1 4.33Å; L142-L147 WeakPolarHBondContact O-CG 3.49Å; L142-L147 PolarHBondContact O-N 3.4Å; L143-L147 HydrophobicContact CD2-CB 4.41Å; L143-L147 HydrophobicContact CD2-CD1 3.84Å; L143-L147 PolarHBondContact O-N 2.73Å; L147-K150 CarbonylContact O-C 3.56Å; L147-K150 PolarHBondContact O-N 2.96Å; L147-A151 PolarHBondContact O-N 2.84Å; L147-A151 VanDerWaalsContact O-N 3.1Å; L147-Y160 HydrophobicContact CB-CD1 3.87Å; L147-Y160 HydrophobicContact CB-CD2 4.01Å; L147-Y160 HydrophobicContact CB-CE1 3.85Å; L147-Y160 HydrophobicContact CB-CE2 3.98Å; L147-Y160 HydrophobicContact CB-CG 3.97Å; L147-Y160 HydrophobicContact CD1-CD1 4.11Å; L147-Y160 HydrophobicContact CD1-CE1 3.97Å; L147-Y160 HydrophobicContact CD2-CE1 3.93Å; L147-Y160 HydrophobicContact CG-CD1 4.45Å; L147-Y160 HydrophobicContact CG-CE1 4.13Å |
| 148 | I | 94 | Very high | 87.7 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 17% | 0.169 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -58.2 | -46.7 | -176.2 | -66.8 | 169.8 | 0 | 0 | 0 | 111.8 | L143 K150 A151 L161 K164 | L143-I148 HydrophobicContact CB-CD1 4.06Å; L143-I148 HydrophobicContact CB-CG1 4.47Å; L143-I148 WeakPolarHBondContact O-CB 3.23Å; L143-I148 WeakPolarHBondContact O-CG1 3.46Å; L143-I148 PolarHBondContact O-N 3.37Å; I148-K150 PolarHBondContact O-N 3.49Å; I148-K150 VanDerWaalsContact O-N 3.17Å; I148-A151 WeakPolarHBondContact O-CB 3.2Å; I148-A151 PolarHBondContact O-N 3.23Å; I148-L161 HydrophobicContact CD1-CD2 4.13Å; I148-K164 HydrophobicContact CD1-CD 3.97Å |
| 149 | P | 92.6 | Very high | 90.1 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -65 | -20.1 | 178.9 | -22 | 33.8 | 0 | 0 | 0 | 114.2 | D144 | D144-P149 VanDerWaalsContact O-CD 3.22Å; D144-P149 WeakPolarHBondContact O-CD 3.45Å; D144-P149 WeakPolarHBondContact O-CG 3.36Å |
| 150 | K | 91.3 | Very high | 92.1 | Very high | 73 Ų | 73 | 40.9 Ų | 40.9 | 32% | 0.317 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -101 | -0.3 | -178.6 | -63.6 | -172.5 | -175.9 | 150.8 | 0 | 113.1 | G34 E36 Y146 L147 I148 T152 | G34-K150 VanDerWaalsContact C-NZ 3.29Å; G34-K150 WeakPolarHBondContact O-CD 3.27Å; G34-K150 WeakPolarHBondContact O-CE 3.41Å; G34-K150 PolarHBondContact O-NZ 3.45Å; E36-K150 VanDerWaalsContact CD-O 3.31Å; E36-K150 VanDerWaalsContact OE1-O 3.12Å; Y146-K150 WeakPolarHBondContact O-CD 3.49Å; L147-K150 CarbonylContact O-C 3.56Å; L147-K150 PolarHBondContact O-N 2.96Å; I148-K150 PolarHBondContact O-N 3.49Å; I148-K150 VanDerWaalsContact O-N 3.17Å; K150-T152 PolarHBondContact O-N 3.3Å; K150-T152 VanDerWaalsContact O-N 3.09Å |
| 151 | A | 93.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 38.6 Ų | 38.6 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | trans | -68.4 | 105.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L147 I148 S156 K157 Y160 | L147-A151 PolarHBondContact O-N 2.84Å; L147-A151 VanDerWaalsContact O-N 3.1Å; I148-A151 WeakPolarHBondContact O-CB 3.2Å; I148-A151 PolarHBondContact O-N 3.23Å; A151-S156 WeakPolarHBondContact CA-OG 3.5Å; A151-S156 WeakPolarHBondContact CB-OG 3.39Å; A151-K157 HydrophobicContact CB-CB 4Å; A151-Y160 HydrophobicContact CB-CD2 3.92Å; A151-Y160 HydrophobicContact CB-CE2 4.12Å | ||
| 152 | T | 93.5 | Very high | 94.3 | Very high | 103 Ų | 103 | 40.3 Ų | 40.3 | 63% | 0.632 | 21% | 0.207 | S | C | * | . | trans | -88.4 | -23.3 | -177.2 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | E36 K150 S156 | E36-T152 PolarHBondContact OE1-N 2.86Å; E36-T152 PolarHBondContact OE1-OG1 2.95Å; K150-T152 PolarHBondContact O-N 3.3Å; K150-T152 VanDerWaalsContact O-N 3.09Å; T152-S156 PolarHBondContact N-OG 2.93Å | ||
| 153 | T | 94.7 | Very high | 94.5 | Very high | 53 Ų | 53 | 40.5 Ų | 40.5 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -111.9 | 152.5 | -178.6 | 87.6 | 0 | 0 | 0 | 0 | 112.3 | E155 S156 K157 | T153-E155 WeakPolarHBondContact CB-OE2 3.44Å; T153-E155 PolarHBondContact O-N 2.88Å; T153-E155 PolarHBondContact OG1-N 2.95Å; T153-E155 PolarHBondContact OG1-OE2 2.86Å; T153-S156 PolarHBondContact N-OG 3.28Å; T153-S156 VanDerWaalsContact N-OG 3.16Å; T153-S156 PolarHBondContact O-N 2.87Å; T153-S156 VanDerWaalsContact O-N 3.17Å; T153-S156 PolarHBondContact O-OG 3.46Å; T153-S156 PolarHBondContact OG1-N 3.08Å; T153-S156 PolarHBondContact OG1-OG 3.37Å; T153-K157 PolarHBondContact O-N 3.02Å |
| 154 | P | 95.9 | Very high | 94.6 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 29% | 0.286 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54 | -40.5 | 174.1 | -24.8 | 34.3 | 0 | 0 | 0 | 113 | S156 K157 V158 K201 | P154-S156 PolarHBondContact O-N 2.96Å; P154-K157 PolarHBondContact O-N 3.38Å; P154-V158 WeakPolarHBondContact O-CB 3.47Å; P154-V158 VanDerWaalsContact O-CG2 3.25Å; P154-V158 WeakPolarHBondContact O-CG2 3.23Å; P154-V158 PolarHBondContact O-N 3.19Å; P154-K201 HydrophobicContact CB-CB 3.6Å; P154-K201 HydrophobicContact CB-CG 4.17Å; P154-K201 HydrophobicContact CG-CB 3.83Å; P154-K201 HydrophobicContact CG-CG 4.11Å |
| 155 | E | 95.2 | Very high | 94.9 | Very high | 65 Ų | 65 | 40.5 Ų | 40.5 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 178.6 | -58.2 | 80.2 | -176.7 | 0 | 0 | 111.2 | T153 F159 M202 I208 | T153-E155 WeakPolarHBondContact CB-OE2 3.44Å; T153-E155 PolarHBondContact O-N 2.88Å; T153-E155 PolarHBondContact OG1-N 2.95Å; T153-E155 PolarHBondContact OG1-OE2 2.86Å; E155-F159 WeakPolarHBondContact O-CB 3.33Å; E155-F159 PolarHBondContact O-N 3.44Å; E155-M202 HydrophobicContact CB-CE 4.49Å; E155-M202 HydrophobicContact CG-CE 4.05Å; E155-I208 HydrophobicContact CB-CD1 4.06Å |
| 156 | S | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.7 | -42.6 | 177.9 | 68.8 | 0 | 0 | 0 | 0 | 112 | R42 A151 T152 T153 P154 F159 Y160 | R42-S156 VanDerWaalsContact NH2-CB 3.33Å; A151-S156 WeakPolarHBondContact CA-OG 3.5Å; A151-S156 WeakPolarHBondContact CB-OG 3.39Å; T152-S156 PolarHBondContact N-OG 2.93Å; T153-S156 PolarHBondContact N-OG 3.28Å; T153-S156 VanDerWaalsContact N-OG 3.16Å; T153-S156 PolarHBondContact O-N 2.87Å; T153-S156 VanDerWaalsContact O-N 3.17Å; T153-S156 PolarHBondContact O-OG 3.46Å; T153-S156 PolarHBondContact OG1-N 3.08Å; T153-S156 PolarHBondContact OG1-OG 3.37Å; P154-S156 PolarHBondContact O-N 2.96Å; S156-F159 PolarHBondContact O-N 3.38Å; S156-Y160 WeakPolarHBondContact O-CD2 3.43Å; S156-Y160 PolarHBondContact O-N 3.42Å |
| 157 | K | 96.7 | Very high | 95.5 | Very high | 69 Ų | 69 | 33.4 Ų | 33.4 | 30% | 0.3 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.5 | -48.7 | 179.3 | -176 | 170.2 | 177.9 | 179.6 | 0 | 111.2 | A151 T153 P154 F159 Y160 L161 E193 V197 | A151-K157 HydrophobicContact CB-CB 4Å; T153-K157 PolarHBondContact O-N 3.02Å; P154-K157 PolarHBondContact O-N 3.38Å; K157-F159 VanDerWaalsContact C-N 3.31Å; K157-F159 PolarHBondContact O-N 3.05Å; K157-Y160 PolarHBondContact O-N 2.92Å; K157-L161 HydrophobicContact CD-CD1 4.48Å; K157-L161 HydrophobicContact CG-CD1 3.9Å; K157-L161 HydrophobicContact CG-CG 4.44Å; K157-L161 WeakPolarHBondContact O-CB 3.3Å; K157-L161 WeakPolarHBondContact O-CG 3.32Å; K157-L161 PolarHBondContact O-N 2.89Å; K157-E193 VanDerWaalsContact CE-OE1 3.23Å; K157-E193 WeakPolarHBondContact CE-OE1 3.35Å; K157-E193 IonicContact NZ-OE1 2.78Å; K157-E193 PolarHBondContact NZ-OE1 2.77Å; K157-V197 HydrophobicContact CD-CG2 4.45Å |
| 158 | V | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | P154 Y160 K162 A194 V197 A198 M202 I208 L212 | P154-V158 WeakPolarHBondContact O-CB 3.47Å; P154-V158 VanDerWaalsContact O-CG2 3.25Å; P154-V158 WeakPolarHBondContact O-CG2 3.23Å; P154-V158 PolarHBondContact O-N 3.19Å; V158-Y160 PolarHBondContact O-N 3.3Å; V158-K162 WeakPolarHBondContact O-CB 3.35Å; V158-K162 PolarHBondContact O-N 2.95Å; V158-A194 HydrophobicContact CG1-CB 4.42Å; V158-V197 HydrophobicContact CG2-CB 3.82Å; V158-V197 HydrophobicContact CG2-CG1 3.59Å; V158-A198 HydrophobicContact CG1-CB 4.01Å; V158-A198 HydrophobicContact CG2-CB 3.99Å; V158-M202 HydrophobicContact CB-SD 3.99Å; V158-M202 HydrophobicContact CG1-SD 4.19Å; V158-M202 HydrophobicContact CG2-SD 3.75Å; V158-I208 HydrophobicContact CB-CG2 4.23Å; V158-I208 HydrophobicContact CG1-CG2 3.7Å; V158-L212 HydrophobicContact CG1-CD2 4Å |
| 159 | F | 95.7 | Very high | 95.8 | Very high | 30 Ų | 30 | 33.3 Ų | 33.3 | 13% | 0.132 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.3 | -49.5 | 176.7 | -173.4 | -78.2 | 0 | 0 | 0 | 112 | R42 E155 S156 K157 M163 I208 | R42-F159 HydrophobicContact CG-CD1 3.66Å; R42-F159 HydrophobicContact CG-CE1 3.39Å; R42-F159 HydrophobicContact CG-CE2 4.45Å; R42-F159 HydrophobicContact CG-CG 4.31Å; R42-F159 HydrophobicContact CG-CZ 3.8Å; E155-F159 WeakPolarHBondContact O-CB 3.33Å; E155-F159 PolarHBondContact O-N 3.44Å; S156-F159 PolarHBondContact O-N 3.38Å; K157-F159 VanDerWaalsContact C-N 3.31Å; K157-F159 PolarHBondContact O-N 3.05Å; F159-M163 HydrophobicContact CE1-SD 4.42Å; F159-M163 WeakPolarHBondContact O-CB 3.23Å; F159-M163 PolarHBondContact O-N 3.47Å; F159-I208 HydrophobicContact CD2-CD1 4.25Å |
| 160 | Y | 96.6 | Very high | 96 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71 | -38 | -178.4 | -62.1 | -46.4 | 0 | 0 | 0 | 112.9 | R42 L143 L147 A151 S156 K157 V158 M163 K164 | R42-Y160 HydrophobicContact CG-CE1 3.66Å; R42-Y160 PolarHBondContact NE-OH 3.27Å; L143-Y160 HydrophobicContact CD2-CD1 4.04Å; L143-Y160 HydrophobicContact CD2-CG 4.34Å; L147-Y160 HydrophobicContact CB-CD1 3.87Å; L147-Y160 HydrophobicContact CB-CD2 4.01Å; L147-Y160 HydrophobicContact CB-CE1 3.85Å; L147-Y160 HydrophobicContact CB-CE2 3.98Å; L147-Y160 HydrophobicContact CB-CG 3.97Å; L147-Y160 HydrophobicContact CD1-CD1 4.11Å; L147-Y160 HydrophobicContact CD1-CE1 3.97Å; L147-Y160 HydrophobicContact CD2-CE1 3.93Å; L147-Y160 HydrophobicContact CG-CD1 4.45Å; L147-Y160 HydrophobicContact CG-CE1 4.13Å; A151-Y160 HydrophobicContact CB-CD2 3.92Å; A151-Y160 HydrophobicContact CB-CE2 4.12Å; S156-Y160 WeakPolarHBondContact O-CD2 3.43Å; S156-Y160 PolarHBondContact O-N 3.42Å; K157-Y160 PolarHBondContact O-N 2.92Å; V158-Y160 PolarHBondContact O-N 3.3Å; Y160-M163 WeakPolarHBondContact O-CB 3.5Å; Y160-M163 PolarHBondContact O-N 3.33Å; Y160-K164 PolarHBondContact O-N 2.86Å |
| 161 | L | 97.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 175.1 | -71.1 | 172 | 0 | 0 | 0 | 112 | I148 K157 M163 K164 G165 E193 A194 | I148-L161 HydrophobicContact CD1-CD2 4.13Å; K157-L161 HydrophobicContact CD-CD1 4.48Å; K157-L161 HydrophobicContact CG-CD1 3.9Å; K157-L161 HydrophobicContact CG-CG 4.44Å; K157-L161 WeakPolarHBondContact O-CB 3.3Å; K157-L161 WeakPolarHBondContact O-CG 3.32Å; K157-L161 PolarHBondContact O-N 2.89Å; L161-M163 VanDerWaalsContact C-N 3.29Å; L161-M163 PolarHBondContact O-N 3.23Å; L161-K164 WeakPolarHBondContact O-CB 3.45Å; L161-K164 PolarHBondContact O-N 3.38Å; L161-K164 VanDerWaalsContact O-N 3.17Å; L161-G165 PolarHBondContact O-N 3.24Å; L161-E193 HydrophobicContact CD1-CB 4.11Å; L161-E193 HydrophobicContact CD1-CG 3.73Å; L161-E193 WeakPolarHBondContact CD2-OE2 3.32Å; L161-A194 HydrophobicContact CB-CB 3.65Å; L161-A194 HydrophobicContact CD1-CB 4.49Å |
| 162 | K | 97.4 | Very high | 96.2 | Very high | 39 Ų | 39 | 25.6 Ų | 25.6 | 17% | 0.17 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 170.8 | 178.9 | -170.2 | 174.2 | -67.6 | 0 | 110.5 | V158 K164 G165 D166 Y191 G211 L212 N215 | V158-K162 WeakPolarHBondContact O-CB 3.35Å; V158-K162 PolarHBondContact O-N 2.95Å; K162-K164 VanDerWaalsContact C-N 3.31Å; K162-K164 PolarHBondContact O-N 3.43Å; K162-G165 PolarHBondContact O-N 2.84Å; K162-D166 IonicContact NZ-OD2 2.75Å; K162-D166 PolarHBondContact NZ-OD2 3.41Å; K162-D166 PolarHBondContact O-N 2.78Å; K162-Y191 HydrophobicContact CG-CE1 4.46Å; K162-G211 WeakPolarHBondContact CE-O 3.37Å; K162-L212 HydrophobicContact CB-CD1 4.03Å; K162-L212 HydrophobicContact CD-CB 4.12Å; K162-L212 HydrophobicContact CG-CB 4.37Å; K162-L212 HydrophobicContact CG-CD1 4Å; K162-N215 PolarHBondContact NZ-ND2 3.34Å |
| 163 | M | 96.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 22.1 Ų | 22.1 | 4% | 0.044 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 176.7 | -166.2 | 173.1 | 176.8 | 0 | 0 | 110.5 | V98 L143 F159 Y160 L161 G165 D166 Y167 | V98-M163 HydrophobicContact CG1-CE 3.97Å; L143-M163 HydrophobicContact CD1-CB 4.32Å; L143-M163 HydrophobicContact CD1-CG 4.27Å; L143-M163 HydrophobicContact CD2-CB 4.22Å; L143-M163 HydrophobicContact CD2-CG 4.33Å; L143-M163 HydrophobicContact CD2-SD 4.1Å; F159-M163 HydrophobicContact CE1-SD 4.42Å; F159-M163 WeakPolarHBondContact O-CB 3.23Å; F159-M163 PolarHBondContact O-N 3.47Å; Y160-M163 WeakPolarHBondContact O-CB 3.5Å; Y160-M163 PolarHBondContact O-N 3.33Å; L161-M163 VanDerWaalsContact C-N 3.29Å; L161-M163 PolarHBondContact O-N 3.23Å; M163-G165 PolarHBondContact O-N 2.89Å; M163-D166 WeakPolarHBondContact O-CB 3.48Å; M163-D166 PolarHBondContact O-N 2.61Å; M163-D166 VanDerWaalsContact O-N 3.12Å; M163-Y167 HydrophobicContact CE-CE2 3.59Å; M163-Y167 HydrophobicContact CG-CD2 3.86Å; M163-Y167 HydrophobicContact CG-CE2 3.57Å; M163-Y167 WeakPolarHBondContact O-CD2 3.43Å; M163-Y167 PolarHBondContact O-N 3.27Å; M163-Y167 HydrophobicContact SD-CE2 4.44Å |
