| 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 | 64.9 | Low | 91.4 | Very high | 168 Ų | 168 | 103.7 Ų | 103.7 | 83% | 0.828 | 53% | 0.53 | S | S | * | . | 0 | 125.9 | 0 | -80.3 | 173 | 40.9 | 0 | 0 | 109.9 | K6 | M1-K6 HydrophobicContact CB-CG 4.46Å; M1-K6 HydrophobicContact CE-CB 4.47Å; M1-K6 HydrophobicContact CE-CG 3.56Å | |||
| 2 | S | 89.2 | Confident | 91.8 | Very high | 70 Ų | 70 | 102.8 Ų | 102.8 | 49% | 0.49 | 53% | 0.527 | S | S | . | . | trans | -60.8 | 153.4 | 173.9 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | D4 S5 K6 | S2-D4 PolarHBondContact O-N 3.46Å; S2-D4 PolarHBondContact OG-N 3.39Å; S2-S5 WeakPolarHBondContact O-CB 3.44Å; S2-S5 PolarHBondContact O-N 3.09Å; S2-K6 PolarHBondContact O-N 2.86Å; S2-K6 VanDerWaalsContact O-N 3.11Å | ||
| 3 | K | 92 | Very high | 92.2 | Very high | 184 Ų | 184 | 103.5 Ų | 103.5 | 80% | 0.8 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -50.5 | -41.9 | 172 | -73.7 | -176.4 | 177.2 | 179.5 | 0 | 111.1 | S5 K6 M7 | K3-S5 VanDerWaalsContact C-N 3.3Å; K3-S5 PolarHBondContact O-N 2.72Å; K3-K6 PolarHBondContact O-N 2.93Å; K3-M7 PolarHBondContact O-N 2.94Å |
| 4 | D | 94 | Very high | 92.5 | Very high | 91 Ų | 91 | 99.7 Ų | 99.7 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 178.8 | -55.8 | -22.4 | 0 | 0 | 0 | 112.4 | S2 M7 R8 | S2-D4 PolarHBondContact O-N 3.46Å; S2-D4 PolarHBondContact OG-N 3.39Å; D4-M7 PolarHBondContact O-N 2.63Å; D4-R8 WeakPolarHBondContact O-CB 3.3Å; D4-R8 WeakPolarHBondContact O-CG 3.42Å; D4-R8 PolarHBondContact O-N 3.08Å |
| 5 | S | 95.5 | Very high | 92.8 | Very high | 42 Ų | 42 | 93.9 Ų | 93.9 | 29% | 0.294 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 177.3 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | S2 K3 A9 | S2-S5 WeakPolarHBondContact O-CB 3.44Å; S2-S5 PolarHBondContact O-N 3.09Å; K3-S5 VanDerWaalsContact C-N 3.3Å; K3-S5 PolarHBondContact O-N 2.72Å; S5-A9 WeakPolarHBondContact O-CB 3.48Å; S5-A9 PolarHBondContact O-N 3.09Å; S5-A9 VanDerWaalsContact O-N 3.1Å |
| 6 | K | 94.4 | Very high | 93.1 | Very high | 128 Ų | 128 | 92.4 Ų | 92.4 | 56% | 0.557 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.2 | -47.4 | 173.6 | -73.9 | -178.6 | 177.9 | -172.9 | 0 | 110.6 | M1 S2 K3 R8 A9 T10 | M1-K6 HydrophobicContact CB-CG 4.46Å; M1-K6 HydrophobicContact CE-CB 4.47Å; M1-K6 HydrophobicContact CE-CG 3.56Å; S2-K6 PolarHBondContact O-N 2.86Å; S2-K6 VanDerWaalsContact O-N 3.11Å; K3-K6 PolarHBondContact O-N 2.93Å; K6-R8 PolarHBondContact O-N 3.28Å; K6-A9 WeakPolarHBondContact O-CB 3.38Å; K6-A9 PolarHBondContact O-N 3.43Å; K6-A9 VanDerWaalsContact O-N 3.16Å; K6-T10 PolarHBondContact O-N 2.97Å; K6-T10 PolarHBondContact O-OG1 3.32Å |
| 7 | M | 94 | Very high | 93.3 | Very high | 121 Ų | 121 | 95.1 Ų | 95.1 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.4 | -46.7 | 177.8 | -175.3 | -177 | -70.5 | 0 | 0 | 112.2 | K3 D4 A9 T10 I11 | K3-M7 PolarHBondContact O-N 2.94Å; D4-M7 PolarHBondContact O-N 2.63Å; M7-A9 VanDerWaalsContact C-N 3.32Å; M7-A9 PolarHBondContact O-N 3.45Å; M7-T10 PolarHBondContact O-N 3.47Å; M7-I11 HydrophobicContact CG-CD1 4Å; M7-I11 WeakPolarHBondContact O-CG1 3.48Å; M7-I11 PolarHBondContact O-N 3.04Å |