| 164 | K | 96.5 | Very high | 96.2 | Very high | 44 Ų | 44 | 19.9 Ų | 19.9 | 19% | 0.191 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 174.9 | -168.6 | 171.1 | -178.2 | 168.2 | 0 | 111.8 | L99 L143 D144 I148 Y160 L161 K162 D166 Y167 Y168 A190 | L99-K164 HydrophobicContact CD2-CB 4.37Å; L99-K164 HydrophobicContact CD2-CG 3.74Å; L143-K164 HydrophobicContact CD1-CB 3.8Å; L143-K164 HydrophobicContact CD1-CG 4.38Å; D144-K164 VanDerWaalsContact CG-NZ 3.31Å; D144-K164 IonicContact OD1-NZ 3.75Å; D144-K164 PolarHBondContact OD1-NZ 3.36Å; D144-K164 IonicContact OD2-NZ 3.96Å; D144-K164 PolarHBondContact OD2-NZ 3.46Å; D144-K164 VanDerWaalsContact OD2-NZ 3.14Å; I148-K164 HydrophobicContact CD1-CD 3.97Å; Y160-K164 PolarHBondContact O-N 2.86Å; L161-K164 WeakPolarHBondContact O-CB 3.45Å; L161-K164 PolarHBondContact O-N 3.38Å; L161-K164 VanDerWaalsContact O-N 3.17Å; K162-K164 VanDerWaalsContact C-N 3.31Å; K162-K164 PolarHBondContact O-N 3.43Å; K164-D166 VanDerWaalsContact C-N 3.34Å; K164-D166 PolarHBondContact O-N 3.48Å; K164-Y167 PolarHBondContact O-N 2.73Å; K164-Y168 HydrophobicContact CD-CE2 4.42Å; K164-Y168 HydrophobicContact CG-CD2 3.94Å; K164-Y168 HydrophobicContact CG-CE2 3.83Å; K164-Y168 WeakPolarHBondContact O-CD2 3.45Å; K164-Y168 PolarHBondContact O-N 3.19Å; K164-Y168 VanDerWaalsContact O-N 3.09Å; K164-A190 HydrophobicContact CB-CB 4Å; K164-A190 HydrophobicContact CD-CB 4.25Å; K164-A190 HydrophobicContact CG-CB 3.95Å |
| 165 | G | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L161 K162 M163 Y167 Y168 R169 S187 | L161-G165 PolarHBondContact O-N 3.24Å; K162-G165 PolarHBondContact O-N 2.84Å; M163-G165 PolarHBondContact O-N 2.89Å; G165-Y167 PolarHBondContact O-N 2.96Å; G165-Y168 PolarHBondContact O-N 3.32Å; G165-R169 WeakPolarHBondContact O-CB 3.37Å; G165-R169 PolarHBondContact O-N 3.09Å; G165-S187 PolarHBondContact O-OG 2.74Å; G165-S187 VanDerWaalsContact O-OG 3.11Å |
| 166 | D | 97.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.053 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 177.9 | -75.3 | -33.9 | 0 | 0 | 0 | 112.7 | K162 M163 K164 R169 Y170 Y191 N215 | K162-D166 IonicContact NZ-OD2 2.75Å; K162-D166 PolarHBondContact NZ-OD2 3.41Å; K162-D166 PolarHBondContact O-N 2.78Å; M163-D166 WeakPolarHBondContact O-CB 3.48Å; M163-D166 PolarHBondContact O-N 2.61Å; M163-D166 VanDerWaalsContact O-N 3.12Å; K164-D166 VanDerWaalsContact C-N 3.34Å; K164-D166 PolarHBondContact O-N 3.48Å; D166-R169 WeakPolarHBondContact O-CB 3.15Å; D166-R169 PolarHBondContact O-N 2.83Å; D166-R169 IonicContact OD1-CZ 3.51Å; D166-R169 IonicContact OD1-NE 3.59Å; D166-R169 IonicContact OD1-NH2 2.95Å; D166-R169 PolarHBondContact OD1-NH2 2.97Å; D166-Y170 HydrophobicContact CB-CE2 4.05Å; D166-Y170 VanDerWaalsContact O-CD1 3.32Å; D166-Y170 WeakPolarHBondContact O-CD1 3.37Å; D166-Y170 WeakPolarHBondContact O-CD2 3.45Å; D166-Y170 WeakPolarHBondContact O-CE2 3.24Å; D166-Y170 PolarHBondContact O-N 2.97Å; D166-Y191 VanDerWaalsContact CA-OH 3.3Å; D166-Y191 WeakPolarHBondContact CA-OH 3.36Å; D166-Y191 PolarHBondContact N-OH 2.99Å; D166-Y191 PolarHBondContact OD1-OH 3.14Å; D166-N215 VanDerWaalsContact CG-ND2 3.29Å; D166-N215 WeakPolarHBondContact OD1-CB 3.4Å; D166-N215 PolarHBondContact OD1-ND2 3.15Å; D166-N215 PolarHBondContact OD2-ND2 3.02Å |
| 167 | Y | 96.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 2% | 0.02 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -71.4 | -36.1 | 179.8 | -76.3 | -85.2 | 0 | 0 | 0 | 113 | Y49 V53 C95 V98 M163 K164 G165 R169 Y170 L171 | Y49-Y167 VanDerWaalsContact C-OH 3.27Å; Y49-Y167 WeakPolarHBondContact CB-OH 3.48Å; V53-Y167 HydrophobicContact CB-CE1 4.28Å; V53-Y167 HydrophobicContact CG1-CE1 4.15Å; V53-Y167 HydrophobicContact CG2-CE1 4.43Å; C95-Y167 HydrophobicContact CB-CD1 4.18Å; V98-Y167 HydrophobicContact CB-CD1 4.09Å; V98-Y167 HydrophobicContact CB-CD2 4.11Å; V98-Y167 HydrophobicContact CB-CE1 4.26Å; V98-Y167 HydrophobicContact CB-CE2 4.32Å; V98-Y167 HydrophobicContact CB-CG 4.05Å; V98-Y167 HydrophobicContact CG1-CD1 4.38Å; V98-Y167 HydrophobicContact CG1-CD2 3.49Å; V98-Y167 VanDerWaalsContact CG1-CD2 3.49Å; V98-Y167 HydrophobicContact CG1-CE2 3.73Å; V98-Y167 HydrophobicContact CG1-CG 3.9Å; V98-Y167 HydrophobicContact CG2-CD1 4.17Å; V98-Y167 HydrophobicContact CG2-CD2 4.48Å; V98-Y167 HydrophobicContact CG2-CE1 3.84Å; V98-Y167 HydrophobicContact CG2-CE2 4.22Å; M163-Y167 HydrophobicContact CE-CE2 3.59Å; M163-Y167 HydrophobicContact CG-CD2 3.86Å; M163-Y167 HydrophobicContact CG-CE2 3.57Å; M163-Y167 WeakPolarHBondContact O-CD2 3.43Å; M163-Y167 PolarHBondContact O-N 3.27Å; M163-Y167 HydrophobicContact SD-CE2 4.44Å; K164-Y167 PolarHBondContact O-N 2.73Å; G165-Y167 PolarHBondContact O-N 2.96Å; Y167-R169 VanDerWaalsContact C-N 3.31Å; Y167-Y170 AromaticContact CD1-CD2 3.85Å; Y167-Y170 HydrophobicContact CD1-CD2 3.85Å; Y167-Y170 HydrophobicContact CD1-CE2 4.24Å; Y167-Y170 HydrophobicContact CE1-CD2 4.15Å; Y167-Y170 HydrophobicContact CE1-CE2 4.24Å; Y167-Y170 HydrophobicContact CG-CD2 4.17Å; Y167-Y170 HydrophobicContact CG-CE2 4.38Å; Y167-Y170 PolarHBondContact O-N 2.87Å; Y167-L171 PolarHBondContact O-N 2.93Å |
| 168 | Y | 96.4 | Very high | 94.6 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.7 | -36.9 | 172.9 | -83 | -62.9 | 0 | 0 | 0 | 111.2 | L99 K164 G165 L171 A172 I183 N186 | L99-Y168 HydrophobicContact CD1-CD1 3.76Å; L99-Y168 HydrophobicContact CD1-CD2 4.01Å; L99-Y168 HydrophobicContact CD1-CE1 3.91Å; L99-Y168 HydrophobicContact CD1-CE2 4.15Å; L99-Y168 HydrophobicContact CD1-CG 3.8Å; L99-Y168 HydrophobicContact CD2-CD2 3.83Å; L99-Y168 HydrophobicContact CD2-CE2 3.71Å; L99-Y168 HydrophobicContact CD2-CG 4.45Å; L99-Y168 HydrophobicContact CG-CE2 4.46Å; K164-Y168 HydrophobicContact CD-CE2 4.42Å; K164-Y168 HydrophobicContact CG-CD2 3.94Å; K164-Y168 HydrophobicContact CG-CE2 3.83Å; K164-Y168 WeakPolarHBondContact O-CD2 3.45Å; K164-Y168 PolarHBondContact O-N 3.19Å; K164-Y168 VanDerWaalsContact O-N 3.09Å; G165-Y168 PolarHBondContact O-N 3.32Å; Y168-L171 HydrophobicContact CD1-CD1 4.22Å; Y168-L171 WeakPolarHBondContact O-CB 3.28Å; Y168-L171 PolarHBondContact O-N 3.35Å; Y168-A172 WeakPolarHBondContact O-CB 3.42Å; Y168-A172 PolarHBondContact O-N 2.76Å; Y168-I183 HydrophobicContact CD1-CG2 4.23Å; Y168-I183 VanDerWaalsContact O-CG2 3.23Å; Y168-I183 WeakPolarHBondContact O-CG2 3.36Å; Y168-N186 HydrophobicContact CD1-CB 3.77Å; Y168-N186 HydrophobicContact CD2-CB 3.84Å; Y168-N186 HydrophobicContact CE1-CB 3.72Å; Y168-N186 HydrophobicContact CE2-CB 3.79Å; Y168-N186 HydrophobicContact CG-CB 3.84Å |
| 169 | R | 97.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 170.9 | 173.2 | 169.4 | 61.2 | 74.4 | 5 | 111.8 | G165 D166 Y167 L171 A172 E173 S187 Y191 F219 I223 | G165-R169 WeakPolarHBondContact O-CB 3.37Å; G165-R169 PolarHBondContact O-N 3.09Å; D166-R169 WeakPolarHBondContact O-CB 3.15Å; D166-R169 PolarHBondContact O-N 2.83Å; D166-R169 IonicContact OD1-CZ 3.51Å; D166-R169 IonicContact OD1-NE 3.59Å; D166-R169 IonicContact OD1-NH2 2.95Å; D166-R169 PolarHBondContact OD1-NH2 2.97Å; Y167-R169 VanDerWaalsContact C-N 3.31Å; R169-L171 VanDerWaalsContact C-N 3.31Å; R169-L171 PolarHBondContact O-N 2.87Å; R169-A172 WeakPolarHBondContact O-CB 3.32Å; R169-A172 PolarHBondContact O-N 2.56Å; R169-A172 VanDerWaalsContact O-N 3.09Å; R169-E173 IonicContact NH1-OE1 2.78Å; R169-E173 PolarHBondContact NH1-OE1 3.16Å; R169-E173 WeakPolarHBondContact O-CG 3.33Å; R169-E173 PolarHBondContact O-N 3.29Å; R169-S187 PolarHBondContact N-OG 3.42Å; R169-Y191 HydrophobicContact CB-CE2 4.43Å; R169-Y191 PolarHBondContact NE-OH 3.41Å; R169-F219 HydrophobicContact CB-CD2 4.2Å; R169-F219 HydrophobicContact CG-CD2 4.21Å; R169-I223 HydrophobicContact CG-CD1 4.16Å; R169-I223 HydrophobicContact CG-CG1 3.87Å |
| 170 | Y | 96.4 | Very high | 93.7 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.2 | -38.4 | 176.9 | -54.2 | -32.9 | 0 | 0 | 0 | 112.4 | V53 D166 Y167 E173 | V53-Y170 HydrophobicContact CG1-CD2 3.95Å; V53-Y170 HydrophobicContact CG1-CE2 3.79Å; V53-Y170 HydrophobicContact CG2-CD2 3.92Å; V53-Y170 HydrophobicContact CG2-CG 4.39Å; D166-Y170 HydrophobicContact CB-CE2 4.05Å; D166-Y170 VanDerWaalsContact O-CD1 3.32Å; D166-Y170 WeakPolarHBondContact O-CD1 3.37Å; D166-Y170 WeakPolarHBondContact O-CD2 3.45Å; D166-Y170 WeakPolarHBondContact O-CE2 3.24Å; D166-Y170 PolarHBondContact O-N 2.97Å; Y167-Y170 AromaticContact CD1-CD2 3.85Å; Y167-Y170 HydrophobicContact CD1-CD2 3.85Å; Y167-Y170 HydrophobicContact CD1-CE2 4.24Å; Y167-Y170 HydrophobicContact CE1-CD2 4.15Å; Y167-Y170 HydrophobicContact CE1-CE2 4.24Å; Y167-Y170 HydrophobicContact CG-CD2 4.17Å; Y167-Y170 HydrophobicContact CG-CE2 4.38Å; Y167-Y170 PolarHBondContact O-N 2.87Å; Y170-E173 PolarHBondContact O-N 2.96Å |
| 171 | L | 94.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 171.1 | -73.8 | 175.1 | 0 | 0 | 0 | 111.4 | R92 C95 L99 Y167 Y168 R169 E173 V174 A175 I183 | R92-L171 HydrophobicContact CB-CD2 4.23Å; R92-L171 HydrophobicContact CG-CD2 3.82Å; C95-L171 HydrophobicContact CB-CD1 3.94Å; C95-L171 HydrophobicContact CB-CD2 3.6Å; C95-L171 HydrophobicContact CB-CG 3.56Å; L99-L171 HydrophobicContact CD1-CD1 3.67Å; Y167-L171 PolarHBondContact O-N 2.93Å; Y168-L171 HydrophobicContact CD1-CD1 4.22Å; Y168-L171 WeakPolarHBondContact O-CB 3.28Å; Y168-L171 PolarHBondContact O-N 3.35Å; R169-L171 VanDerWaalsContact C-N 3.31Å; R169-L171 PolarHBondContact O-N 2.87Å; L171-E173 VanDerWaalsContact C-N 3.25Å; L171-E173 PolarHBondContact O-N 3.42Å; L171-V174 WeakPolarHBondContact O-CG2 3.36Å; L171-V174 PolarHBondContact O-N 3.11Å; L171-A175 VanDerWaalsContact O-CB 3.28Å; L171-A175 WeakPolarHBondContact O-CB 3.2Å; L171-A175 PolarHBondContact O-N 3.05Å; L171-I183 HydrophobicContact CB-CD1 4.47Å; L171-I183 HydrophobicContact CB-CG2 3.6Å |
| 172 | A | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -32.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y168 R169 V174 A175 R180 I183 V184 I223 | Y168-A172 WeakPolarHBondContact O-CB 3.42Å; Y168-A172 PolarHBondContact O-N 2.76Å; R169-A172 WeakPolarHBondContact O-CB 3.32Å; R169-A172 PolarHBondContact O-N 2.56Å; R169-A172 VanDerWaalsContact O-N 3.09Å; A172-V174 PolarHBondContact O-N 3.37Å; A172-A175 PolarHBondContact O-N 2.82Å; A172-R180 PolarHBondContact O-NH1 2.93Å; A172-I183 HydrophobicContact CB-CG2 3.92Å; A172-V184 HydrophobicContact CB-CG2 3.86Å; A172-I223 HydrophobicContact CB-CD1 4.49Å; A172-I223 HydrophobicContact CB-CG2 3.91Å |
| 173 | E | 94.7 | Very high | 93 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -34 | 177 | -72.6 | 170.9 | -156.9 | 0 | 0 | 112.8 | R57 W60 R61 R169 Y170 L171 I223 | R57-E173 IonicContact CZ-OE1 3.85Å; R57-E173 IonicContact CZ-OE2 3.54Å; R57-E173 VanDerWaalsContact CZ-OE2 3.26Å; R57-E173 IonicContact NE-OE1 3.17Å; R57-E173 IonicContact NE-OE2 3.86Å; R57-E173 PolarHBondContact NE-OE2 3.23Å; R57-E173 IonicContact NH2-OE1 3.52Å; R57-E173 PolarHBondContact NH2-OE1 3.36Å; R57-E173 IonicContact NH2-OE2 3.27Å; R57-E173 PolarHBondContact NH2-OE2 3.36Å; W60-E173 WeakPolarHBondContact CH2-O 3.49Å; R61-E173 IonicContact NH2-OE2 2.68Å; R169-E173 IonicContact NH1-OE1 2.78Å; R169-E173 PolarHBondContact NH1-OE1 3.16Å; R169-E173 WeakPolarHBondContact O-CG 3.33Å; R169-E173 PolarHBondContact O-N 3.29Å; Y170-E173 PolarHBondContact O-N 2.96Å; L171-E173 VanDerWaalsContact C-N 3.25Å; L171-E173 PolarHBondContact O-N 3.42Å; E173-I223 HydrophobicContact CG-CD1 3.76Å |
| 174 | V | 93.7 | Very high | 92.9 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -105.8 | -9.4 | -177.6 | -55.6 | 0 | 0 | 0 | 0 | 113.7 | W60 E88 L91 R92 L171 A172 | W60-V174 HydrophobicContact CD2-CG1 3.8Å; W60-V174 HydrophobicContact CE3-CG1 4.22Å; W60-V174 HydrophobicContact CG-CG1 4.2Å; W60-V174 HydrophobicContact CH2-CG1 4.3Å; W60-V174 HydrophobicContact CZ2-CB 4.32Å; W60-V174 HydrophobicContact CZ2-CG1 3.91Å; W60-V174 HydrophobicContact CZ3-CG1 4.45Å; E88-V174 HydrophobicContact CG-CB 4.2Å; E88-V174 HydrophobicContact CG-CG1 4.35Å; L91-V174 HydrophobicContact CD1-CG1 3.99Å; L91-V174 HydrophobicContact CD2-CG1 4.43Å; L91-V174 HydrophobicContact CD2-CG2 4.01Å; R92-V174 HydrophobicContact CG-CG2 4.48Å; L171-V174 WeakPolarHBondContact O-CG2 3.36Å; L171-V174 PolarHBondContact O-N 3.11Å; A172-V174 PolarHBondContact O-N 3.37Å |
| 175 | A | 92.2 | Very high | 92.9 | Very high | 14 Ų | 14 | 47 Ų | 47 | 12% | 0.116 | 26% | 0.262 | C | S | . | . | trans | -73.3 | 134 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L171 A172 R180 I183 | L171-A175 VanDerWaalsContact O-CB 3.28Å; L171-A175 WeakPolarHBondContact O-CB 3.2Å; L171-A175 PolarHBondContact O-N 3.05Å; A172-A175 PolarHBondContact O-N 2.82Å; A175-R180 HydrophobicContact CB-CB 4.08Å; A175-R180 HydrophobicContact CB-CG 4.2Å; A175-R180 PolarHBondContact O-NH1 3.44Å; A175-R180 VanDerWaalsContact O-NH1 3.11Å; A175-I183 HydrophobicContact CB-CD1 3.76Å | ||