| 8 | R | 95.5 | Very high | 93.5 | Very high | 146 Ų | 146 | 94 Ų | 94 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.3 | -40.1 | 175.9 | -75.2 | -171 | -66.2 | -96.8 | 5.4 | 112.5 | D4 K6 N12 | D4-R8 WeakPolarHBondContact O-CB 3.3Å; D4-R8 WeakPolarHBondContact O-CG 3.42Å; D4-R8 PolarHBondContact O-N 3.08Å; K6-R8 PolarHBondContact O-N 3.28Å; R8-N12 WeakPolarHBondContact O-CB 3.42Å; R8-N12 VanDerWaalsContact O-CG 3.31Å; R8-N12 PolarHBondContact O-N 3.24Å; R8-N12 PolarHBondContact O-ND2 3.22Å |
| 9 | A | 96.1 | Very high | 93.7 | Very high | 52 Ų | 52 | 90.6 Ų | 90.6 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S5 K6 M7 I11 N12 Q13 | S5-A9 WeakPolarHBondContact O-CB 3.48Å; S5-A9 PolarHBondContact O-N 3.09Å; S5-A9 VanDerWaalsContact O-N 3.1Å; K6-A9 WeakPolarHBondContact O-CB 3.38Å; K6-A9 PolarHBondContact O-N 3.43Å; K6-A9 VanDerWaalsContact O-N 3.16Å; M7-A9 VanDerWaalsContact C-N 3.32Å; M7-A9 PolarHBondContact O-N 3.45Å; A9-I11 PolarHBondContact O-N 3.06Å; A9-N12 PolarHBondContact O-N 3.23Å; A9-Q13 WeakPolarHBondContact O-CB 3.5Å; A9-Q13 PolarHBondContact O-N 3.39Å |
| 10 | T | 94.9 | Very high | 93.9 | Very high | 90 Ų | 90 | 87.2 Ų | 87.2 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 176.8 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | K6 M7 Q13 K14 | K6-T10 PolarHBondContact O-N 2.97Å; K6-T10 PolarHBondContact O-OG1 3.32Å; M7-T10 PolarHBondContact O-N 3.47Å; T10-Q13 PolarHBondContact O-N 2.91Å; T10-K14 WeakPolarHBondContact O-CB 3.28Å; T10-K14 PolarHBondContact O-N 3.42Å |
| 11 | I | 95.4 | Very high | 94.1 | Very high | 49 Ų | 49 | 90.6 Ų | 90.6 | 25% | 0.251 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 175.6 | -71.5 | 167.9 | 0 | 0 | 0 | 110.6 | M7 A9 Q13 K14 L15 L90 | M7-I11 HydrophobicContact CG-CD1 4Å; M7-I11 WeakPolarHBondContact O-CG1 3.48Å; M7-I11 PolarHBondContact O-N 3.04Å; A9-I11 PolarHBondContact O-N 3.06Å; I11-Q13 VanDerWaalsContact C-N 3.34Å; I11-Q13 PolarHBondContact O-N 3.49Å; I11-K14 PolarHBondContact O-N 3.02Å; I11-L15 HydrophobicContact CG2-CD1 3.86Å; I11-L15 HydrophobicContact CG2-CG 4.36Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 3.25Å; I11-L90 HydrophobicContact CD1-CD1 4.09Å; I11-L90 HydrophobicContact CG1-CD1 4.2Å; I11-L90 HydrophobicContact CG1-CD2 4.14Å; I11-L90 HydrophobicContact CG2-CD1 4.1Å; I11-L90 HydrophobicContact CG2-CD2 4.17Å |
| 12 | N | 96.3 | Very high | 95.7 | Very high | 92 Ų | 92 | 86.5 Ų | 86.5 | 49% | 0.492 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | -179.8 | -77.4 | -31.7 | 0 | 0 | 0 | 112.9 | R8 A9 T16 | R8-N12 WeakPolarHBondContact O-CB 3.42Å; R8-N12 VanDerWaalsContact O-CG 3.31Å; R8-N12 PolarHBondContact O-N 3.24Å; R8-N12 PolarHBondContact O-ND2 3.22Å; A9-N12 PolarHBondContact O-N 3.23Å; N12-T16 WeakPolarHBondContact O-CB 3.49Å; N12-T16 PolarHBondContact O-N 3.47Å; N12-T16 VanDerWaalsContact O-N 3.07Å; N12-T16 PolarHBondContact O-OG1 3.43Å |
| 13 | Q | 96.4 | Very high | 96.1 | Very high | 112 Ų | 112 | 88.8 Ų | 88.8 | 52% | 0.523 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.4 | -52.2 | 174.2 | -179.9 | 173.7 | 6.2 | 0 | 0 | 110.2 | A9 T10 I11 L15 T16 E17 | A9-Q13 WeakPolarHBondContact O-CB 3.5Å; A9-Q13 PolarHBondContact O-N 3.39Å; T10-Q13 PolarHBondContact O-N 2.91Å; I11-Q13 VanDerWaalsContact C-N 3.34Å; I11-Q13 PolarHBondContact O-N 3.49Å; Q13-L15 PolarHBondContact O-N 3.43Å; Q13-T16 WeakPolarHBondContact O-CA 3.3Å; Q13-T16 WeakPolarHBondContact O-CB 3.26Å; Q13-T16 PolarHBondContact O-N 3Å; Q13-E17 HydrophobicContact CG-CG 4.27Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.18Å; Q13-E17 PolarHBondContact NE2-OE1 3.45Å; Q13-E17 WeakPolarHBondContact O-CG 3.26Å; Q13-E17 PolarHBondContact O-N 3.42Å |
| 14 | K | 95.8 | Very high | 96.4 | Very high | 51 Ų | 51 | 80.9 Ų | 80.9 | 22% | 0.222 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 179 | -167.1 | 170.2 | -168.4 | 156.9 | 0 | 113.2 | T10 I11 T16 M18 F89 H93 | T10-K14 WeakPolarHBondContact O-CB 3.28Å; T10-K14 PolarHBondContact O-N 3.42Å; I11-K14 PolarHBondContact O-N 3.02Å; K14-T16 PolarHBondContact O-N 2.85Å; K14-M18 HydrophobicContact CG-CG 4.45Å; K14-M18 HydrophobicContact CG-SD 4.08Å; K14-M18 WeakPolarHBondContact O-CB 3.48Å; K14-M18 VanDerWaalsContact O-CG 3.32Å; K14-M18 WeakPolarHBondContact O-CG 3.27Å; K14-M18 PolarHBondContact O-N 2.93Å; K14-M18 VanDerWaalsContact O-N 3.09Å; K14-F89 HydrophobicContact CD-CE1 4.43Å; K14-F89 HydrophobicContact CG-CE1 4.02Å; K14-F89 HydrophobicContact CG-CZ 4.16Å; K14-H93 PolarHBondContact NZ-O 3.36Å |
| 15 | L | 97.3 | Very high | 96.6 | Very high | 12 Ų | 12 | 81.1 Ų | 81.1 | 6% | 0.063 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.5 | -35.5 | 175.2 | -71.3 | 170.8 | 0 | 0 | 0 | 112 | I11 Q13 E20 R21 L24 F89 | I11-L15 HydrophobicContact CG2-CD1 3.86Å; I11-L15 HydrophobicContact CG2-CG 4.36Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 3.25Å; Q13-L15 PolarHBondContact O-N 3.43Å; L15-E20 HydrophobicContact CD2-CB 3.81Å; L15-E20 HydrophobicContact CD2-CG 3.53Å; L15-E20 PolarHBondContact O-N 2.62Å; L15-R21 HydrophobicContact CB-CB 4.37Å; L15-R21 PolarHBondContact O-N 3.05Å; L15-L24 HydrophobicContact CD2-CD1 4.21Å; L15-F89 HydrophobicContact CD2-CD1 3.46Å; L15-F89 VanDerWaalsContact CD2-CD1 3.46Å; L15-F89 HydrophobicContact CD2-CE1 3.6Å; L15-F89 HydrophobicContact CD2-CG 4.17Å; L15-F89 HydrophobicContact CD2-CZ 4.41Å; L15-F89 HydrophobicContact CG-CD1 4.46Å; L15-F89 HydrophobicContact CG-CE1 4.26Å |
| 16 | T | 97.8 | Very high | 96.8 | Very high | 71 Ų | 71 | 84.3 Ų | 84.3 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.9 | -49.6 | -179.6 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | N12 Q13 K14 M18 G19 R21 | N12-T16 WeakPolarHBondContact O-CB 3.49Å; N12-T16 PolarHBondContact O-N 3.47Å; N12-T16 VanDerWaalsContact O-N 3.07Å; N12-T16 PolarHBondContact O-OG1 3.43Å; Q13-T16 WeakPolarHBondContact O-CA 3.3Å; Q13-T16 WeakPolarHBondContact O-CB 3.26Å; Q13-T16 PolarHBondContact O-N 3Å; K14-T16 PolarHBondContact O-N 2.85Å; T16-M18 VanDerWaalsContact C-N 3.3Å; T16-M18 PolarHBondContact O-N 3.15Å; T16-G19 PolarHBondContact O-N 2.9Å; T16-G19 VanDerWaalsContact O-N 3.12Å; T16-R21 WeakPolarHBondContact OG1-CD 3.47Å |