| 176 | T | 86.5 | Confident | 92.8 | Very high | 121 Ų | 121 | 50.4 Ų | 50.4 | 74% | 0.742 | 28% | 0.28 | S | S | * | . | trans | -127 | 159.5 | 173.6 | 60.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 177 | G | 87.7 | Confident | 92.7 | Very high | 58 Ų | 58 | 50 Ų | 50 | 60% | 0.598 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 71.9 | -155 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D179 R180 | G177-D179 VanDerWaalsContact C-N 3.34Å; G177-D179 PolarHBondContact O-N 2.92Å; G177-R180 WeakPolarHBondContact O-CB 3.28Å; G177-R180 PolarHBondContact O-N 3.27Å |
| 178 | D | 81.6 | Confident | 92.8 | Very high | 154 Ų | 154 | 52.7 Ų | 52.7 | 82% | 0.824 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -30.5 | -165.5 | -61.9 | -26.8 | 0 | 0 | 0 | 113.6 | R180 | D178-R180 VanDerWaalsContact C-N 3.27Å; D178-R180 PolarHBondContact O-N 3.15Å |
| 179 | D | 82.7 | Confident | 92.8 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -70.5 | -23.5 | -177.6 | -67.7 | -20.7 | 0 | 0 | 0 | 112.8 | G177 N181 S182 I183 | G177-D179 VanDerWaalsContact C-N 3.34Å; G177-D179 PolarHBondContact O-N 2.92Å; D179-N181 VanDerWaalsContact C-N 3.29Å; D179-N181 PolarHBondContact O-N 3.16Å; D179-S182 PolarHBondContact O-N 3.43Å; D179-S182 PolarHBondContact O-OG 3.43Å; D179-I183 HydrophobicContact CB-CD1 4.39Å; D179-I183 WeakPolarHBondContact O-CG1 3.47Å; D179-I183 PolarHBondContact O-N 3.34Å |
| 180 | R | 91.5 | Very high | 92.8 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.2 | -42.8 | -174.4 | -177.1 | -174.7 | 174 | 81.9 | 9 | 112 | A172 A175 G177 D178 S182 I183 V184 | A172-R180 PolarHBondContact O-NH1 2.93Å; A175-R180 HydrophobicContact CB-CB 4.08Å; A175-R180 HydrophobicContact CB-CG 4.2Å; A175-R180 PolarHBondContact O-NH1 3.44Å; A175-R180 VanDerWaalsContact O-NH1 3.11Å; G177-R180 WeakPolarHBondContact O-CB 3.28Å; G177-R180 PolarHBondContact O-N 3.27Å; D178-R180 VanDerWaalsContact C-N 3.27Å; D178-R180 PolarHBondContact O-N 3.15Å; R180-S182 PolarHBondContact O-N 3.29Å; R180-I183 PolarHBondContact O-N 3.34Å; R180-V184 HydrophobicContact CG-CG2 4.19Å; R180-V184 VanDerWaalsContact O-CG2 3.26Å; R180-V184 WeakPolarHBondContact O-CG2 3.47Å; R180-V184 PolarHBondContact O-N 3.35Å |
| 181 | N | 92.4 | Very high | 92.9 | Very high | 112 Ų | 112 | 54 Ų | 54 | 60% | 0.599 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.3 | -45.8 | -177.1 | -69.1 | -19 | 0 | 0 | 0 | 111.2 | D179 I183 V184 E185 | D179-N181 VanDerWaalsContact C-N 3.29Å; D179-N181 PolarHBondContact O-N 3.16Å; N181-I183 VanDerWaalsContact C-N 3.33Å; N181-I183 PolarHBondContact O-N 3.2Å; N181-V184 PolarHBondContact O-N 2.77Å; N181-E185 WeakPolarHBondContact O-CG 3.4Å; N181-E185 PolarHBondContact O-N 3.27Å |
| 182 | S | 91.9 | Very high | 93.1 | Very high | 54 Ų | 54 | 57 Ų | 57 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 178.4 | 74 | 0 | 0 | 0 | 0 | 112.5 | D179 R180 E185 N186 | D179-S182 PolarHBondContact O-N 3.43Å; D179-S182 PolarHBondContact O-OG 3.43Å; R180-S182 PolarHBondContact O-N 3.29Å; S182-E185 PolarHBondContact O-N 2.96Å; S182-N186 WeakPolarHBondContact O-CB 3.23Å; S182-N186 VanDerWaalsContact O-CG 3.25Å; S182-N186 PolarHBondContact O-N 3.49Å; S182-N186 PolarHBondContact O-ND2 3.04Å; S182-N186 VanDerWaalsContact O-ND2 3.1Å |
| 183 | I | 93.1 | Very high | 93.3 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | 178.2 | -65.6 | 168.3 | 0 | 0 | 0 | 110.4 | Y168 L171 A172 A175 D179 R180 N181 N186 S187 | Y168-I183 HydrophobicContact CD1-CG2 4.23Å; Y168-I183 VanDerWaalsContact O-CG2 3.23Å; Y168-I183 WeakPolarHBondContact O-CG2 3.36Å; L171-I183 HydrophobicContact CB-CD1 4.47Å; L171-I183 HydrophobicContact CB-CG2 3.6Å; A172-I183 HydrophobicContact CB-CG2 3.92Å; A175-I183 HydrophobicContact CB-CD1 3.76Å; D179-I183 HydrophobicContact CB-CD1 4.39Å; D179-I183 WeakPolarHBondContact O-CG1 3.47Å; D179-I183 PolarHBondContact O-N 3.34Å; R180-I183 PolarHBondContact O-N 3.34Å; N181-I183 VanDerWaalsContact C-N 3.33Å; N181-I183 PolarHBondContact O-N 3.2Å; I183-N186 PolarHBondContact O-N 3.24Å; I183-S187 PolarHBondContact O-N 3.39Å |
| 184 | V | 95.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 111 | A172 R180 N181 N186 S187 Q188 F219 I223 L224 | A172-V184 HydrophobicContact CB-CG2 3.86Å; R180-V184 HydrophobicContact CG-CG2 4.19Å; R180-V184 VanDerWaalsContact O-CG2 3.26Å; R180-V184 WeakPolarHBondContact O-CG2 3.47Å; R180-V184 PolarHBondContact O-N 3.35Å; N181-V184 PolarHBondContact O-N 2.77Å; V184-N186 PolarHBondContact O-N 2.89Å; V184-S187 WeakPolarHBondContact O-CB 3.45Å; V184-S187 PolarHBondContact O-N 3.16Å; V184-Q188 WeakPolarHBondContact O-CB 3.3Å; V184-Q188 PolarHBondContact O-N 2.91Å; V184-F219 HydrophobicContact CG1-CE2 4.42Å; V184-F219 HydrophobicContact CG1-CZ 3.94Å; V184-I223 HydrophobicContact CG1-CG2 4.28Å; V184-I223 HydrophobicContact CG2-CG2 3.72Å; V184-L224 HydrophobicContact CG1-CD2 3.46Å; V184-L224 VanDerWaalsContact CG1-CD2 3.46Å; V184-L224 HydrophobicContact CG1-CG 4.36Å |
| 185 | E | 95.5 | Very high | 93.7 | Very high | 127 Ų | 127 | 59.6 Ų | 59.6 | 59% | 0.593 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.6 | -44.5 | 175.9 | -75.1 | 174.1 | -173.1 | 0 | 0 | 111.7 | N181 S182 S187 Q188 S189 | N181-E185 WeakPolarHBondContact O-CG 3.4Å; N181-E185 PolarHBondContact O-N 3.27Å; S182-E185 PolarHBondContact O-N 2.96Å; E185-S187 PolarHBondContact O-N 3.33Å; E185-Q188 PolarHBondContact O-N 3.41Å; E185-S189 VanDerWaalsContact O-CB 3.3Å; E185-S189 WeakPolarHBondContact O-CB 3.48Å; E185-S189 PolarHBondContact O-N 2.92Å |
| 186 | N | 94.2 | Very high | 94 | Very high | 71 Ų | 71 | 63 Ų | 63 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176.4 | -75.5 | -34.4 | 0 | 0 | 0 | 112.2 | Y168 S182 I183 V184 A190 | Y168-N186 HydrophobicContact CD1-CB 3.77Å; Y168-N186 HydrophobicContact CD2-CB 3.84Å; Y168-N186 HydrophobicContact CE1-CB 3.72Å; Y168-N186 HydrophobicContact CE2-CB 3.79Å; Y168-N186 HydrophobicContact CG-CB 3.84Å; S182-N186 WeakPolarHBondContact O-CB 3.23Å; S182-N186 VanDerWaalsContact O-CG 3.25Å; S182-N186 PolarHBondContact O-N 3.49Å; S182-N186 PolarHBondContact O-ND2 3.04Å; S182-N186 VanDerWaalsContact O-ND2 3.1Å; I183-N186 PolarHBondContact O-N 3.24Å; V184-N186 PolarHBondContact O-N 2.89Å; N186-A190 WeakPolarHBondContact O-CB 3.11Å; N186-A190 PolarHBondContact O-N 2.71Å |
| 187 | S | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.7 | -50.2 | 173.8 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | G165 R169 I183 V184 E185 A190 Y191 F219 | G165-S187 PolarHBondContact O-OG 2.74Å; G165-S187 VanDerWaalsContact O-OG 3.11Å; R169-S187 PolarHBondContact N-OG 3.42Å; I183-S187 PolarHBondContact O-N 3.39Å; V184-S187 WeakPolarHBondContact O-CB 3.45Å; V184-S187 PolarHBondContact O-N 3.16Å; E185-S187 PolarHBondContact O-N 3.33Å; S187-A190 PolarHBondContact O-N 2.85Å; S187-Y191 WeakPolarHBondContact O-CD2 3.44Å; S187-Y191 PolarHBondContact O-N 3.16Å; S187-Y191 VanDerWaalsContact O-N 3.07Å; S187-Y191 WeakPolarHBondContact OG-CE2 3.33Å; S187-F219 VanDerWaalsContact CB-CE2 3.49Å; S187-F219 WeakPolarHBondContact OG-CD2 3.39Å; S187-F219 WeakPolarHBondContact OG-CE2 3.42Å |
| 188 | Q | 98.2 | Very high | 95 | Very high | 63 Ų | 63 | 55.9 Ų | 55.9 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | -178.5 | -172.6 | 176.3 | -10.4 | 0 | 0 | 111.6 | V184 E185 Y191 Q192 F216 F219 | V184-Q188 WeakPolarHBondContact O-CB 3.3Å; V184-Q188 PolarHBondContact O-N 2.91Å; E185-Q188 PolarHBondContact O-N 3.41Å; Q188-Y191 PolarHBondContact O-N 2.99Å; Q188-Q192 WeakPolarHBondContact O-CB 3.26Å; Q188-Q192 PolarHBondContact O-N 3.09Å; Q188-F216 HydrophobicContact CG-CE2 4.34Å; Q188-F216 HydrophobicContact CG-CZ 4.37Å; Q188-F219 HydrophobicContact CB-CE1 3.75Å; Q188-F219 HydrophobicContact CB-CZ 3.85Å; Q188-F219 HydrophobicContact CG-CE1 4.08Å |
| 189 | S | 97.4 | Very high | 95.8 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 52% | 0.524 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 178.4 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | E185 Y191 Q192 E193 | E185-S189 VanDerWaalsContact O-CB 3.3Å; E185-S189 WeakPolarHBondContact O-CB 3.48Å; E185-S189 PolarHBondContact O-N 2.92Å; S189-Y191 PolarHBondContact O-N 3.5Å; S189-Q192 PolarHBondContact O-N 3.07Å; S189-E193 PolarHBondContact O-N 3.33Å |
| 190 | A | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.033 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K164 N186 S187 A194 | K164-A190 HydrophobicContact CB-CB 4Å; K164-A190 HydrophobicContact CD-CB 4.25Å; K164-A190 HydrophobicContact CG-CB 3.95Å; N186-A190 WeakPolarHBondContact O-CB 3.11Å; N186-A190 PolarHBondContact O-N 2.71Å; S187-A190 PolarHBondContact O-N 2.85Å; A190-A194 WeakPolarHBondContact O-CB 3.48Å; A190-A194 PolarHBondContact O-N 3.49Å |
| 191 | Y | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 175.2 | -75.9 | -51.6 | 0 | 0 | 0 | 112.8 | K162 D166 R169 S187 Q188 S189 A194 L195 L212 N215 F216 F219 | K162-Y191 HydrophobicContact CG-CE1 4.46Å; D166-Y191 VanDerWaalsContact CA-OH 3.3Å; D166-Y191 WeakPolarHBondContact CA-OH 3.36Å; D166-Y191 PolarHBondContact N-OH 2.99Å; D166-Y191 PolarHBondContact OD1-OH 3.14Å; R169-Y191 HydrophobicContact CB-CE2 4.43Å; R169-Y191 PolarHBondContact NE-OH 3.41Å; S187-Y191 WeakPolarHBondContact O-CD2 3.44Å; S187-Y191 PolarHBondContact O-N 3.16Å; S187-Y191 VanDerWaalsContact O-N 3.07Å; S187-Y191 WeakPolarHBondContact OG-CE2 3.33Å; Q188-Y191 PolarHBondContact O-N 2.99Å; S189-Y191 PolarHBondContact O-N 3.5Å; Y191-A194 WeakPolarHBondContact O-CB 3.47Å; Y191-A194 PolarHBondContact O-N 2.96Å; Y191-L195 WeakPolarHBondContact O-CB 3.36Å; Y191-L195 PolarHBondContact O-N 3.46Å; Y191-L212 HydrophobicContact CD1-CD1 3.64Å; Y191-L212 HydrophobicContact CE1-CD1 4.34Å; Y191-N215 HydrophobicContact CE1-CB 4.17Å; Y191-F216 HydrophobicContact CD1-CB 4.25Å; Y191-F216 AromaticContact CD2-CD2 3.7Å; Y191-F216 HydrophobicContact CD2-CD2 3.7Å; Y191-F216 HydrophobicContact CD2-CE2 4.14Å; Y191-F216 HydrophobicContact CD2-CG 4.3Å; Y191-F216 HydrophobicContact CG-CB 4.14Å; Y191-F216 AromaticContact CG-CD2 3.76Å; Y191-F216 HydrophobicContact CG-CD2 3.76Å; Y191-F216 HydrophobicContact CG-CE2 4.24Å; Y191-F216 AromaticContact CG-CG 3.93Å; Y191-F216 HydrophobicContact CG-CG 3.93Å; Y191-F219 HydrophobicContact CD2-CB 4.25Å; Y191-F219 HydrophobicContact CD2-CD1 4.37Å; Y191-F219 HydrophobicContact CD2-CD2 4.48Å; Y191-F219 HydrophobicContact CD2-CG 4.12Å; Y191-F219 HydrophobicContact CE2-CB 3.83Å; Y191-F219 HydrophobicContact CE2-CD2 4.12Å; Y191-F219 AromaticContact CE2-CG 3.96Å; Y191-F219 HydrophobicContact CE2-CG 3.96Å |
| 192 | Q | 98.6 | Very high | 96.9 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 179.3 | -171.5 | 60.9 | 56.1 | 0 | 0 | 111.2 | Q188 S189 A194 L195 D196 F216 | Q188-Q192 WeakPolarHBondContact O-CB 3.26Å; Q188-Q192 PolarHBondContact O-N 3.09Å; S189-Q192 PolarHBondContact O-N 3.07Å; Q192-A194 VanDerWaalsContact C-N 3.31Å; Q192-A194 PolarHBondContact O-N 2.86Å; Q192-L195 PolarHBondContact O-N 3.39Å; Q192-L195 VanDerWaalsContact O-N 3.09Å; Q192-D196 PolarHBondContact NE2-OD1 3.5Å; Q192-D196 VanDerWaalsContact O-CG 3.23Å; Q192-D196 PolarHBondContact O-N 2.81Å; Q192-F216 HydrophobicContact CB-CZ 4.49Å |
| 193 | E | 98 | Very high | 97 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 175 | -168.5 | -169.6 | 162.3 | 0 | 0 | 110.9 | K157 L161 S189 L195 D196 V197 | K157-E193 VanDerWaalsContact CE-OE1 3.23Å; K157-E193 WeakPolarHBondContact CE-OE1 3.35Å; K157-E193 IonicContact NZ-OE1 2.78Å; K157-E193 PolarHBondContact NZ-OE1 2.77Å; L161-E193 HydrophobicContact CD1-CB 4.11Å; L161-E193 HydrophobicContact CD1-CG 3.73Å; L161-E193 WeakPolarHBondContact CD2-OE2 3.32Å; S189-E193 PolarHBondContact O-N 3.33Å; E193-L195 VanDerWaalsContact C-N 3.27Å; E193-L195 PolarHBondContact O-N 3.34Å; E193-D196 PolarHBondContact O-N 3.32Å; E193-V197 WeakPolarHBondContact O-CG2 3.35Å; E193-V197 PolarHBondContact O-N 2.94Å; E193-V197 VanDerWaalsContact O-N 3.13Å |
| 194 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V158 L161 A190 Y191 Q192 A198 L212 | V158-A194 HydrophobicContact CG1-CB 4.42Å; L161-A194 HydrophobicContact CB-CB 3.65Å; L161-A194 HydrophobicContact CD1-CB 4.49Å; A190-A194 WeakPolarHBondContact O-CB 3.48Å; A190-A194 PolarHBondContact O-N 3.49Å; Y191-A194 WeakPolarHBondContact O-CB 3.47Å; Y191-A194 PolarHBondContact O-N 2.96Å; Q192-A194 VanDerWaalsContact C-N 3.31Å; Q192-A194 PolarHBondContact O-N 2.86Å; A194-A198 VanDerWaalsContact O-CB 3.23Å; A194-A198 WeakPolarHBondContact O-CB 3.16Å; A194-A198 PolarHBondContact O-N 3.43Å; A194-L212 VanDerWaalsContact C-CD2 3.42Å; A194-L212 HydrophobicContact CB-CD1 3.76Å; A194-L212 HydrophobicContact CB-CD2 3.61Å; A194-L212 HydrophobicContact CB-CG 4.35Å; A194-L212 WeakPolarHBondContact O-CD2 3.45Å |