| 17 | E | 96.7 | Very high | 96.9 | Very high | 137 Ų | 137 | 79.3 Ų | 79.3 | 64% | 0.64 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.5 | -35.3 | -178.4 | -71.9 | 172 | 175.6 | 0 | 0 | 112.6 | Q13 G19 | Q13-E17 HydrophobicContact CG-CG 4.27Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.18Å; Q13-E17 PolarHBondContact NE2-OE1 3.45Å; Q13-E17 WeakPolarHBondContact O-CG 3.26Å; Q13-E17 PolarHBondContact O-N 3.42Å; E17-G19 VanDerWaalsContact C-N 3.31Å; E17-G19 PolarHBondContact O-N 3.06Å |
| 18 | M | 96.5 | Very high | 97.2 | Very high | 76 Ų | 76 | 76.3 Ų | 76.3 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 7.2 | 179.3 | -56.7 | -164 | 68.4 | 0 | 0 | 113.7 | K14 T16 E20 R23 F89 H93 | K14-M18 HydrophobicContact CG-CG 4.45Å; K14-M18 HydrophobicContact CG-SD 4.08Å; K14-M18 WeakPolarHBondContact O-CB 3.48Å; K14-M18 VanDerWaalsContact O-CG 3.32Å; K14-M18 WeakPolarHBondContact O-CG 3.27Å; K14-M18 PolarHBondContact O-N 2.93Å; K14-M18 VanDerWaalsContact O-N 3.09Å; T16-M18 VanDerWaalsContact C-N 3.3Å; T16-M18 PolarHBondContact O-N 3.15Å; M18-E20 PolarHBondContact O-N 3.37Å; M18-E20 VanDerWaalsContact O-N 3.1Å; M18-R23 PolarHBondContact O-NH1 3.21Å; M18-R23 VanDerWaalsContact O-NH1 3.14Å; M18-R23 PolarHBondContact O-NH2 3.35Å; M18-F89 HydrophobicContact CB-CE2 3.9Å; M18-F89 HydrophobicContact CB-CZ 3.74Å; M18-F89 HydrophobicContact CE-CE2 4.4Å; M18-F89 HydrophobicContact CG-CE2 4.45Å; M18-F89 HydrophobicContact CG-CZ 4Å; M18-F89 HydrophobicContact SD-CE2 3.91Å; M18-F89 HydrophobicContact SD-CZ 3.53Å; M18-F89 VanDerWaalsContact SD-CZ 3.53Å; M18-H93 WeakPolarHBondContact CE-CD2 3.21Å; M18-H93 WeakPolarHBondContact CE-NE2 3.5Å; M18-H93 VanDerWaalsContact SD-CD2 3.58Å |
| 19 | G | 97.4 | Very high | 97.3 | Very high | 29 Ų | 29 | 75.8 Ų | 75.8 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 4.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T16 E17 R21 E22 R23 | T16-G19 PolarHBondContact O-N 2.9Å; T16-G19 VanDerWaalsContact O-N 3.12Å; E17-G19 VanDerWaalsContact C-N 3.31Å; E17-G19 PolarHBondContact O-N 3.06Å; G19-R21 VanDerWaalsContact C-N 3.25Å; G19-R21 PolarHBondContact O-N 3.16Å; G19-E22 PolarHBondContact O-N 3.13Å; G19-R23 PolarHBondContact O-N 3.03Å |
| 20 | E | 97.7 | Very high | 97.4 | Very high | 22 Ų | 22 | 75.9 Ų | 75.9 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.7 | -32.9 | -179.4 | -174.2 | 60.7 | -162.2 | 0 | 0 | 111.5 | L15 M18 E22 R23 L24 F89 | L15-E20 HydrophobicContact CD2-CB 3.81Å; L15-E20 HydrophobicContact CD2-CG 3.53Å; L15-E20 PolarHBondContact O-N 2.62Å; M18-E20 PolarHBondContact O-N 3.37Å; M18-E20 VanDerWaalsContact O-N 3.1Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 3.5Å; E20-R23 VanDerWaalsContact CA-NH2 3.33Å; E20-R23 PolarHBondContact O-N 3.26Å; E20-R23 IonicContact OE2-CZ 2.92Å; E20-R23 IonicContact OE2-NE 2.78Å; E20-R23 PolarHBondContact OE2-NE 3.29Å; E20-R23 IonicContact OE2-NH2 3.57Å; E20-R23 PolarHBondContact OE2-NH2 2.85Å; E20-L24 HydrophobicContact CG-CD1 3.92Å; E20-L24 HydrophobicContact CG-CG 4.16Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 VanDerWaalsContact O-CG 3.24Å; E20-L24 WeakPolarHBondContact O-CG 3.37Å; E20-L24 PolarHBondContact O-N 3.33Å; E20-F89 HydrophobicContact CB-CD2 3.92Å; E20-F89 HydrophobicContact CB-CE1 4.5Å; E20-F89 HydrophobicContact CB-CE2 3.77Å; E20-F89 HydrophobicContact CB-CG 4.34Å; E20-F89 HydrophobicContact CB-CZ 4.08Å; E20-F89 HydrophobicContact CG-CB 4.22Å; E20-F89 HydrophobicContact CG-CD1 4.27Å; E20-F89 HydrophobicContact CG-CD2 3.69Å; E20-F89 HydrophobicContact CG-CE2 4.1Å; E20-F89 HydrophobicContact CG-CG 3.79Å |
| 21 | R | 97.9 | Very high | 97.6 | Very high | 159 Ų | 159 | 74.2 Ų | 74.2 | 60% | 0.6 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59 | -41.2 | 176.5 | -175.6 | 175.6 | 177.2 | -178 | -2.1 | 112.5 | L15 T16 G19 K25 | L15-R21 HydrophobicContact CB-CB 4.37Å; L15-R21 PolarHBondContact O-N 3.05Å; T16-R21 WeakPolarHBondContact OG1-CD 3.47Å; G19-R21 VanDerWaalsContact C-N 3.25Å; G19-R21 PolarHBondContact O-N 3.16Å; R21-K25 WeakPolarHBondContact O-CB 3.36Å; R21-K25 PolarHBondContact O-N 3.22Å; R21-K25 VanDerWaalsContact O-N 3.09Å |
| 22 | E | 98.3 | Very high | 97.7 | Very high | 82 Ų | 82 | 72.8 Ų | 72.8 | 38% | 0.383 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -74.1 | -39.9 | 178.9 | -163.2 | 61.7 | -153.2 | 0 | 0 | 110.8 | G19 E20 L24 K25 E26 | G19-E22 PolarHBondContact O-N 3.13Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 3.5Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 2.98Å; E22-K25 WeakPolarHBondContact O-CB 3.28Å; E22-K25 PolarHBondContact O-N 3.26Å; E22-K25 VanDerWaalsContact O-N 3.09Å; E22-K25 IonicContact OE1-NZ 2.83Å; E22-K25 PolarHBondContact OE1-NZ 2.8Å; E22-K25 IonicContact OE2-NZ 3.13Å; E22-K25 PolarHBondContact OE2-NZ 2.97Å; E22-K25 VanDerWaalsContact OE2-NZ 3.13Å; E22-E26 WeakPolarHBondContact O-CG 3.38Å; E22-E26 PolarHBondContact O-N 2.95Å |
| 23 | R | 98.3 | Very high | 97.8 | Very high | 118 Ų | 118 | 71.7 Ų | 71.7 | 45% | 0.445 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.8 | -42.7 | 173 | -68.1 | -171.3 | -69 | -90.2 | 2.8 | 112.4 | M18 G19 E20 L27 | M18-R23 PolarHBondContact O-NH1 3.21Å; M18-R23 VanDerWaalsContact O-NH1 3.14Å; M18-R23 PolarHBondContact O-NH2 3.35Å; G19-R23 PolarHBondContact O-N 3.03Å; E20-R23 VanDerWaalsContact CA-NH2 3.33Å; E20-R23 PolarHBondContact O-N 3.26Å; E20-R23 IonicContact OE2-CZ 2.92Å; E20-R23 IonicContact OE2-NE 2.78Å; E20-R23 PolarHBondContact OE2-NE 3.29Å; E20-R23 IonicContact OE2-NH2 3.57Å; E20-R23 PolarHBondContact OE2-NH2 2.85Å; R23-L27 WeakPolarHBondContact O-CB 3.4Å; R23-L27 PolarHBondContact O-N 3.44Å |