| 195 | L | 98.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.3 | -39.5 | -176.8 | -173.4 | 63.9 | 0 | 0 | 0 | 111.4 | Y191 Q192 E193 A198 K199 L212 F216 L233 | Y191-L195 WeakPolarHBondContact O-CB 3.36Å; Y191-L195 PolarHBondContact O-N 3.46Å; Q192-L195 PolarHBondContact O-N 3.39Å; Q192-L195 VanDerWaalsContact O-N 3.09Å; E193-L195 VanDerWaalsContact C-N 3.27Å; E193-L195 PolarHBondContact O-N 3.34Å; L195-A198 PolarHBondContact O-N 3.35Å; L195-K199 HydrophobicContact CD1-CD 4.46Å; L195-K199 HydrophobicContact CD1-CG 4.32Å; L195-K199 HydrophobicContact CG-CD 4.21Å; L195-K199 HydrophobicContact CG-CG 4.44Å; L195-K199 WeakPolarHBondContact O-CB 3.46Å; L195-K199 WeakPolarHBondContact O-CG 3.42Å; L195-K199 PolarHBondContact O-N 3.49Å; L195-L212 HydrophobicContact CB-CD2 4.15Å; L195-L212 HydrophobicContact CD1-CD2 4.26Å; L195-F216 HydrophobicContact CD2-CD1 4.09Å; L195-F216 HydrophobicContact CD2-CE1 4.06Å; L195-L233 HydrophobicContact CD2-CD1 4.13Å |
| 196 | D | 98.3 | Very high | 97.2 | Very high | 87 Ų | 87 | 48.8 Ų | 48.8 | 47% | 0.465 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 178.3 | -64.4 | -18.8 | 0 | 0 | 0 | 111.2 | Q192 E193 S200 | Q192-D196 PolarHBondContact NE2-OD1 3.5Å; Q192-D196 VanDerWaalsContact O-CG 3.23Å; Q192-D196 PolarHBondContact O-N 2.81Å; E193-D196 PolarHBondContact O-N 3.32Å; D196-S200 WeakPolarHBondContact O-CB 3.36Å; D196-S200 PolarHBondContact O-N 3.12Å; D196-S200 PolarHBondContact O-OG 2.61Å |
| 197 | V | 98.1 | Very high | 97.2 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 17% | 0.17 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -45 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | K157 V158 E193 S200 K201 | K157-V197 HydrophobicContact CD-CG2 4.45Å; V158-V197 HydrophobicContact CG2-CB 3.82Å; V158-V197 HydrophobicContact CG2-CG1 3.59Å; E193-V197 WeakPolarHBondContact O-CG2 3.35Å; E193-V197 PolarHBondContact O-N 2.94Å; E193-V197 VanDerWaalsContact O-N 3.13Å; V197-S200 PolarHBondContact O-N 3.13Å; V197-S200 PolarHBondContact O-OG 2.75Å; V197-S200 VanDerWaalsContact O-OG 3.05Å; V197-K201 WeakPolarHBondContact O-CB 3.35Å; V197-K201 PolarHBondContact O-N 3.01Å |
| 198 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | V158 A194 L195 S200 K201 M202 R209 L212 | V158-A198 HydrophobicContact CG1-CB 4.01Å; V158-A198 HydrophobicContact CG2-CB 3.99Å; A194-A198 VanDerWaalsContact O-CB 3.23Å; A194-A198 WeakPolarHBondContact O-CB 3.16Å; A194-A198 PolarHBondContact O-N 3.43Å; L195-A198 PolarHBondContact O-N 3.35Å; A198-S200 VanDerWaalsContact C-N 3.27Å; A198-S200 PolarHBondContact O-N 3.5Å; A198-K201 PolarHBondContact O-N 3.11Å; A198-M202 HydrophobicContact CB-SD 4.11Å; A198-M202 WeakPolarHBondContact O-CA 3.48Å; A198-M202 WeakPolarHBondContact O-CB 3.33Å; A198-M202 PolarHBondContact O-N 2.93Å; A198-R209 HydrophobicContact CB-CB 4.23Å; A198-R209 HydrophobicContact CB-CG 3.96Å; A198-L212 HydrophobicContact CB-CD2 4.12Å |
| 199 | K | 97.3 | Very high | 97.1 | Very high | 113 Ų | 113 | 47.2 Ų | 47.2 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -33.8 | 178.2 | -78.2 | -178.3 | 174.1 | -177.2 | 0 | 112.8 | L195 | L195-K199 HydrophobicContact CD1-CD 4.46Å; L195-K199 HydrophobicContact CD1-CG 4.32Å; L195-K199 HydrophobicContact CG-CD 4.21Å; L195-K199 HydrophobicContact CG-CG 4.44Å; L195-K199 WeakPolarHBondContact O-CB 3.46Å; L195-K199 WeakPolarHBondContact O-CG 3.42Å; L195-K199 PolarHBondContact O-N 3.49Å |
| 200 | S | 97 | Very high | 97.2 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 55% | 0.552 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -86.1 | -22.2 | -177.4 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | D196 V197 A198 | D196-S200 WeakPolarHBondContact O-CB 3.36Å; D196-S200 PolarHBondContact O-N 3.12Å; D196-S200 PolarHBondContact O-OG 2.61Å; V197-S200 PolarHBondContact O-N 3.13Å; V197-S200 PolarHBondContact O-OG 2.75Å; V197-S200 VanDerWaalsContact O-OG 3.05Å; A198-S200 VanDerWaalsContact C-N 3.27Å; A198-S200 PolarHBondContact O-N 3.5Å |
| 201 | K | 97.2 | Very high | 97.1 | Very high | 144 Ų | 144 | 44 Ų | 44 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -127.2 | -10.4 | -169.9 | -59.6 | -62 | 178.3 | -174.1 | 0 | 115.8 | P154 V197 A198 | P154-K201 HydrophobicContact CB-CB 3.6Å; P154-K201 HydrophobicContact CB-CG 4.17Å; P154-K201 HydrophobicContact CG-CB 3.83Å; P154-K201 HydrophobicContact CG-CG 4.11Å; V197-K201 WeakPolarHBondContact O-CB 3.35Å; V197-K201 PolarHBondContact O-N 3.01Å; A198-K201 PolarHBondContact O-N 3.11Å |
| 202 | M | 96 | Very high | 97.1 | Very high | 11 Ų | 11 | 44 Ų | 44 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -128.2 | 143.5 | -172.7 | -54 | 176.6 | 68 | 0 | 0 | 110.8 | E155 V158 A198 H206 I208 R209 | E155-M202 HydrophobicContact CB-CE 4.49Å; E155-M202 HydrophobicContact CG-CE 4.05Å; V158-M202 HydrophobicContact CB-SD 3.99Å; V158-M202 HydrophobicContact CG1-SD 4.19Å; V158-M202 HydrophobicContact CG2-SD 3.75Å; A198-M202 HydrophobicContact CB-SD 4.11Å; A198-M202 WeakPolarHBondContact O-CA 3.48Å; A198-M202 WeakPolarHBondContact O-CB 3.33Å; A198-M202 PolarHBondContact O-N 2.93Å; M202-H206 HydrophobicContact CB-CB 4.32Å; M202-H206 HydrophobicContact CE-CB 4.09Å; M202-H206 WeakPolarHBondContact CE-CE1 3.44Å; M202-H206 WeakPolarHBondContact CE-ND1 3.43Å; M202-I208 HydrophobicContact CE-CB 3.86Å; M202-I208 HydrophobicContact CE-CG2 4.16Å; M202-R209 HydrophobicContact CB-CB 4.48Å; M202-R209 PolarHBondContact O-NH1 2.75Å |
| 203 | Q | 95.1 | Very high | 97.1 | Very high | 119 Ų | 119 | 40.8 Ų | 40.8 | 56% | 0.556 | 21% | 0.208 | S | C | * | . | trans | -64.7 | 148 | 176.2 | -63.8 | -60.4 | -3.1 | 0 | 0 | 111.4 | T205 H206 R209 E244 | Q203-T205 PolarHBondContact O-N 2.68Å; Q203-T205 VanDerWaalsContact O-N 3.16Å; Q203-H206 VanDerWaalsContact O-CB 3.23Å; Q203-H206 WeakPolarHBondContact O-CB 3.43Å; Q203-H206 PolarHBondContact O-N 3.32Å; Q203-R209 WeakPolarHBondContact O-CD 3.46Å; Q203-E244 PolarHBondContact OE1-OE2 3.47Å | ||
| 204 | P | 97.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 38 Ų | 38 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -32.5 | 177.2 | -26.5 | 35.6 | 0 | 0 | 0 | 114.2 | H206 L210 D240 E244 | P204-H206 VanDerWaalsContact C-N 3.3Å; P204-H206 PolarHBondContact O-N 3.45Å; P204-L210 WeakPolarHBondContact O-CG 3.46Å; P204-D240 HydrophobicContact CB-CB 3.77Å; P204-D240 HydrophobicContact CG-CB 4.25Å; P204-E244 WeakPolarHBondContact CD-OE2 3.45Å |
| 205 | T | 96.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.8 | 177.6 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | Q203 P207 L210 A241 E244 L248 S256 | Q203-T205 PolarHBondContact O-N 2.68Å; Q203-T205 VanDerWaalsContact O-N 3.16Å; T205-P207 WeakPolarHBondContact O-CD 3.35Å; T205-L210 WeakPolarHBondContact O-CD1 3.42Å; T205-A241 HydrophobicContact CG2-CB 4.33Å; T205-A241 WeakPolarHBondContact CG2-O 3.49Å; T205-E244 HydrophobicContact CG2-CB 4.11Å; T205-L248 HydrophobicContact CG2-CD1 4.09Å; T205-L248 HydrophobicContact CG2-CD2 4.44Å; T205-L248 HydrophobicContact CG2-CG 4.25Å; T205-L248 WeakPolarHBondContact OG1-CD2 3.38Å; T205-S256 WeakPolarHBondContact O-CB 3.44Å; T205-S256 PolarHBondContact O-OG 3.32Å |
| 206 | H | 95 | Very high | 97.1 | Very high | 52 Ų | 52 | 39 Ų | 39 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | trans | -63.6 | 127.7 | -175.1 | -169.9 | -60.2 | 0 | 0 | 0 | 111.4 | M202 Q203 P204 I208 R209 L210 | M202-H206 HydrophobicContact CB-CB 4.32Å; M202-H206 HydrophobicContact CE-CB 4.09Å; M202-H206 WeakPolarHBondContact CE-CE1 3.44Å; M202-H206 WeakPolarHBondContact CE-ND1 3.43Å; Q203-H206 VanDerWaalsContact O-CB 3.23Å; Q203-H206 WeakPolarHBondContact O-CB 3.43Å; Q203-H206 PolarHBondContact O-N 3.32Å; P204-H206 VanDerWaalsContact C-N 3.3Å; P204-H206 PolarHBondContact O-N 3.45Å; H206-I208 PolarHBondContact ND1-N 3.42Å; H206-I208 VanDerWaalsContact ND1-N 3.19Å; H206-I208 PolarHBondContact O-N 3.18Å; H206-R209 HydrophobicContact CB-CB 4.28Å; H206-R209 WeakPolarHBondContact O-CA 3.45Å; H206-R209 WeakPolarHBondContact O-CB 3.42Å; H206-R209 PolarHBondContact O-N 2.9Å; H206-L210 PolarHBondContact O-N 3.49Å | ||
| 207 | P | 94.5 | Very high | 97.1 | Very high | 31 Ų | 31 | 34.8 Ų | 34.8 | 20% | 0.201 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.4 | -42 | -174.4 | -30.8 | 35.5 | 0 | 0 | 0 | 115 | T205 R209 L210 G211 D255 I259 | T205-P207 WeakPolarHBondContact O-CD 3.35Å; P207-R209 PolarHBondContact O-N 3.49Å; P207-L210 PolarHBondContact O-N 3.31Å; P207-G211 PolarHBondContact O-N 2.98Å; P207-D255 HydrophobicContact CB-CB 4.27Å; P207-D255 HydrophobicContact CG-CB 3.81Å; P207-I259 HydrophobicContact CB-CD1 3.87Å; P207-I259 WeakPolarHBondContact O-CD1 3.49Å |
| 208 | I | 95 | Very high | 97.1 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 19% | 0.19 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 174.8 | -62.3 | 173.7 | 0 | 0 | 0 | 112.3 | E155 V158 F159 M202 H206 G211 L212 | E155-I208 HydrophobicContact CB-CD1 4.06Å; V158-I208 HydrophobicContact CB-CG2 4.23Å; V158-I208 HydrophobicContact CG1-CG2 3.7Å; F159-I208 HydrophobicContact CD2-CD1 4.25Å; M202-I208 HydrophobicContact CE-CB 3.86Å; M202-I208 HydrophobicContact CE-CG2 4.16Å; H206-I208 PolarHBondContact ND1-N 3.42Å; H206-I208 VanDerWaalsContact ND1-N 3.19Å; H206-I208 PolarHBondContact O-N 3.18Å; I208-G211 PolarHBondContact O-N 2.92Å; I208-L212 WeakPolarHBondContact O-CB 3.46Å; I208-L212 PolarHBondContact O-N 3.44Å |
| 209 | R | 97.7 | Very high | 97.1 | Very high | 32 Ų | 32 | 34.5 Ų | 34.5 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.2 | -43.3 | 178.6 | 177 | 173.1 | 169.1 | -178.3 | -8.5 | 110.8 | A198 M202 Q203 H206 P207 L212 A213 D240 | A198-R209 HydrophobicContact CB-CB 4.23Å; A198-R209 HydrophobicContact CB-CG 3.96Å; M202-R209 HydrophobicContact CB-CB 4.48Å; M202-R209 PolarHBondContact O-NH1 2.75Å; Q203-R209 WeakPolarHBondContact O-CD 3.46Å; H206-R209 HydrophobicContact CB-CB 4.28Å; H206-R209 WeakPolarHBondContact O-CA 3.45Å; H206-R209 WeakPolarHBondContact O-CB 3.42Å; H206-R209 PolarHBondContact O-N 2.9Å; P207-R209 PolarHBondContact O-N 3.49Å; R209-L212 WeakPolarHBondContact O-CB 3.25Å; R209-L212 PolarHBondContact O-N 2.88Å; R209-A213 PolarHBondContact O-N 3.39Å; R209-D240 IonicContact NH2-OD2 2.91Å |
| 210 | L | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | 173.8 | -74.2 | 172.2 | 0 | 0 | 0 | 111.8 | P204 T205 H206 P207 L212 A213 L214 A241 I259 M260 L263 | P204-L210 WeakPolarHBondContact O-CG 3.46Å; T205-L210 WeakPolarHBondContact O-CD1 3.42Å; H206-L210 PolarHBondContact O-N 3.49Å; P207-L210 PolarHBondContact O-N 3.31Å; L210-L212 VanDerWaalsContact C-N 3.28Å; L210-L212 PolarHBondContact O-N 3.16Å; L210-A213 PolarHBondContact O-N 2.65Å; L210-A213 VanDerWaalsContact O-N 3.16Å; L210-L214 PolarHBondContact O-N 3.27Å; L210-A241 HydrophobicContact CD2-CB 3.8Å; L210-I259 HydrophobicContact CB-CB 4.15Å; L210-I259 HydrophobicContact CB-CD1 4.37Å; L210-I259 HydrophobicContact CB-CG2 3.65Å; L210-M260 HydrophobicContact CD1-CG 4.04Å; L210-M260 HydrophobicContact CD2-CG 4.24Å; L210-L263 HydrophobicContact CD2-CD1 4.09Å |
| 211 | G | 97.1 | Very high | 97.2 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 12% | 0.124 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -31.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | K162 P207 I208 N215 | K162-G211 WeakPolarHBondContact CE-O 3.37Å; P207-G211 PolarHBondContact O-N 2.98Å; I208-G211 PolarHBondContact O-N 2.92Å; G211-N215 PolarHBondContact O-N 3.21Å; G211-N215 VanDerWaalsContact O-N 3.16Å |
| 212 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -49.9 | 169.9 | 169.1 | 64.7 | 0 | 0 | 0 | 111.2 | V158 K162 Y191 A194 L195 A198 I208 R209 L210 L214 N215 F216 | V158-L212 HydrophobicContact CG1-CD2 4Å; K162-L212 HydrophobicContact CB-CD1 4.03Å; K162-L212 HydrophobicContact CD-CB 4.12Å; K162-L212 HydrophobicContact CG-CB 4.37Å; K162-L212 HydrophobicContact CG-CD1 4Å; Y191-L212 HydrophobicContact CD1-CD1 3.64Å; Y191-L212 HydrophobicContact CE1-CD1 4.34Å; A194-L212 VanDerWaalsContact C-CD2 3.42Å; A194-L212 HydrophobicContact CB-CD1 3.76Å; A194-L212 HydrophobicContact CB-CD2 3.61Å; A194-L212 HydrophobicContact CB-CG 4.35Å; A194-L212 WeakPolarHBondContact O-CD2 3.45Å; L195-L212 HydrophobicContact CB-CD2 4.15Å; L195-L212 HydrophobicContact CD1-CD2 4.26Å; A198-L212 HydrophobicContact CB-CD2 4.12Å; I208-L212 WeakPolarHBondContact O-CB 3.46Å; I208-L212 PolarHBondContact O-N 3.44Å; R209-L212 WeakPolarHBondContact O-CB 3.25Å; R209-L212 PolarHBondContact O-N 2.88Å; L210-L212 VanDerWaalsContact C-N 3.28Å; L210-L212 PolarHBondContact O-N 3.16Å; L212-L214 VanDerWaalsContact C-N 3.29Å; L212-L214 PolarHBondContact O-N 3.02Å; L212-N215 PolarHBondContact O-N 3.39Å; L212-F216 WeakPolarHBondContact O-CB 3.48Å; L212-F216 PolarHBondContact O-N 3.39Å |
| 213 | A | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | R209 L210 F216 S217 A237 | R209-A213 PolarHBondContact O-N 3.39Å; L210-A213 PolarHBondContact O-N 2.65Å; L210-A213 VanDerWaalsContact O-N 3.16Å; A213-F216 PolarHBondContact O-N 3.31Å; A213-S217 WeakPolarHBondContact O-CB 3.47Å; A213-S217 PolarHBondContact O-N 3.27Å; A213-S217 PolarHBondContact O-OG 3Å; A213-A237 HydrophobicContact CB-CB 3.51Å |