| 24 | L | 98.4 | Very high | 97.9 | Very high | 19 Ų | 19 | 73.7 Ų | 73.7 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 175.8 | -71.5 | 168.6 | 0 | 0 | 0 | 112.1 | L15 E20 E22 L28 L82 R85 I86 | L15-L24 HydrophobicContact CD2-CD1 4.21Å; E20-L24 HydrophobicContact CG-CD1 3.92Å; E20-L24 HydrophobicContact CG-CG 4.16Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 VanDerWaalsContact O-CG 3.24Å; E20-L24 WeakPolarHBondContact O-CG 3.37Å; E20-L24 PolarHBondContact O-N 3.33Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 2.98Å; L24-L28 WeakPolarHBondContact O-CB 3.31Å; L24-L28 PolarHBondContact O-N 3.2Å; L24-L82 HydrophobicContact CB-CD2 4.11Å; L24-L82 HydrophobicContact CD2-CD2 3.68Å; L24-L82 WeakPolarHBondContact O-CD2 3.28Å; L24-R85 HydrophobicContact CD2-CB 3.82Å; L24-I86 HydrophobicContact CD1-CD1 4.2Å; L24-I86 HydrophobicContact CD1-CG1 3.59Å; L24-I86 HydrophobicContact CD2-CG1 4.25Å |
| 25 | K | 98.4 | Very high | 98 | Very high | 96 Ų | 96 | 73.7 Ų | 73.7 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 177.5 | 178.7 | -178.9 | 159.1 | -143.6 | 0 | 112 | R21 E22 L28 R29 | R21-K25 WeakPolarHBondContact O-CB 3.36Å; R21-K25 PolarHBondContact O-N 3.22Å; R21-K25 VanDerWaalsContact O-N 3.09Å; E22-K25 WeakPolarHBondContact O-CB 3.28Å; E22-K25 PolarHBondContact O-N 3.26Å; E22-K25 VanDerWaalsContact O-N 3.09Å; E22-K25 IonicContact OE1-NZ 2.83Å; E22-K25 PolarHBondContact OE1-NZ 2.8Å; E22-K25 IonicContact OE2-NZ 3.13Å; E22-K25 PolarHBondContact OE2-NZ 2.97Å; E22-K25 VanDerWaalsContact OE2-NZ 3.13Å; K25-L28 PolarHBondContact O-N 3.07Å; K25-R29 WeakPolarHBondContact O-CB 3.48Å; K25-R29 PolarHBondContact O-N 3.35Å |
| 26 | E | 98.5 | Very high | 98.1 | Very high | 109 Ų | 109 | 74 Ų | 74 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 173.4 | -72.8 | 176.4 | 171 | 0 | 0 | 111.4 | E22 L28 R29 A30 | E22-E26 WeakPolarHBondContact O-CG 3.38Å; E22-E26 PolarHBondContact O-N 2.95Å; E26-L28 PolarHBondContact O-N 3.33Å; E26-R29 PolarHBondContact O-N 3.46Å; E26-A30 PolarHBondContact O-N 2.94Å |
| 27 | L | 98.3 | Very high | 98.1 | Very high | 22 Ų | 22 | 73.3 Ų | 73.3 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 174.6 | 177.8 | 68.3 | 0 | 0 | 0 | 111.7 | R23 R29 A30 K31 L82 R85 | R23-L27 WeakPolarHBondContact O-CB 3.4Å; R23-L27 PolarHBondContact O-N 3.44Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-R29 PolarHBondContact O-N 3.44Å; L27-A30 PolarHBondContact O-N 2.82Å; L27-K31 HydrophobicContact CD1-CG 4.08Å; L27-K31 HydrophobicContact CG-CG 4.28Å; L27-K31 WeakPolarHBondContact O-CB 3.4Å; L27-K31 VanDerWaalsContact O-CG 3.28Å; L27-K31 WeakPolarHBondContact O-CG 3.44Å; L27-K31 PolarHBondContact O-N 3.22Å; L27-L82 HydrophobicContact CD2-CD2 3.96Å; L27-R85 VanDerWaalsContact CD2-CD 3.45Å |