| 214 | L | 98.4 | Very high | 97.3 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.099 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.3 | -50.6 | 173.9 | 177.4 | 65.5 | 0 | 0 | 0 | 112 | L210 L212 S217 V218 I259 L262 L263 N266 | L210-L214 PolarHBondContact O-N 3.27Å; L212-L214 VanDerWaalsContact C-N 3.29Å; L212-L214 PolarHBondContact O-N 3.02Å; L214-S217 PolarHBondContact O-OG 3.11Å; L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 3.39Å; L214-V218 PolarHBondContact O-N 2.98Å; L214-V218 VanDerWaalsContact O-N 3.16Å; L214-I259 HydrophobicContact CD2-CG2 4.26Å; L214-L262 HydrophobicContact CD1-CB 4.16Å; L214-L262 HydrophobicContact CD2-CB 3.88Å; L214-L262 HydrophobicContact CD2-CD1 3.91Å; L214-L263 HydrophobicContact CB-CD2 3.93Å; L214-L263 HydrophobicContact CB-CG 4.3Å; L214-L263 HydrophobicContact CD1-CD2 3.88Å; L214-L263 HydrophobicContact CD1-CG 4.15Å; L214-N266 WeakPolarHBondContact CD1-ND2 3.31Å |
| 215 | N | 97.7 | Very high | 97.2 | Very high | 31 Ų | 31 | 29.6 Ų | 29.6 | 17% | 0.166 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.7 | -33.8 | -177.1 | -75.3 | 17.2 | 0 | 0 | 0 | 112.2 | K162 D166 Y191 G211 L212 F219 | K162-N215 PolarHBondContact NZ-ND2 3.34Å; D166-N215 VanDerWaalsContact CG-ND2 3.29Å; D166-N215 WeakPolarHBondContact OD1-CB 3.4Å; D166-N215 PolarHBondContact OD1-ND2 3.15Å; D166-N215 PolarHBondContact OD2-ND2 3.02Å; Y191-N215 HydrophobicContact CE1-CB 4.17Å; G211-N215 PolarHBondContact O-N 3.21Å; G211-N215 VanDerWaalsContact O-N 3.16Å; L212-N215 PolarHBondContact O-N 3.39Å; N215-F219 PolarHBondContact O-N 3.5Å |
| 216 | F | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.4 | -33.2 | 178.6 | -165.8 | -168.1 | 0 | 0 | 0 | 112 | Q188 Y191 Q192 L195 L212 A213 F219 F220 L233 | Q188-F216 HydrophobicContact CG-CE2 4.34Å; Q188-F216 HydrophobicContact CG-CZ 4.37Å; Y191-F216 HydrophobicContact CD1-CB 4.25Å; Y191-F216 AromaticContact CD2-CD2 3.7Å; Y191-F216 HydrophobicContact CD2-CD2 3.7Å; Y191-F216 HydrophobicContact CD2-CE2 4.14Å; Y191-F216 HydrophobicContact CD2-CG 4.3Å; Y191-F216 HydrophobicContact CG-CB 4.14Å; Y191-F216 AromaticContact CG-CD2 3.76Å; Y191-F216 HydrophobicContact CG-CD2 3.76Å; Y191-F216 HydrophobicContact CG-CE2 4.24Å; Y191-F216 AromaticContact CG-CG 3.93Å; Y191-F216 HydrophobicContact CG-CG 3.93Å; Q192-F216 HydrophobicContact CB-CZ 4.49Å; L195-F216 HydrophobicContact CD2-CD1 4.09Å; L195-F216 HydrophobicContact CD2-CE1 4.06Å; L212-F216 WeakPolarHBondContact O-CB 3.48Å; L212-F216 PolarHBondContact O-N 3.39Å; A213-F216 PolarHBondContact O-N 3.31Å; F216-F219 HydrophobicContact CD2-CB 4.23Å; F216-F219 AromaticContact CD2-CD1 3.77Å; F216-F219 HydrophobicContact CD2-CD1 3.77Å; F216-F219 HydrophobicContact CD2-CG 4.36Å; F216-F219 AromaticContact CE2-CD1 3.71Å; F216-F219 HydrophobicContact CE2-CD1 3.71Å; F216-F219 HydrophobicContact CE2-CE1 4.14Å; F216-F219 WeakPolarHBondContact O-CB 3.18Å; F216-F219 PolarHBondContact O-N 3.43Å; F216-F220 HydrophobicContact CD1-CE2 4.11Å; F216-F220 AromaticContact CD2-CD2 3.96Å; F216-F220 HydrophobicContact CD2-CD2 3.96Å; F216-F220 AromaticContact CD2-CE2 3.6Å; F216-F220 HydrophobicContact CD2-CE2 3.6Å; F216-F220 HydrophobicContact CD2-CZ 4.19Å; F216-F220 AromaticContact CE1-CE2 3.91Å; F216-F220 HydrophobicContact CE1-CE2 3.91Å; F216-F220 HydrophobicContact CE1-CZ 4.23Å; F216-F220 HydrophobicContact CE2-CD2 4.08Å; F216-F220 HydrophobicContact CE2-CE1 4.28Å; F216-F220 AromaticContact CE2-CE2 3.36Å; F216-F220 HydrophobicContact CE2-CE2 3.36Å; F216-F220 AromaticContact CE2-CZ 3.48Å; F216-F220 HydrophobicContact CE2-CZ 3.48Å; F216-F220 VanDerWaalsContact CE2-CZ 3.48Å; F216-F220 HydrophobicContact CG-CD2 4.4Å; F216-F220 AromaticContact CG-CE2 3.98Å; F216-F220 HydrophobicContact CG-CE2 3.98Å; F216-F220 AromaticContact CZ-CE2 3.53Å; F216-F220 HydrophobicContact CZ-CE2 3.53Å; F216-F220 AromaticContact CZ-CZ 3.51Å; F216-F220 HydrophobicContact CZ-CZ 3.51Å; F216-F220 WeakPolarHBondContact O-CD2 3.49Å; F216-F220 PolarHBondContact O-N 3.3Å; F216-L233 HydrophobicContact CB-CD2 3.82Å; F216-L233 HydrophobicContact CD1-CD2 3.74Å; F216-L233 HydrophobicContact CG-CD2 3.84Å |
| 217 | S | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 171.5 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | A213 L214 F219 F220 Y221 A230 | A213-S217 WeakPolarHBondContact O-CB 3.47Å; A213-S217 PolarHBondContact O-N 3.27Å; A213-S217 PolarHBondContact O-OG 3Å; L214-S217 PolarHBondContact O-OG 3.11Å; S217-F219 VanDerWaalsContact C-N 3.29Å; S217-F219 PolarHBondContact O-N 3.02Å; S217-F220 PolarHBondContact O-N 3.16Å; S217-F220 VanDerWaalsContact O-N 3.15Å; S217-Y221 PolarHBondContact O-N 2.81Å; S217-A230 WeakPolarHBondContact CB-O 3.31Å; S217-A230 WeakPolarHBondContact O-CB 3.49Å |
| 218 | V | 97.8 | Very high | 97.4 | Very high | 22 Ų | 22 | 34.5 Ų | 34.5 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59 | -40.8 | 172.4 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L214 F220 Y221 E222 N266 W270 | L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 3.39Å; L214-V218 PolarHBondContact O-N 2.98Å; L214-V218 VanDerWaalsContact O-N 3.16Å; V218-F220 PolarHBondContact O-N 3.39Å; V218-Y221 PolarHBondContact O-N 3.16Å; V218-E222 HydrophobicContact CG1-CG 4.02Å; V218-E222 WeakPolarHBondContact O-CB 3.39Å; V218-E222 PolarHBondContact O-N 2.91Å; V218-N266 WeakPolarHBondContact CG2-ND2 3.19Å; V218-W270 HydrophobicContact CG2-CH2 4.14Å; V218-W270 HydrophobicContact CG2-CZ2 4.03Å |
| 219 | F | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | 173.9 | 172.4 | -98 | 0 | 0 | 0 | 112.3 | R169 V184 S187 Q188 Y191 N215 F216 S217 Y221 I223 L224 | R169-F219 HydrophobicContact CB-CD2 4.2Å; R169-F219 HydrophobicContact CG-CD2 4.21Å; V184-F219 HydrophobicContact CG1-CE2 4.42Å; V184-F219 HydrophobicContact CG1-CZ 3.94Å; S187-F219 VanDerWaalsContact CB-CE2 3.49Å; S187-F219 WeakPolarHBondContact OG-CD2 3.39Å; S187-F219 WeakPolarHBondContact OG-CE2 3.42Å; Q188-F219 HydrophobicContact CB-CE1 3.75Å; Q188-F219 HydrophobicContact CB-CZ 3.85Å; Q188-F219 HydrophobicContact CG-CE1 4.08Å; Y191-F219 HydrophobicContact CD2-CB 4.25Å; Y191-F219 HydrophobicContact CD2-CD1 4.37Å; Y191-F219 HydrophobicContact CD2-CD2 4.48Å; Y191-F219 HydrophobicContact CD2-CG 4.12Å; Y191-F219 HydrophobicContact CE2-CB 3.83Å; Y191-F219 HydrophobicContact CE2-CD2 4.12Å; Y191-F219 AromaticContact CE2-CG 3.96Å; Y191-F219 HydrophobicContact CE2-CG 3.96Å; N215-F219 PolarHBondContact O-N 3.5Å; F216-F219 HydrophobicContact CD2-CB 4.23Å; F216-F219 AromaticContact CD2-CD1 3.77Å; F216-F219 HydrophobicContact CD2-CD1 3.77Å; F216-F219 HydrophobicContact CD2-CG 4.36Å; F216-F219 AromaticContact CE2-CD1 3.71Å; F216-F219 HydrophobicContact CE2-CD1 3.71Å; F216-F219 HydrophobicContact CE2-CE1 4.14Å; F216-F219 WeakPolarHBondContact O-CB 3.18Å; F216-F219 PolarHBondContact O-N 3.43Å; S217-F219 VanDerWaalsContact C-N 3.29Å; S217-F219 PolarHBondContact O-N 3.02Å; F219-Y221 VanDerWaalsContact C-N 3.28Å; F219-Y221 PolarHBondContact O-N 3.49Å; F219-I223 HydrophobicContact CD2-CB 3.75Å; F219-I223 HydrophobicContact CD2-CG1 3.72Å; F219-I223 HydrophobicContact CD2-CG2 4.1Å; F219-I223 HydrophobicContact CE2-CB 3.81Å; F219-I223 HydrophobicContact CE2-CG1 4.16Å; F219-I223 HydrophobicContact CE2-CG2 3.65Å; F219-I223 HydrophobicContact CG-CB 4.45Å; F219-I223 HydrophobicContact CZ-CG2 4.37Å; F219-I223 WeakPolarHBondContact O-CA 3.28Å; F219-I223 VanDerWaalsContact O-CB 3.31Å; F219-I223 WeakPolarHBondContact O-CB 3.41Å; F219-I223 PolarHBondContact O-N 2.88Å; F219-L224 HydrophobicContact CD1-CD1 4.08Å; F219-L224 HydrophobicContact CD1-CG 4.36Å; F219-L224 HydrophobicContact CE1-CD1 3.36Å; F219-L224 HydrophobicContact CE1-CG 3.68Å; F219-L224 HydrophobicContact CZ-CD1 4.03Å; F219-L224 HydrophobicContact CZ-CD2 4.42Å; F219-L224 HydrophobicContact CZ-CG 3.91Å; F219-L224 PolarHBondContact O-N 2.96Å |
| 220 | F | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -40.4 | 176.9 | -80 | -61.8 | 0 | 0 | 0 | 112.1 | F216 S217 V218 L224 N225 S226 R229 A230 L233 | F216-F220 HydrophobicContact CD1-CE2 4.11Å; F216-F220 AromaticContact CD2-CD2 3.96Å; F216-F220 HydrophobicContact CD2-CD2 3.96Å; F216-F220 AromaticContact CD2-CE2 3.6Å; F216-F220 HydrophobicContact CD2-CE2 3.6Å; F216-F220 HydrophobicContact CD2-CZ 4.19Å; F216-F220 AromaticContact CE1-CE2 3.91Å; F216-F220 HydrophobicContact CE1-CE2 3.91Å; F216-F220 HydrophobicContact CE1-CZ 4.23Å; F216-F220 HydrophobicContact CE2-CD2 4.08Å; F216-F220 HydrophobicContact CE2-CE1 4.28Å; F216-F220 AromaticContact CE2-CE2 3.36Å; F216-F220 HydrophobicContact CE2-CE2 3.36Å; F216-F220 AromaticContact CE2-CZ 3.48Å; F216-F220 HydrophobicContact CE2-CZ 3.48Å; F216-F220 VanDerWaalsContact CE2-CZ 3.48Å; F216-F220 HydrophobicContact CG-CD2 4.4Å; F216-F220 AromaticContact CG-CE2 3.98Å; F216-F220 HydrophobicContact CG-CE2 3.98Å; F216-F220 AromaticContact CZ-CE2 3.53Å; F216-F220 HydrophobicContact CZ-CE2 3.53Å; F216-F220 AromaticContact CZ-CZ 3.51Å; F216-F220 HydrophobicContact CZ-CZ 3.51Å; F216-F220 WeakPolarHBondContact O-CD2 3.49Å; F216-F220 PolarHBondContact O-N 3.3Å; S217-F220 PolarHBondContact O-N 3.16Å; S217-F220 VanDerWaalsContact O-N 3.15Å; V218-F220 PolarHBondContact O-N 3.39Å; F220-L224 HydrophobicContact CD1-CB 4.5Å; F220-L224 HydrophobicContact CD1-CD1 3.58Å; F220-L224 HydrophobicContact CE1-CD1 3.69Å; F220-L224 CarbonylContact O-C 3.57Å; F220-N225 PolarHBondContact O-N 2.93Å; F220-S226 PolarHBondContact O-N 3.42Å; F220-R229 HydrophobicContact CB-CB 4.35Å; F220-R229 HydrophobicContact CD1-CB 4Å; F220-R229 HydrophobicContact CE1-CB 4.47Å; F220-R229 HydrophobicContact CG-CB 4.05Å; F220-A230 HydrophobicContact CB-CB 3.83Å; F220-L233 HydrophobicContact CD2-CD2 4.07Å; F220-L233 HydrophobicContact CE2-CD2 3.97Å |
| 221 | Y | 97.7 | Very high | 97.6 | Very high | 52 Ų | 52 | 39 Ų | 39 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.5 | -59.6 | -179.6 | -167.5 | -88.8 | 0 | 0 | 0 | 111.7 | S217 V218 F219 N225 P227 A230 W270 | S217-Y221 PolarHBondContact O-N 2.81Å; V218-Y221 PolarHBondContact O-N 3.16Å; F219-Y221 VanDerWaalsContact C-N 3.28Å; F219-Y221 PolarHBondContact O-N 3.49Å; Y221-N225 WeakPolarHBondContact O-CA 3.44Å; Y221-N225 PolarHBondContact O-N 3.43Å; Y221-P227 HydrophobicContact CD2-CB 3.83Å; Y221-P227 HydrophobicContact CE2-CB 3.79Å; Y221-A230 HydrophobicContact CD2-CB 4.3Å; Y221-W270 AromaticContact CD1-NE1 3.61Å; Y221-W270 HydrophobicContact CD2-CB 4.16Å; Y221-W270 AromaticContact CD2-CD1 3.62Å; Y221-W270 AromaticContact CD2-CD2 3.68Å; Y221-W270 HydrophobicContact CD2-CD2 3.68Å; Y221-W270 AromaticContact CD2-CE2 3.81Å; Y221-W270 HydrophobicContact CD2-CE3 4.35Å; Y221-W270 AromaticContact CD2-CG 3.57Å; Y221-W270 HydrophobicContact CD2-CG 3.57Å; Y221-W270 AromaticContact CD2-NE1 3.75Å; Y221-W270 AromaticContact CE1-CD1 3.7Å; Y221-W270 AromaticContact CE1-NE1 3.69Å; Y221-W270 HydrophobicContact CE2-CB 3.69Å; Y221-W270 AromaticContact CE2-CD1 3.29Å; Y221-W270 HydrophobicContact CE2-CD2 4.05Å; Y221-W270 AromaticContact CE2-CG 3.4Å; Y221-W270 HydrophobicContact CE2-CG 3.4Å; Y221-W270 AromaticContact CE2-NE1 3.85Å; Y221-W270 AromaticContact CG-CD1 3.98Å; Y221-W270 HydrophobicContact CG-CD2 4.1Å; Y221-W270 AromaticContact CG-CE2 3.72Å; Y221-W270 HydrophobicContact CG-CG 4.25Å; Y221-W270 HydrophobicContact CG-CZ2 4.15Å; Y221-W270 AromaticContact CG-NE1 3.64Å; Y221-W270 AromaticContact CZ-CD1 3.33Å; Y221-W270 AromaticContact CZ-CG 3.94Å; Y221-W270 AromaticContact CZ-NE1 3.82Å |
| 222 | E | 96 | Very high | 97.6 | Very high | 106 Ų | 106 | 45.1 Ų | 45.1 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -81.4 | -29.9 | -168.7 | -64 | -175.3 | 175.5 | 0 | 0 | 113.9 | V218 | V218-E222 HydrophobicContact CG1-CG 4.02Å; V218-E222 WeakPolarHBondContact O-CB 3.39Å; V218-E222 PolarHBondContact O-N 2.91Å |
| 223 | I | 97.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 9% | 0.087 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -44.9 | -172.1 | -52.2 | -58.4 | 0 | 0 | 0 | 112.3 | R169 A172 E173 V184 F219 | R169-I223 HydrophobicContact CG-CD1 4.16Å; R169-I223 HydrophobicContact CG-CG1 3.87Å; A172-I223 HydrophobicContact CB-CD1 4.49Å; A172-I223 HydrophobicContact CB-CG2 3.91Å; E173-I223 HydrophobicContact CG-CD1 3.76Å; V184-I223 HydrophobicContact CG1-CG2 4.28Å; V184-I223 HydrophobicContact CG2-CG2 3.72Å; F219-I223 HydrophobicContact CD2-CB 3.75Å; F219-I223 HydrophobicContact CD2-CG1 3.72Å; F219-I223 HydrophobicContact CD2-CG2 4.1Å; F219-I223 HydrophobicContact CE2-CB 3.81Å; F219-I223 HydrophobicContact CE2-CG1 4.16Å; F219-I223 HydrophobicContact CE2-CG2 3.65Å; F219-I223 HydrophobicContact CG-CB 4.45Å; F219-I223 HydrophobicContact CZ-CG2 4.37Å; F219-I223 WeakPolarHBondContact O-CA 3.28Å; F219-I223 VanDerWaalsContact O-CB 3.31Å; F219-I223 WeakPolarHBondContact O-CB 3.41Å; F219-I223 PolarHBondContact O-N 2.88Å |
| 224 | L | 96.6 | Very high | 97.6 | Very high | 46 Ų | 46 | 46 Ų | 46 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -3.1 | -179.7 | -72.1 | -178.9 | 0 | 0 | 0 | 113.7 | V184 F219 F220 S226 | V184-L224 HydrophobicContact CG1-CD2 3.46Å; V184-L224 VanDerWaalsContact CG1-CD2 3.46Å; V184-L224 HydrophobicContact CG1-CG 4.36Å; F219-L224 HydrophobicContact CD1-CD1 4.08Å; F219-L224 HydrophobicContact CD1-CG 4.36Å; F219-L224 HydrophobicContact CE1-CD1 3.36Å; F219-L224 HydrophobicContact CE1-CG 3.68Å; F219-L224 HydrophobicContact CZ-CD1 4.03Å; F219-L224 HydrophobicContact CZ-CD2 4.42Å; F219-L224 HydrophobicContact CZ-CG 3.91Å; F219-L224 PolarHBondContact O-N 2.96Å; F220-L224 HydrophobicContact CD1-CB 4.5Å; F220-L224 HydrophobicContact CD1-CD1 3.58Å; F220-L224 HydrophobicContact CE1-CD1 3.69Å; F220-L224 CarbonylContact O-C 3.57Å; L224-S226 PolarHBondContact O-N 3.19Å; L224-S226 VanDerWaalsContact O-N 3.16Å; L224-S226 PolarHBondContact O-OG 3.45Å; L224-S226 VanDerWaalsContact O-OG 3.07Å |