| 28 | L | 98.6 | Very high | 98.2 | Very high | 59 Ų | 59 | 74.4 Ų | 74.4 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 178 | 175.3 | 60.2 | 0 | 0 | 0 | 110.6 | L24 K25 E26 A30 K31 L32 V78 L82 | L24-L28 WeakPolarHBondContact O-CB 3.31Å; L24-L28 PolarHBondContact O-N 3.2Å; K25-L28 PolarHBondContact O-N 3.07Å; E26-L28 PolarHBondContact O-N 3.33Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.41Å; L28-K31 PolarHBondContact O-N 3.47Å; L28-L32 HydrophobicContact CD1-CD1 3.74Å; L28-L32 HydrophobicContact CD1-CD2 4.24Å; L28-L32 HydrophobicContact CD1-CG 3.76Å; L28-L32 HydrophobicContact CG-CD1 3.95Å; L28-L32 HydrophobicContact CG-CG 4.31Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 3.03Å; L28-V78 HydrophobicContact CD1-CG1 3.74Å; L28-L82 HydrophobicContact CB-CD1 4.02Å; L28-L82 HydrophobicContact CB-CD2 4.46Å; L28-L82 HydrophobicContact CD1-CD1 3.73Å; L28-L82 HydrophobicContact CD2-CD1 4.43Å; L28-L82 HydrophobicContact CG-CD1 4.25Å |
| 29 | R | 98.5 | Very high | 98.3 | Very high | 135 Ų | 135 | 75.8 Ų | 75.8 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 178 | -174.5 | -174.3 | -66.4 | 129.1 | -6.2 | 111.7 | K25 E26 L27 T33 | K25-R29 WeakPolarHBondContact O-CB 3.48Å; K25-R29 PolarHBondContact O-N 3.35Å; E26-R29 PolarHBondContact O-N 3.46Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-R29 PolarHBondContact O-N 3.44Å; R29-T33 WeakPolarHBondContact O-CB 3.42Å; R29-T33 PolarHBondContact O-N 2.98Å; R29-T33 PolarHBondContact O-OG1 2.88Å |
| 30 | A | 98.5 | Very high | 98.3 | Very high | 54 Ų | 54 | 79.2 Ų | 79.2 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.4 | -50.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E26 L27 L28 L32 T33 E34 | E26-A30 PolarHBondContact O-N 2.94Å; L27-A30 PolarHBondContact O-N 2.82Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.41Å; A30-L32 PolarHBondContact O-N 3.1Å; A30-T33 WeakPolarHBondContact O-CB 3.18Å; A30-T33 PolarHBondContact O-N 3.46Å; A30-T33 VanDerWaalsContact O-N 3.11Å; A30-E34 WeakPolarHBondContact O-CB 3.37Å; A30-E34 PolarHBondContact O-N 3.33Å |
| 31 | K | 98.5 | Very high | 98.3 | Very high | 54 Ų | 54 | 79.2 Ų | 79.2 | 24% | 0.235 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | -179.4 | -67.8 | -72.4 | 172.4 | 168.8 | 0 | 113.2 | L27 L28 T33 E34 C35 V78 E81 | L27-K31 HydrophobicContact CD1-CG 4.08Å; L27-K31 HydrophobicContact CG-CG 4.28Å; L27-K31 WeakPolarHBondContact O-CB 3.4Å; L27-K31 VanDerWaalsContact O-CG 3.28Å; L27-K31 WeakPolarHBondContact O-CG 3.44Å; L27-K31 PolarHBondContact O-N 3.22Å; L28-K31 PolarHBondContact O-N 3.47Å; K31-T33 VanDerWaalsContact C-N 3.29Å; K31-T33 PolarHBondContact O-N 3.22Å; K31-E34 PolarHBondContact O-N 3.48Å; K31-C35 WeakPolarHBondContact O-CB 3.34Å; K31-C35 PolarHBondContact O-N 3.11Å; K31-C35 PolarHBondContact O-SG 2.98Å; K31-C35 VanDerWaalsContact O-SG 3.34Å; K31-V78 HydrophobicContact CB-CG1 3.88Å; K31-V78 HydrophobicContact CB-CG2 4.01Å; K31-E81 WeakPolarHBondContact CE-OE1 3.44Å; K31-E81 WeakPolarHBondContact CE-OE2 3.24Å; K31-E81 IonicContact NZ-OE1 3.91Å; K31-E81 IonicContact NZ-OE2 3.17Å; K31-E81 PolarHBondContact NZ-OE2 2.92Å |