| 225 | N | 95.9 | Very high | 97.5 | Very high | 138 Ų | 138 | 51 Ų | 51 | 74% | 0.738 | 25% | 0.25 | S | C | * | . | trans | 48 | 44 | -177.5 | -166 | 43.2 | 0 | 0 | 0 | 112.2 | F220 Y221 P227 | F220-N225 PolarHBondContact O-N 2.93Å; Y221-N225 WeakPolarHBondContact O-CA 3.44Å; Y221-N225 PolarHBondContact O-N 3.43Å; N225-P227 VanDerWaalsContact C-CD 3.42Å; N225-P227 WeakPolarHBondContact O-CD 3.31Å | ||
| 226 | S | 97.1 | Very high | 97.5 | Very high | 34 Ų | 34 | 54 Ų | 54 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | trans | -121.3 | 67.7 | -175.3 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | F220 L224 D228 R229 A230 | F220-S226 PolarHBondContact O-N 3.42Å; L224-S226 PolarHBondContact O-N 3.19Å; L224-S226 VanDerWaalsContact O-N 3.16Å; L224-S226 PolarHBondContact O-OG 3.45Å; L224-S226 VanDerWaalsContact O-OG 3.07Å; S226-D228 VanDerWaalsContact C-N 3.28Å; S226-D228 PolarHBondContact O-N 2.98Å; S226-R229 PolarHBondContact O-N 3.38Å; S226-R229 VanDerWaalsContact O-N 3.13Å; S226-A230 PolarHBondContact O-N 3.04Å; S226-A230 VanDerWaalsContact O-N 3.1Å | ||
| 227 | P | 96.9 | Very high | 97.5 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -36.1 | -172.5 | 24.6 | -34.8 | 0 | 0 | 0 | 112.8 | Y221 N225 R229 A230 C231 | Y221-P227 HydrophobicContact CD2-CB 3.83Å; Y221-P227 HydrophobicContact CE2-CB 3.79Å; N225-P227 VanDerWaalsContact C-CD 3.42Å; N225-P227 WeakPolarHBondContact O-CD 3.31Å; P227-R229 VanDerWaalsContact C-N 3.34Å; P227-R229 PolarHBondContact O-N 3.5Å; P227-A230 WeakPolarHBondContact O-CB 3.44Å; P227-A230 PolarHBondContact O-N 3.39Å; P227-A230 VanDerWaalsContact O-N 3.17Å; P227-C231 WeakPolarHBondContact O-CB 3.45Å; P227-C231 PolarHBondContact O-N 3.15Å; P227-C231 PolarHBondContact O-SG 3.35Å; P227-C231 VanDerWaalsContact O-SG 3.41Å |
| 228 | D | 96.3 | Very high | 97.5 | Very high | 126 Ų | 126 | 56.6 Ų | 56.6 | 67% | 0.674 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 177.3 | -63.5 | -27.3 | 0 | 0 | 0 | 112.3 | S226 Q232 | S226-D228 VanDerWaalsContact C-N 3.28Å; S226-D228 PolarHBondContact O-N 2.98Å; D228-Q232 VanDerWaalsContact O-CB 3.24Å; D228-Q232 WeakPolarHBondContact O-CB 3.28Å; D228-Q232 PolarHBondContact O-N 3.5Å |
| 229 | R | 97.3 | Very high | 97.5 | Very high | 140 Ų | 140 | 59.1 Ų | 59.1 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 176.8 | -69.4 | -172.7 | -177.2 | 174.3 | 3 | 111.4 | F220 S226 P227 Q232 L233 | F220-R229 HydrophobicContact CB-CB 4.35Å; F220-R229 HydrophobicContact CD1-CB 4Å; F220-R229 HydrophobicContact CE1-CB 4.47Å; F220-R229 HydrophobicContact CG-CB 4.05Å; S226-R229 PolarHBondContact O-N 3.38Å; S226-R229 VanDerWaalsContact O-N 3.13Å; P227-R229 VanDerWaalsContact C-N 3.34Å; P227-R229 PolarHBondContact O-N 3.5Å; R229-Q232 PolarHBondContact O-N 3.48Å; R229-L233 WeakPolarHBondContact O-CB 3.31Å; R229-L233 PolarHBondContact O-N 2.97Å |
| 230 | A | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -51.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S217 F220 Y221 S226 P227 L233 A234 W270 | S217-A230 WeakPolarHBondContact CB-O 3.31Å; S217-A230 WeakPolarHBondContact O-CB 3.49Å; F220-A230 HydrophobicContact CB-CB 3.83Å; Y221-A230 HydrophobicContact CD2-CB 4.3Å; S226-A230 PolarHBondContact O-N 3.04Å; S226-A230 VanDerWaalsContact O-N 3.1Å; P227-A230 WeakPolarHBondContact O-CB 3.44Å; P227-A230 PolarHBondContact O-N 3.39Å; P227-A230 VanDerWaalsContact O-N 3.17Å; A230-L233 PolarHBondContact O-N 2.91Å; A230-A234 WeakPolarHBondContact O-CB 3.47Å; A230-A234 PolarHBondContact O-N 2.76Å; A230-W270 HydrophobicContact CB-CE3 4.2Å; A230-W270 HydrophobicContact CB-CH2 4.38Å; A230-W270 HydrophobicContact CB-CZ3 3.91Å |
| 231 | C | 97.7 | Very high | 97.3 | Very high | 24 Ų | 24 | 60.5 Ų | 60.5 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.6 | -71.5 | 0 | 0 | 0 | 0 | 111.7 | P227 L233 A234 K235 L267 | P227-C231 WeakPolarHBondContact O-CB 3.45Å; P227-C231 PolarHBondContact O-N 3.15Å; P227-C231 PolarHBondContact O-SG 3.35Å; P227-C231 VanDerWaalsContact O-SG 3.41Å; C231-L233 PolarHBondContact O-N 3.18Å; C231-A234 PolarHBondContact O-N 3.25Å; C231-K235 WeakPolarHBondContact O-CB 3.4Å; C231-K235 PolarHBondContact O-N 3.11Å; C231-L267 HydrophobicContact CB-CD2 4.17Å |
| 232 | Q | 97.8 | Very high | 97.2 | Very high | 141 Ų | 141 | 62.1 Ų | 62.1 | 66% | 0.659 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.9 | -48.3 | 177.2 | -174.8 | -179.4 | 30.3 | 0 | 0 | 111.6 | D228 R229 Q236 | D228-Q232 VanDerWaalsContact O-CB 3.24Å; D228-Q232 WeakPolarHBondContact O-CB 3.28Å; D228-Q232 PolarHBondContact O-N 3.5Å; R229-Q232 PolarHBondContact O-N 3.48Å; Q232-Q236 VanDerWaalsContact O-CB 3.31Å; Q232-Q236 WeakPolarHBondContact O-CB 3.49Å; Q232-Q236 PolarHBondContact O-N 3.18Å |
| 233 | L | 98.2 | Very high | 97.2 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | -179.4 | 179.9 | 61.1 | 0 | 0 | 0 | 111.9 | L195 F216 F220 R229 A230 C231 Q236 A237 | L195-L233 HydrophobicContact CD2-CD1 4.13Å; F216-L233 HydrophobicContact CB-CD2 3.82Å; F216-L233 HydrophobicContact CD1-CD2 3.74Å; F216-L233 HydrophobicContact CG-CD2 3.84Å; F220-L233 HydrophobicContact CD2-CD2 4.07Å; F220-L233 HydrophobicContact CE2-CD2 3.97Å; R229-L233 WeakPolarHBondContact O-CB 3.31Å; R229-L233 PolarHBondContact O-N 2.97Å; A230-L233 PolarHBondContact O-N 2.91Å; C231-L233 PolarHBondContact O-N 3.18Å; L233-Q236 PolarHBondContact O-N 3.02Å; L233-A237 WeakPolarHBondContact O-CB 3.32Å; L233-A237 PolarHBondContact O-N 3.32Å |
| 234 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | A230 C231 A237 F238 L263 L267 W270 | A230-A234 WeakPolarHBondContact O-CB 3.47Å; A230-A234 PolarHBondContact O-N 2.76Å; C231-A234 PolarHBondContact O-N 3.25Å; A234-A237 PolarHBondContact O-N 3.38Å; A234-F238 WeakPolarHBondContact O-CB 3.41Å; A234-F238 PolarHBondContact O-N 2.92Å; A234-L263 HydrophobicContact CB-CD2 3.89Å; A234-L267 HydrophobicContact CB-CD1 4.28Å; A234-L267 HydrophobicContact CB-CD2 3.89Å; A234-L267 HydrophobicContact CB-CG 3.94Å; A234-W270 HydrophobicContact CB-CZ3 4.23Å |
| 235 | K | 97.7 | Very high | 96.8 | Very high | 122 Ų | 122 | 62.3 Ų | 62.3 | 53% | 0.53 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 177.4 | -175.9 | 176.4 | 179.5 | -177.8 | 0 | 111.6 | C231 A237 F238 D239 L267 | C231-K235 WeakPolarHBondContact O-CB 3.4Å; C231-K235 PolarHBondContact O-N 3.11Å; K235-A237 VanDerWaalsContact C-N 3.33Å; K235-A237 PolarHBondContact O-N 3.36Å; K235-F238 PolarHBondContact O-N 2.89Å; K235-D239 WeakPolarHBondContact CG-OD2 3.5Å; K235-D239 WeakPolarHBondContact O-CB 2.99Å; K235-D239 PolarHBondContact O-N 2.99Å; K235-L267 HydrophobicContact CB-CD1 4.29Å; K235-L267 HydrophobicContact CB-CD2 4.29Å |
| 236 | Q | 98.1 | Very high | 96.5 | Very high | 96 Ų | 96 | 62.5 Ų | 62.5 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 177.6 | -173.7 | 68.1 | 45.7 | 0 | 0 | 111.6 | Q232 L233 F238 D239 D240 | Q232-Q236 VanDerWaalsContact O-CB 3.31Å; Q232-Q236 WeakPolarHBondContact O-CB 3.49Å; Q232-Q236 PolarHBondContact O-N 3.18Å; L233-Q236 PolarHBondContact O-N 3.02Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 2.83Å; Q236-D239 PolarHBondContact O-N 3.03Å; Q236-D240 PolarHBondContact NE2-OD1 3.3Å; Q236-D240 WeakPolarHBondContact O-CB 3.21Å; Q236-D240 PolarHBondContact O-N 3.33Å |
| 237 | A | 98.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 65.5 Ų | 65.5 | 12% | 0.116 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A213 L233 A234 K235 A241 L263 | A213-A237 HydrophobicContact CB-CB 3.51Å; L233-A237 WeakPolarHBondContact O-CB 3.32Å; L233-A237 PolarHBondContact O-N 3.32Å; A234-A237 PolarHBondContact O-N 3.38Å; K235-A237 VanDerWaalsContact C-N 3.33Å; K235-A237 PolarHBondContact O-N 3.36Å; A237-A241 VanDerWaalsContact O-CB 3.28Å; A237-A241 WeakPolarHBondContact O-CB 3.32Å; A237-A241 PolarHBondContact O-N 3.49Å; A237-A241 VanDerWaalsContact O-N 3.16Å; A237-L263 HydrophobicContact CB-CD1 4.25Å |
| 238 | F | 97.6 | Very high | 95.6 | Very high | 41 Ų | 41 | 66.1 Ų | 66.1 | 18% | 0.18 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.9 | -47.7 | 176.9 | -173.6 | -94.9 | 0 | 0 | 0 | 111.9 | A234 K235 Q236 A241 I242 M260 L263 R264 | A234-F238 WeakPolarHBondContact O-CB 3.41Å; A234-F238 PolarHBondContact O-N 2.92Å; K235-F238 PolarHBondContact O-N 2.89Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 2.83Å; F238-A241 PolarHBondContact O-N 3.15Å; F238-I242 HydrophobicContact CD1-CD1 3.67Å; F238-I242 HydrophobicContact CD1-CG1 4.36Å; F238-I242 HydrophobicContact CE1-CD1 3.13Å; F238-I242 HydrophobicContact CE1-CG1 4.13Å; F238-I242 HydrophobicContact CZ-CD1 3.64Å; F238-I242 HydrophobicContact CZ-CG1 4.43Å; F238-I242 PolarHBondContact O-N 3.26Å; F238-M260 HydrophobicContact CD2-CB 4.02Å; F238-M260 HydrophobicContact CD2-CE 4.4Å; F238-M260 HydrophobicContact CD2-CG 4.5Å; F238-M260 WeakPolarHBondContact CD2-O 3.44Å; F238-M260 HydrophobicContact CE2-CB 3.96Å; F238-M260 HydrophobicContact CE2-CE 4.31Å; F238-M260 WeakPolarHBondContact CE2-O 3.29Å; F238-L263 HydrophobicContact CD2-CB 4.41Å; F238-R264 HydrophobicContact CE2-CB 4Å; F238-R264 HydrophobicContact CZ-CB 4.43Å |
| 239 | D | 97.6 | Very high | 95.2 | Very high | 74 Ų | 74 | 64.8 Ų | 64.8 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | -179.8 | -68.7 | -17.1 | 0 | 0 | 0 | 111.2 | K235 Q236 A241 I242 A243 | K235-D239 WeakPolarHBondContact CG-OD2 3.5Å; K235-D239 WeakPolarHBondContact O-CB 2.99Å; K235-D239 PolarHBondContact O-N 2.99Å; Q236-D239 PolarHBondContact O-N 3.03Å; D239-A241 VanDerWaalsContact C-N 3.3Å; D239-A241 PolarHBondContact O-N 3.3Å; D239-I242 PolarHBondContact O-N 2.78Å; D239-A243 PolarHBondContact O-N 3.05Å; D239-A243 VanDerWaalsContact O-N 3.15Å |
| 240 | D | 96.8 | Very high | 94.5 | Very high | 46 Ų | 46 | 64.6 Ų | 64.6 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60 | -40.1 | 175.6 | -69.7 | -13.8 | 0 | 0 | 0 | 111.4 | P204 R209 Q236 | P204-D240 HydrophobicContact CB-CB 3.77Å; P204-D240 HydrophobicContact CG-CB 4.25Å; R209-D240 IonicContact NH2-OD2 2.91Å; Q236-D240 PolarHBondContact NE2-OD1 3.3Å; Q236-D240 WeakPolarHBondContact O-CB 3.21Å; Q236-D240 PolarHBondContact O-N 3.33Å |
| 241 | A | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -74.6 | -35.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T205 L210 A237 F238 D239 A243 E244 L245 M260 | T205-A241 HydrophobicContact CG2-CB 4.33Å; T205-A241 WeakPolarHBondContact CG2-O 3.49Å; L210-A241 HydrophobicContact CD2-CB 3.8Å; A237-A241 VanDerWaalsContact O-CB 3.28Å; A237-A241 WeakPolarHBondContact O-CB 3.32Å; A237-A241 PolarHBondContact O-N 3.49Å; A237-A241 VanDerWaalsContact O-N 3.16Å; F238-A241 PolarHBondContact O-N 3.15Å; D239-A241 VanDerWaalsContact C-N 3.3Å; D239-A241 PolarHBondContact O-N 3.3Å; A241-A243 VanDerWaalsContact C-N 3.28Å; A241-A243 PolarHBondContact O-N 3.13Å; A241-E244 PolarHBondContact O-N 2.95Å; A241-L245 WeakPolarHBondContact O-CB 3.45Å; A241-L245 PolarHBondContact O-N 3.37Å; A241-L245 VanDerWaalsContact O-N 3.16Å; A241-M260 HydrophobicContact CB-CE 3.98Å; A241-M260 HydrophobicContact CB-CG 4.27Å; A241-M260 HydrophobicContact CB-SD 3.89Å |
| 242 | I | 95.9 | Very high | 93.1 | Very high | 87 Ų | 87 | 71 Ų | 71 | 45% | 0.446 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 172.7 | -80.9 | -177.7 | 0 | 0 | 0 | 111 | F238 D239 E244 L245 M260 | F238-I242 HydrophobicContact CD1-CD1 3.67Å; F238-I242 HydrophobicContact CD1-CG1 4.36Å; F238-I242 HydrophobicContact CE1-CD1 3.13Å; F238-I242 HydrophobicContact CE1-CG1 4.13Å; F238-I242 HydrophobicContact CZ-CD1 3.64Å; F238-I242 HydrophobicContact CZ-CG1 4.43Å; F238-I242 PolarHBondContact O-N 3.26Å; D239-I242 PolarHBondContact O-N 2.78Å; I242-E244 PolarHBondContact O-N 3.22Å; I242-E244 VanDerWaalsContact O-N 3.16Å; I242-L245 PolarHBondContact O-N 3.47Å; I242-M260 HydrophobicContact CB-CE 4.43Å; I242-M260 HydrophobicContact CD1-CE 4.46Å; I242-M260 HydrophobicContact CG1-CE 3.46Å; I242-M260 VanDerWaalsContact CG1-CE 3.46Å |
| 243 | A | 95.6 | Very high | 92.7 | Very high | 75 Ų | 75 | 69.4 Ų | 69.4 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -20.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | D239 A241 | D239-A243 PolarHBondContact O-N 3.05Å; D239-A243 VanDerWaalsContact O-N 3.15Å; A241-A243 VanDerWaalsContact C-N 3.28Å; A241-A243 PolarHBondContact O-N 3.13Å |
| 244 | E | 94.3 | Very high | 92.4 | Very high | 65 Ų | 65 | 73.6 Ų | 73.6 | 30% | 0.304 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 10.5 | -177.6 | -60.9 | -175.7 | -155.5 | 0 | 0 | 113 | Q203 P204 T205 A241 I242 D246 T247 | Q203-E244 PolarHBondContact OE1-OE2 3.47Å; P204-E244 WeakPolarHBondContact CD-OE2 3.45Å; T205-E244 HydrophobicContact CG2-CB 4.11Å; A241-E244 PolarHBondContact O-N 2.95Å; I242-E244 PolarHBondContact O-N 3.22Å; I242-E244 VanDerWaalsContact O-N 3.16Å; E244-D246 VanDerWaalsContact C-N 3.27Å; E244-D246 PolarHBondContact O-N 3.06Å; E244-T247 WeakPolarHBondContact O-CB 3.44Å; E244-T247 PolarHBondContact O-N 3.36Å; E244-T247 VanDerWaalsContact O-N 3.15Å; E244-T247 PolarHBondContact O-OG1 3Å |
| 245 | L | 91.3 | Very high | 92.1 | Very high | 33 Ų | 33 | 78.1 Ų | 78.1 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -65.5 | -30.1 | -171.5 | -166.6 | 69.6 | 0 | 0 | 0 | 113.2 | A241 I242 T247 L248 Y253 T257 M260 | A241-L245 WeakPolarHBondContact O-CB 3.45Å; A241-L245 PolarHBondContact O-N 3.37Å; A241-L245 VanDerWaalsContact O-N 3.16Å; I242-L245 PolarHBondContact O-N 3.47Å; L245-T247 PolarHBondContact O-N 2.99Å; L245-L248 HydrophobicContact CD1-CD1 3.83Å; L245-L248 PolarHBondContact O-N 3.31Å; L245-Y253 HydrophobicContact CD1-CD2 4.31Å; L245-Y253 HydrophobicContact CD1-CE2 4.23Å; L245-Y253 HydrophobicContact CD2-CE2 3.88Å; L245-Y253 HydrophobicContact CG-CD2 4.18Å; L245-Y253 HydrophobicContact CG-CE2 3.73Å; L245-T257 HydrophobicContact CD1-CG2 4.11Å; L245-T257 HydrophobicContact CD2-CG2 4.26Å; L245-M260 HydrophobicContact CD1-CE 4.39Å; L245-M260 HydrophobicContact CD1-SD 3.8Å |
| 246 | D | 90.2 | Very high | 91.9 | Very high | 142 Ų | 142 | 72.3 Ų | 72.3 | 76% | 0.759 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -68.3 | -13.2 | 178.2 | 63.3 | -36.8 | 0 | 0 | 0 | 113.5 | E244 | E244-D246 VanDerWaalsContact C-N 3.27Å; E244-D246 PolarHBondContact O-N 3.06Å |
| 247 | T | 87.2 | Confident | 91.8 | Very high | 96 Ų | 96 | 69.8 Ų | 69.8 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -86.6 | -7.6 | -179.9 | 71.5 | 0 | 0 | 0 | 0 | 114 | E244 L245 | E244-T247 WeakPolarHBondContact O-CB 3.44Å; E244-T247 PolarHBondContact O-N 3.36Å; E244-T247 VanDerWaalsContact O-N 3.15Å; E244-T247 PolarHBondContact O-OG1 3Å; L245-T247 PolarHBondContact O-N 2.99Å |
| 248 | L | 88 | Confident | 91.6 | Very high | 42 Ų | 42 | 74.4 Ų | 74.4 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | trans | -81.9 | 147.9 | -172.6 | -68.8 | -179.3 | 0 | 0 | 0 | 113.9 | T205 L245 Y253 | T205-L248 HydrophobicContact CG2-CD1 4.09Å; T205-L248 HydrophobicContact CG2-CD2 4.44Å; T205-L248 HydrophobicContact CG2-CG 4.25Å; T205-L248 WeakPolarHBondContact OG1-CD2 3.38Å; L245-L248 HydrophobicContact CD1-CD1 3.83Å; L245-L248 PolarHBondContact O-N 3.31Å; L248-Y253 HydrophobicContact CB-CD2 4.38Å; L248-Y253 HydrophobicContact CD1-CD2 4.48Å | ||
| 249 | N | 87.1 | Confident | 91.5 | Very high | 99 Ų | 99 | 73.9 Ų | 73.9 | 53% | 0.529 | 39% | 0.392 | S | S | . | . | trans | -75.6 | 165 | 163.4 | 65.5 | 38.5 | 0 | 0 | 0 | 111.4 | D251 S252 Y253 | N249-D251 PolarHBondContact O-N 2.89Å; N249-S252 PolarHBondContact O-N 3.16Å; N249-S252 WeakPolarHBondContact OD1-CB 3.43Å; N249-S252 PolarHBondContact OD1-N 2.85Å; N249-S252 PolarHBondContact OD1-OG 3.27Å; N249-Y253 WeakPolarHBondContact O-CB 3.37Å; N249-Y253 PolarHBondContact O-N 3.17Å | ||
| 250 | E | 83.4 | Confident | 91.5 | Very high | 135 Ų | 135 | 70.8 Ų | 70.8 | 63% | 0.631 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59 | -42.4 | -172.2 | -165.2 | -173.5 | 155.2 | 0 | 0 | 113.7 | Y253 K254 | E250-Y253 WeakPolarHBondContact O-CB 3.38Å; E250-Y253 PolarHBondContact O-N 3.43Å; E250-K254 PolarHBondContact O-N 3.13Å; E250-K254 WeakPolarHBondContact OE1-CE 3.48Å; E250-K254 IonicContact OE1-NZ 2.86Å; E250-K254 PolarHBondContact OE1-NZ 3.12Å |
| 251 | D | 80.5 | Confident | 91.5 | Very high | 119 Ų | 119 | 71.5 Ų | 71.5 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.8 | -46.6 | -178.2 | -68.1 | -24.9 | 0 | 0 | 0 | 111.3 | N249 Y253 K254 D255 | N249-D251 PolarHBondContact O-N 2.89Å; D251-Y253 VanDerWaalsContact C-N 3.26Å; D251-Y253 PolarHBondContact O-N 3.07Å; D251-K254 PolarHBondContact O-N 3.27Å; D251-D255 PolarHBondContact O-N 3.5Å |
| 252 | S | 84.6 | Confident | 91.5 | Very high | 39 Ų | 39 | 75.3 Ų | 75.3 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.3 | -32.3 | 177.2 | -52 | 0 | 0 | 0 | 0 | 111.5 | N249 S256 | N249-S252 PolarHBondContact O-N 3.16Å; N249-S252 WeakPolarHBondContact OD1-CB 3.43Å; N249-S252 PolarHBondContact OD1-N 2.85Å; N249-S252 PolarHBondContact OD1-OG 3.27Å; S252-S256 VanDerWaalsContact O-CB 3.24Å; S252-S256 WeakPolarHBondContact O-CB 3.24Å; S252-S256 PolarHBondContact O-N 3.03Å; S252-S256 PolarHBondContact O-OG 3.37Å |
| 253 | Y | 90.2 | Very high | 91.5 | Very high | 108 Ų | 108 | 71.2 Ų | 71.2 | 42% | 0.424 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 177.4 | -175.8 | -87.6 | 0 | 0 | 0 | 111.6 | L245 L248 N249 E250 D251 S256 T257 | L245-Y253 HydrophobicContact CD1-CD2 4.31Å; L245-Y253 HydrophobicContact CD1-CE2 4.23Å; L245-Y253 HydrophobicContact CD2-CE2 3.88Å; L245-Y253 HydrophobicContact CG-CD2 4.18Å; L245-Y253 HydrophobicContact CG-CE2 3.73Å; L248-Y253 HydrophobicContact CB-CD2 4.38Å; L248-Y253 HydrophobicContact CD1-CD2 4.48Å; N249-Y253 WeakPolarHBondContact O-CB 3.37Å; N249-Y253 PolarHBondContact O-N 3.17Å; E250-Y253 WeakPolarHBondContact O-CB 3.38Å; E250-Y253 PolarHBondContact O-N 3.43Å; D251-Y253 VanDerWaalsContact C-N 3.26Å; D251-Y253 PolarHBondContact O-N 3.07Å; Y253-S256 PolarHBondContact O-N 3.22Å; Y253-T257 HydrophobicContact CD1-CG2 4.05Å; Y253-T257 HydrophobicContact CD2-CG2 4.43Å; Y253-T257 HydrophobicContact CE1-CG2 3.72Å; Y253-T257 HydrophobicContact CE2-CG2 4.15Å; Y253-T257 HydrophobicContact CG-CG2 4.38Å; Y253-T257 WeakPolarHBondContact O-CB 3.35Å; Y253-T257 VanDerWaalsContact O-CG2 3.28Å; Y253-T257 WeakPolarHBondContact O-CG2 3.41Å; Y253-T257 PolarHBondContact O-N 3.1Å; Y253-T257 PolarHBondContact O-OG1 3.38Å |
| 254 | K | 91.4 | Very high | 91.6 | Very high | 112 Ų | 112 | 73.3 Ų | 73.3 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 179.3 | -72.4 | 172.2 | -173.8 | 157.3 | 0 | 111.7 | E250 D251 S256 T257 L258 | E250-K254 PolarHBondContact O-N 3.13Å; E250-K254 WeakPolarHBondContact OE1-CE 3.48Å; E250-K254 IonicContact OE1-NZ 2.86Å; E250-K254 PolarHBondContact OE1-NZ 3.12Å; D251-K254 PolarHBondContact O-N 3.27Å; K254-S256 PolarHBondContact O-N 3.41Å; K254-T257 PolarHBondContact O-OG1 2.86Å; K254-T257 VanDerWaalsContact O-OG1 3.12Å; K254-L258 WeakPolarHBondContact O-CB 3.38Å; K254-L258 PolarHBondContact O-N 2.88Å; K254-L258 VanDerWaalsContact O-N 3.11Å |
| 255 | D | 90.9 | Very high | 91.8 | Very high | 95 Ų | 95 | 73.6 Ų | 73.6 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | -179.5 | -73.4 | -11.7 | 0 | 0 | 0 | 112.1 | P207 D251 I259 | P207-D255 HydrophobicContact CB-CB 4.27Å; P207-D255 HydrophobicContact CG-CB 3.81Å; D251-D255 PolarHBondContact O-N 3.5Å; D255-I259 WeakPolarHBondContact O-CG1 3.45Å; D255-I259 PolarHBondContact O-N 3.45Å |
| 256 | S | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.7 | -45.9 | -178.3 | -52.3 | 0 | 0 | 0 | 0 | 111.4 | T205 S252 Y253 K254 L258 I259 M260 | T205-S256 WeakPolarHBondContact O-CB 3.44Å; T205-S256 PolarHBondContact O-OG 3.32Å; S252-S256 VanDerWaalsContact O-CB 3.24Å; S252-S256 WeakPolarHBondContact O-CB 3.24Å; S252-S256 PolarHBondContact O-N 3.03Å; S252-S256 PolarHBondContact O-OG 3.37Å; Y253-S256 PolarHBondContact O-N 3.22Å; K254-S256 PolarHBondContact O-N 3.41Å; S256-L258 VanDerWaalsContact C-N 3.32Å; S256-L258 PolarHBondContact O-N 3.04Å; S256-I259 PolarHBondContact O-N 3.15Å; S256-M260 VanDerWaalsContact O-CG 3.25Å; S256-M260 WeakPolarHBondContact O-CG 3.46Å; S256-M260 PolarHBondContact O-N 2.86Å |
| 257 | T | 95.4 | Very high | 92.2 | Very high | 43 Ų | 43 | 68.3 Ų | 68.3 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 179.3 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | L245 Y253 K254 I259 M260 Q261 | L245-T257 HydrophobicContact CD1-CG2 4.11Å; L245-T257 HydrophobicContact CD2-CG2 4.26Å; Y253-T257 HydrophobicContact CD1-CG2 4.05Å; Y253-T257 HydrophobicContact CD2-CG2 4.43Å; Y253-T257 HydrophobicContact CE1-CG2 3.72Å; Y253-T257 HydrophobicContact CE2-CG2 4.15Å; Y253-T257 HydrophobicContact CG-CG2 4.38Å; Y253-T257 WeakPolarHBondContact O-CB 3.35Å; Y253-T257 VanDerWaalsContact O-CG2 3.28Å; Y253-T257 WeakPolarHBondContact O-CG2 3.41Å; Y253-T257 PolarHBondContact O-N 3.1Å; Y253-T257 PolarHBondContact O-OG1 3.38Å; K254-T257 PolarHBondContact O-OG1 2.86Å; K254-T257 VanDerWaalsContact O-OG1 3.12Å; T257-I259 PolarHBondContact O-N 3Å; T257-M260 PolarHBondContact O-N 3Å; T257-Q261 WeakPolarHBondContact O-CB 3.14Å; T257-Q261 PolarHBondContact O-N 3.49Å |
| 258 | L | 94.2 | Very high | 92.6 | Very high | 112 Ų | 112 | 67.5 Ų | 67.5 | 59% | 0.586 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 173.1 | -178.2 | 62.8 | 0 | 0 | 0 | 111.9 | K254 S256 Q261 L262 | K254-L258 WeakPolarHBondContact O-CB 3.38Å; K254-L258 PolarHBondContact O-N 2.88Å; K254-L258 VanDerWaalsContact O-N 3.11Å; S256-L258 VanDerWaalsContact C-N 3.32Å; S256-L258 PolarHBondContact O-N 3.04Å; L258-Q261 WeakPolarHBondContact O-CB 3.46Å; L258-Q261 PolarHBondContact O-N 3.42Å; L258-L262 PolarHBondContact O-N 2.85Å |
| 259 | I | 95.7 | Very high | 92.9 | Very high | 29 Ų | 29 | 69.9 Ų | 69.9 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.9 | -38.4 | 179.1 | -58.2 | 166.5 | 0 | 0 | 0 | 111.1 | P207 L210 L214 D255 S256 T257 Q261 L262 L263 | P207-I259 HydrophobicContact CB-CD1 3.87Å; P207-I259 WeakPolarHBondContact O-CD1 3.49Å; L210-I259 HydrophobicContact CB-CB 4.15Å; L210-I259 HydrophobicContact CB-CD1 4.37Å; L210-I259 HydrophobicContact CB-CG2 3.65Å; L214-I259 HydrophobicContact CD2-CG2 4.26Å; D255-I259 WeakPolarHBondContact O-CG1 3.45Å; D255-I259 PolarHBondContact O-N 3.45Å; S256-I259 PolarHBondContact O-N 3.15Å; T257-I259 PolarHBondContact O-N 3Å; I259-Q261 PolarHBondContact O-N 3.27Å; I259-L262 WeakPolarHBondContact O-CB 3.37Å; I259-L262 PolarHBondContact O-N 3.25Å; I259-L262 VanDerWaalsContact O-N 3.13Å; I259-L263 PolarHBondContact O-N 3.38Å |
| 260 | M | 97.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 65.5 Ų | 65.5 | 4% | 0.044 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.1 | -36.8 | 173.5 | -70.3 | 169.3 | 71.5 | 0 | 0 | 111.7 | L210 F238 A241 I242 L245 S256 T257 L263 R264 | L210-M260 HydrophobicContact CD1-CG 4.04Å; L210-M260 HydrophobicContact CD2-CG 4.24Å; F238-M260 HydrophobicContact CD2-CB 4.02Å; F238-M260 HydrophobicContact CD2-CE 4.4Å; F238-M260 HydrophobicContact CD2-CG 4.5Å; F238-M260 WeakPolarHBondContact CD2-O 3.44Å; F238-M260 HydrophobicContact CE2-CB 3.96Å; F238-M260 HydrophobicContact CE2-CE 4.31Å; F238-M260 WeakPolarHBondContact CE2-O 3.29Å; A241-M260 HydrophobicContact CB-CE 3.98Å; A241-M260 HydrophobicContact CB-CG 4.27Å; A241-M260 HydrophobicContact CB-SD 3.89Å; I242-M260 HydrophobicContact CB-CE 4.43Å; I242-M260 HydrophobicContact CD1-CE 4.46Å; I242-M260 HydrophobicContact CG1-CE 3.46Å; I242-M260 VanDerWaalsContact CG1-CE 3.46Å; L245-M260 HydrophobicContact CD1-CE 4.39Å; L245-M260 HydrophobicContact CD1-SD 3.8Å; S256-M260 VanDerWaalsContact O-CG 3.25Å; S256-M260 WeakPolarHBondContact O-CG 3.46Å; S256-M260 PolarHBondContact O-N 2.86Å; T257-M260 PolarHBondContact O-N 3Å; M260-L263 WeakPolarHBondContact O-CB 3.25Å; M260-L263 PolarHBondContact O-N 3.03Å; M260-R264 PolarHBondContact O-N 2.91Å |
| 261 | Q | 97.2 | Very high | 93.6 | Very high | 62 Ų | 62 | 62.9 Ų | 62.9 | 29% | 0.29 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 173.6 | -179.6 | 54.7 | 41.2 | 0 | 0 | 111.4 | T257 L258 I259 L263 R264 D265 | T257-Q261 WeakPolarHBondContact O-CB 3.14Å; T257-Q261 PolarHBondContact O-N 3.49Å; L258-Q261 WeakPolarHBondContact O-CB 3.46Å; L258-Q261 PolarHBondContact O-N 3.42Å; I259-Q261 PolarHBondContact O-N 3.27Å; Q261-L263 PolarHBondContact O-N 3Å; Q261-R264 WeakPolarHBondContact O-CB 3.46Å; Q261-R264 PolarHBondContact O-N 3.07Å; Q261-D265 PolarHBondContact NE2-OD1 2.87Å; Q261-D265 PolarHBondContact NE2-OD2 2.93Å; Q261-D265 PolarHBondContact O-N 2.66Å |
| 262 | L | 95.9 | Very high | 93.9 | Very high | 80 Ų | 80 | 61.1 Ų | 61.1 | 42% | 0.419 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 176.4 | -63.6 | 173.5 | 0 | 0 | 0 | 112.6 | L214 L258 I259 R264 D265 N266 | L214-L262 HydrophobicContact CD1-CB 4.16Å; L214-L262 HydrophobicContact CD2-CB 3.88Å; L214-L262 HydrophobicContact CD2-CD1 3.91Å; L258-L262 PolarHBondContact O-N 2.85Å; I259-L262 WeakPolarHBondContact O-CB 3.37Å; I259-L262 PolarHBondContact O-N 3.25Å; I259-L262 VanDerWaalsContact O-N 3.13Å; L262-R264 VanDerWaalsContact C-N 3.34Å; L262-D265 PolarHBondContact O-N 3.36Å; L262-N266 PolarHBondContact O-N 3.02Å |
| 263 | L | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 173.6 | -77.2 | 168.5 | 0 | 0 | 0 | 111.5 | L210 L214 A234 A237 F238 I259 M260 Q261 N266 L267 | L210-L263 HydrophobicContact CD2-CD1 4.09Å; L214-L263 HydrophobicContact CB-CD2 3.93Å; L214-L263 HydrophobicContact CB-CG 4.3Å; L214-L263 HydrophobicContact CD1-CD2 3.88Å; L214-L263 HydrophobicContact CD1-CG 4.15Å; A234-L263 HydrophobicContact CB-CD2 3.89Å; A237-L263 HydrophobicContact CB-CD1 4.25Å; F238-L263 HydrophobicContact CD2-CB 4.41Å; I259-L263 PolarHBondContact O-N 3.38Å; M260-L263 WeakPolarHBondContact O-CB 3.25Å; M260-L263 PolarHBondContact O-N 3.03Å; Q261-L263 PolarHBondContact O-N 3Å; L263-N266 PolarHBondContact O-N 3.46Å; L263-L267 WeakPolarHBondContact O-CG 3.35Å; L263-L267 PolarHBondContact O-N 3.36Å |
| 264 | R | 97.2 | Very high | 92.6 | Very high | 120 Ų | 120 | 60.8 Ų | 60.8 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 177.7 | -173 | -175.1 | 75 | -175.7 | 6 | 112.2 | F238 M260 Q261 L262 L267 T268 | F238-R264 HydrophobicContact CE2-CB 4Å; F238-R264 HydrophobicContact CZ-CB 4.43Å; M260-R264 PolarHBondContact O-N 2.91Å; Q261-R264 WeakPolarHBondContact O-CB 3.46Å; Q261-R264 PolarHBondContact O-N 3.07Å; L262-R264 VanDerWaalsContact C-N 3.34Å; R264-L267 PolarHBondContact O-N 3.48Å; R264-T268 PolarHBondContact O-N 2.73Å; R264-T268 PolarHBondContact O-OG1 3.22Å |
| 265 | D | 97.3 | Very high | 91.2 | Very high | 70 Ų | 70 | 58.7 Ų | 58.7 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | -179.3 | -65.3 | -14.9 | 0 | 0 | 0 | 110.4 | Q261 L262 T268 L269 | Q261-D265 PolarHBondContact NE2-OD1 2.87Å; Q261-D265 PolarHBondContact NE2-OD2 2.93Å; Q261-D265 PolarHBondContact O-N 2.66Å; L262-D265 PolarHBondContact O-N 3.36Å; D265-T268 PolarHBondContact O-N 3.32Å; D265-L269 PolarHBondContact O-N 2.64Å |
| 266 | N | 95.1 | Very high | 89.4 | Confident | 37 Ų | 37 | 57 Ų | 57 | 20% | 0.198 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | 172.7 | -78.3 | 1.9 | 0 | 0 | 0 | 112.5 | L214 V218 L262 L263 T268 L269 W270 | L214-N266 WeakPolarHBondContact CD1-ND2 3.31Å; V218-N266 WeakPolarHBondContact CG2-ND2 3.19Å; L262-N266 PolarHBondContact O-N 3.02Å; L263-N266 PolarHBondContact O-N 3.46Å; N266-T268 VanDerWaalsContact C-N 3.28Å; N266-T268 PolarHBondContact O-N 3.5Å; N266-L269 PolarHBondContact O-N 3.01Å; N266-W270 HydrophobicContact CB-CD2 4.22Å; N266-W270 HydrophobicContact CB-CE3 4.2Å; N266-W270 HydrophobicContact CB-CH2 3.75Å; N266-W270 HydrophobicContact CB-CZ2 3.74Å; N266-W270 HydrophobicContact CB-CZ3 3.98Å; N266-W270 WeakPolarHBondContact O-CB 3.46Å; N266-W270 VanDerWaalsContact O-CD2 3.25Å; N266-W270 PolarHBondContact O-N 3.27Å |
| 267 | L | 96.3 | Very high | 87.4 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59 | -41.3 | 177.4 | -78.1 | 168.4 | 0 | 0 | 0 | 112 | C231 A234 K235 L263 R264 T271 | C231-L267 HydrophobicContact CB-CD2 4.17Å; A234-L267 HydrophobicContact CB-CD1 4.28Å; A234-L267 HydrophobicContact CB-CD2 3.89Å; A234-L267 HydrophobicContact CB-CG 3.94Å; K235-L267 HydrophobicContact CB-CD1 4.29Å; K235-L267 HydrophobicContact CB-CD2 4.29Å; L263-L267 WeakPolarHBondContact O-CG 3.35Å; L263-L267 PolarHBondContact O-N 3.36Å; R264-L267 PolarHBondContact O-N 3.48Å; L267-T271 WeakPolarHBondContact O-CB 3.34Å; L267-T271 VanDerWaalsContact O-CG2 3.25Å; L267-T271 WeakPolarHBondContact O-CG2 3.43Å; L267-T271 PolarHBondContact O-N 3.06Å; L267-T271 PolarHBondContact O-OG1 3.49Å |
| 268 | T | 95.6 | Very high | 85.2 | Confident | 78 Ų | 78 | 70.9 Ų | 70.9 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.2 | -50.5 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 110.2 | R264 D265 N266 W270 T271 T272 | R264-T268 PolarHBondContact O-N 2.73Å; R264-T268 PolarHBondContact O-OG1 3.22Å; D265-T268 PolarHBondContact O-N 3.32Å; N266-T268 VanDerWaalsContact C-N 3.28Å; N266-T268 PolarHBondContact O-N 3.5Å; T268-W270 PolarHBondContact O-N 3.32Å; T268-T271 PolarHBondContact O-N 3.46Å; T268-T271 PolarHBondContact O-OG1 3.16Å; T268-T271 VanDerWaalsContact O-OG1 3.12Å; T268-T272 WeakPolarHBondContact O-CG2 3.46Å; T268-T272 PolarHBondContact O-N 3.28Å; T268-T272 VanDerWaalsContact O-N 3.12Å; T268-T272 PolarHBondContact O-OG1 3.32Å; T268-T272 VanDerWaalsContact O-OG1 3.1Å |
| 269 | L | 94.3 | Very high | 82.7 | Confident | 92 Ų | 92 | 68.7 Ų | 68.7 | 48% | 0.482 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 179.4 | -176.3 | 68.4 | 0 | 0 | 0 | 112.1 | D265 N266 T271 T272 D273 | D265-L269 PolarHBondContact O-N 2.64Å; N266-L269 PolarHBondContact O-N 3.01Å; L269-T271 PolarHBondContact O-N 2.82Å; L269-T272 PolarHBondContact O-N 3.44Å; L269-T272 PolarHBondContact O-OG1 3.12Å; L269-D273 PolarHBondContact O-N 3.29Å |
| 270 | W | 94.6 | Very high | 80.2 | Confident | 7 Ų | 7 | 74.9 Ų | 74.9 | 3% | 0.027 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -71.1 | -31.6 | -174.8 | -58.9 | -24.4 | 0 | 0 | 0 | 113.4 | V218 Y221 A230 A234 N266 T268 N274 | V218-W270 HydrophobicContact CG2-CH2 4.14Å; V218-W270 HydrophobicContact CG2-CZ2 4.03Å; Y221-W270 AromaticContact CD1-NE1 3.61Å; Y221-W270 HydrophobicContact CD2-CB 4.16Å; Y221-W270 AromaticContact CD2-CD1 3.62Å; Y221-W270 AromaticContact CD2-CD2 3.68Å; Y221-W270 HydrophobicContact CD2-CD2 3.68Å; Y221-W270 AromaticContact CD2-CE2 3.81Å; Y221-W270 HydrophobicContact CD2-CE3 4.35Å; Y221-W270 AromaticContact CD2-CG 3.57Å; Y221-W270 HydrophobicContact CD2-CG 3.57Å; Y221-W270 AromaticContact CD2-NE1 3.75Å; Y221-W270 AromaticContact CE1-CD1 3.7Å; Y221-W270 AromaticContact CE1-NE1 3.69Å; Y221-W270 HydrophobicContact CE2-CB 3.69Å; Y221-W270 AromaticContact CE2-CD1 3.29Å; Y221-W270 HydrophobicContact CE2-CD2 4.05Å; Y221-W270 AromaticContact CE2-CG 3.4Å; Y221-W270 HydrophobicContact CE2-CG 3.4Å; Y221-W270 AromaticContact CE2-NE1 3.85Å; Y221-W270 AromaticContact CG-CD1 3.98Å; Y221-W270 HydrophobicContact CG-CD2 4.1Å; Y221-W270 AromaticContact CG-CE2 3.72Å; Y221-W270 HydrophobicContact CG-CG 4.25Å; Y221-W270 HydrophobicContact CG-CZ2 4.15Å; Y221-W270 AromaticContact CG-NE1 3.64Å; Y221-W270 AromaticContact CZ-CD1 3.33Å; Y221-W270 AromaticContact CZ-CG 3.94Å; Y221-W270 AromaticContact CZ-NE1 3.82Å; A230-W270 HydrophobicContact CB-CE3 4.2Å; A230-W270 HydrophobicContact CB-CH2 4.38Å; A230-W270 HydrophobicContact CB-CZ3 3.91Å; A234-W270 HydrophobicContact CB-CZ3 4.23Å; N266-W270 HydrophobicContact CB-CD2 4.22Å; N266-W270 HydrophobicContact CB-CE3 4.2Å; N266-W270 HydrophobicContact CB-CH2 3.75Å; N266-W270 HydrophobicContact CB-CZ2 3.74Å; N266-W270 HydrophobicContact CB-CZ3 3.98Å; N266-W270 WeakPolarHBondContact O-CB 3.46Å; N266-W270 VanDerWaalsContact O-CD2 3.25Å; N266-W270 PolarHBondContact O-N 3.27Å; T268-W270 PolarHBondContact O-N 3.32Å; W270-N274 PolarHBondContact O-N 3.43Å; W270-N274 PolarHBondContact O-OD1 3.15Å |
| 271 | T | 89.9 | Confident | 77.3 | Confident | 80 Ų | 80 | 77.9 Ų | 77.9 | 49% | 0.491 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75.4 | -30.8 | 175.6 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | L267 T268 L269 A275 | L267-T271 WeakPolarHBondContact O-CB 3.34Å; L267-T271 VanDerWaalsContact O-CG2 3.25Å; L267-T271 WeakPolarHBondContact O-CG2 3.43Å; L267-T271 PolarHBondContact O-N 3.06Å; L267-T271 PolarHBondContact O-OG1 3.49Å; T268-T271 PolarHBondContact O-N 3.46Å; T268-T271 PolarHBondContact O-OG1 3.16Å; T268-T271 VanDerWaalsContact O-OG1 3.12Å; L269-T271 PolarHBondContact O-N 2.82Å; T271-A275 WeakPolarHBondContact O-CB 3.39Å; T271-A275 PolarHBondContact O-N 3.1Å |
| 272 | T | 87.1 | Confident | 74.5 | Confident | 82 Ų | 82 | 78.2 Ų | 78.2 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.8 | -38.5 | 173.8 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | T268 L269 A275 | T268-T272 WeakPolarHBondContact O-CG2 3.46Å; T268-T272 PolarHBondContact O-N 3.28Å; T268-T272 VanDerWaalsContact O-N 3.12Å; T268-T272 PolarHBondContact O-OG1 3.32Å; T268-T272 VanDerWaalsContact O-OG1 3.1Å; L269-T272 PolarHBondContact O-N 3.44Å; L269-T272 PolarHBondContact O-OG1 3.12Å; T272-A275 PolarHBondContact O-N 3.03Å |
| 273 | D | 77.6 | Confident | 71.6 | Confident | 82 Ų | 82 | 77.7 Ų | 77.7 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 179.2 | -71.2 | -12.8 | 0 | 0 | 0 | 111.1 | L269 A275 G276 | L269-D273 PolarHBondContact O-N 3.29Å; D273-A275 VanDerWaalsContact C-N 3.34Å; D273-A275 PolarHBondContact O-N 3.12Å; D273-G276 PolarHBondContact O-N 3.45Å |
| 274 | N | 68.9 | Low | 68.8 | Low | 58 Ų | 58 | 86.8 Ų | 86.8 | 31% | 0.31 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.9 | -28.5 | 178.7 | -74.3 | 16.3 | 0 | 0 | 0 | 113.3 | W270 G276 D277 | W270-N274 PolarHBondContact O-N 3.43Å; W270-N274 PolarHBondContact O-OD1 3.15Å; N274-G276 PolarHBondContact O-N 3.35Å; N274-D277 PolarHBondContact O-N 3.39Å |
| 275 | A | 61.7 | Low | 66.3 | Low | 69 Ų | 69 | 89.9 Ų | 89.9 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.7 | -17.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T271 T272 D273 | T271-A275 WeakPolarHBondContact O-CB 3.39Å; T271-A275 PolarHBondContact O-N 3.1Å; T272-A275 PolarHBondContact O-N 3.03Å; D273-A275 VanDerWaalsContact C-N 3.34Å; D273-A275 PolarHBondContact O-N 3.12Å |
| 276 | G | 54.2 | Low | 63.8 | Low | 59 Ų | 59 | 94.1 Ų | 94.1 | 61% | 0.608 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.6 | -27.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D273 N274 | D273-G276 PolarHBondContact O-N 3.45Å; N274-G276 PolarHBondContact O-N 3.35Å |
| 277 | D | 53.1 | Low | 61.5 | Low | 155 Ų | 155 | 96.4 Ų | 96.4 | 83% | 0.829 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -85.5 | -17.1 | -177 | -96.2 | -7 | 0 | 0 | 0 | 113.5 | N274 G279 | N274-D277 PolarHBondContact O-N 3.39Å; D277-G279 VanDerWaalsContact C-N 3.28Å; D277-G279 PolarHBondContact O-N 3.41Å |
| 278 | E | 48.1 | Very low | 59.2 | Low | 179 Ų | 179 | 101.1 Ų | 101.1 | 84% | 0.836 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 7.6 | 178.5 | -64.8 | -168 | 160 | 0 | 0 | 113.8 | ||
| 279 | G | 42.2 | Very low | 56.8 | Low | 66 Ų | 66 | 104.1 Ų | 104.1 | 68% | 0.68 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -6.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | D277 | D277-G279 VanDerWaalsContact C-N 3.28Å; D277-G279 PolarHBondContact O-N 3.41Å |
| 280 | D | 42.2 | Very low | 54.9 | Low | 159 Ų | 159 | 103.4 Ų | 103.4 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | trans | -115 | 44.4 | -177.6 | -158.6 | 21 | 0 | 0 | 0 | 113.3 | G282 | D280-G282 VanDerWaalsContact C-N 3.29Å; D280-G282 PolarHBondContact O-N 3.47Å | ||
| 281 | G | 37.5 | Very low | 52.3 | Low | 73 Ų | 73 | 116 Ų | 116 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | trans | -92.7 | 57.4 | 163 | 0 | 0 | 0 | 0 | 0 | 110.6 | G283 | G281-G283 PolarHBondContact O-N 3Š| ||
| 282 | G | 38 | Very low | 50.4 | Low | 68 Ų | 68 | 117.8 Ų | 117.8 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -57.4 | 104.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D280 E284 | D280-G282 VanDerWaalsContact C-N 3.29Å; D280-G282 PolarHBondContact O-N 3.47Å; G282-E284 PolarHBondContact O-N 2.97Å | ||
| 283 | G | 34.6 | Very low | 48.5 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -60.7 | 104 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G281 Q285 | G281-G283 PolarHBondContact O-N 3Å; G283-Q285 VanDerWaalsContact C-N 3.26Å; G283-Q285 PolarHBondContact O-N 2.98Å | ||
| 284 | E | 38.6 | Very low | 46.9 | Very low | 190 Ų | 190 | 121.7 Ų | 121.7 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -69.1 | 90.1 | 160.3 | -137 | 168.3 | -176.3 | 0 | 0 | 106.7 | G282 D286 | G282-E284 PolarHBondContact O-N 2.97Å; E284-D286 PolarHBondContact O-N 3.27Å | ||
| 285 | Q | 45 | Very low | 45.6 | Very low | 185 Ų | 185 | 125.5 Ų | 125.5 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -73.1 | 108.6 | 166 | -77.5 | -179.2 | 10.5 | 0 | 0 | 107.6 | G283 A287 | G283-Q285 VanDerWaalsContact C-N 3.26Å; G283-Q285 PolarHBondContact O-N 2.98Å; Q285-A287 PolarHBondContact O-N 3.26Å; Q285-A287 VanDerWaalsContact O-N 3.12Å | ||
| 286 | D | 44.9 | Very low | 44.6 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -43.3 | 114 | 167.9 | -80.7 | -43.1 | 0 | 0 | 0 | 111.1 | E284 | E284-D286 PolarHBondContact O-N 3.27Š| ||
| 287 | A | 46.7 | Very low | 43.9 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | -73.3 | 130.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q285 T289 | Q285-A287 PolarHBondContact O-N 3.26Å; Q285-A287 VanDerWaalsContact O-N 3.12Å; A287-T289 PolarHBondContact O-N 3.12Å | ||
| 288 | P | 48.2 | Very low | 43.3 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -73.9 | 119.9 | -179.8 | 28.6 | -30.3 | 0 | 0 | 0 | 109.6 | G290 | P288-G290 PolarHBondContact O-N 3.07Å; P288-G290 VanDerWaalsContact O-N 3.07Å | ||
| 289 | T | 46 | Very low | 42.9 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 87% | 0.871 | 83% | 0.828 | S | S | * | * | trans | -66.7 | 102 | 165.4 | 42.4 | 0 | 0 | 0 | 0 | 109.4 | A287 | A287-T289 PolarHBondContact O-N 3.12Š| ||
| 290 | G | 53.8 | Low | 43 | Very low | 76 Ų | 76 | 133.8 Ų | 133.8 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | trans | -79.1 | 127 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P288 | P288-G290 PolarHBondContact O-N 3.07Å; P288-G290 VanDerWaalsContact O-N 3.07Å | ||
| 291 | Q | 40.3 | Very low | 43 | Very low | 271 Ų | 271 | 131.5 Ų | 131.5 | 100% | 1.266 | 84% | 0.839 | S | S | * | * | trans | -70.1 | 0 | 163.5 | -72.5 | 175 | -25.3 | 0 | 0 | 111.6 |
Retrieved 291 of 291 residues in 265.9 ms
(Link to these results)