| 32 | L | 98.6 | Very high | 98.3 | Very high | 19 Ų | 19 | 77.4 Ų | 77.4 | 10% | 0.099 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.5 | -30.6 | 175.5 | -68.2 | -178.6 | 0 | 0 | 0 | 112.3 | L28 A30 W37 R38 V74 | L28-L32 HydrophobicContact CD1-CD1 3.74Å; L28-L32 HydrophobicContact CD1-CD2 4.24Å; L28-L32 HydrophobicContact CD1-CG 3.76Å; L28-L32 HydrophobicContact CG-CD1 3.95Å; L28-L32 HydrophobicContact CG-CG 4.31Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 3.03Å; A30-L32 PolarHBondContact O-N 3.1Å; L32-W37 HydrophobicContact CB-CB 4.04Å; L32-W37 HydrophobicContact CB-CD2 4.17Å; L32-W37 HydrophobicContact CB-CE3 3.9Å; L32-W37 HydrophobicContact CB-CG 4.26Å; L32-W37 HydrophobicContact CD1-CD2 4.05Å; L32-W37 HydrophobicContact CD1-CE3 3.94Å; L32-W37 HydrophobicContact CD1-CZ3 4.2Å; L32-W37 HydrophobicContact CD2-CB 3.92Å; L32-W37 HydrophobicContact CD2-CD2 4.09Å; L32-W37 HydrophobicContact CD2-CG 3.76Å; L32-W37 HydrophobicContact CG-CD2 4.33Å; L32-W37 HydrophobicContact CG-CE3 4.37Å; L32-W37 HydrophobicContact CG-CG 4.41Å; L32-W37 VanDerWaalsContact O-CB 3.25Å; L32-W37 WeakPolarHBondContact O-CB 3.47Å; L32-W37 PolarHBondContact O-N 3.16Å; L32-R38 PolarHBondContact O-N 3.41Å; L32-V74 HydrophobicContact CD2-CG1 4.17Å; L32-V74 HydrophobicContact CD2-CG2 4.19Å |
| 33 | T | 98.4 | Very high | 98.3 | Very high | 70 Ų | 70 | 75.8 Ų | 75.8 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72.5 | -48 | 173.8 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | R29 A30 K31 C35 G36 | R29-T33 WeakPolarHBondContact O-CB 3.42Å; R29-T33 PolarHBondContact O-N 2.98Å; R29-T33 PolarHBondContact O-OG1 2.88Å; A30-T33 WeakPolarHBondContact O-CB 3.18Å; A30-T33 PolarHBondContact O-N 3.46Å; A30-T33 VanDerWaalsContact O-N 3.11Å; K31-T33 VanDerWaalsContact C-N 3.29Å; K31-T33 PolarHBondContact O-N 3.22Å; T33-C35 PolarHBondContact O-N 3.37Å; T33-G36 PolarHBondContact O-N 3.26Å; T33-G36 VanDerWaalsContact O-N 3.09Å |
| 34 | E | 98 | Very high | 98.3 | Very high | 153 Ų | 153 | 72.7 Ų | 72.7 | 72% | 0.715 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.4 | -42.3 | -179.8 | -175 | -176.3 | -174.6 | 0 | 0 | 112.7 | A30 K31 G36 | A30-E34 WeakPolarHBondContact O-CB 3.37Å; A30-E34 PolarHBondContact O-N 3.33Å; K31-E34 PolarHBondContact O-N 3.48Å; E34-G36 PolarHBondContact O-N 2.93Å |
| 35 | C | 97.8 | Very high | 98.3 | Very high | 51 Ų | 51 | 72.9 Ų | 72.9 | 35% | 0.345 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 6.1 | 179 | 80.8 | 0 | 0 | 0 | 0 | 114 | K31 T33 W37 P75 | K31-C35 WeakPolarHBondContact O-CB 3.34Å; K31-C35 PolarHBondContact O-N 3.11Å; K31-C35 PolarHBondContact O-SG 2.98Å; K31-C35 VanDerWaalsContact O-SG 3.34Å; T33-C35 PolarHBondContact O-N 3.37Å; C35-W37 VanDerWaalsContact C-N 3.29Å; C35-W37 PolarHBondContact O-N 3.19Å; C35-P75 HydrophobicContact CB-CG 4.36Å |
| 36 | G | 98.3 | Very high | 98.2 | Very high | 19 Ų | 19 | 74.5 Ų | 74.5 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 13.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | T33 E34 R38 D39 Q40 | T33-G36 PolarHBondContact O-N 3.26Å; T33-G36 VanDerWaalsContact O-N 3.09Å; E34-G36 PolarHBondContact O-N 2.93Å; G36-R38 VanDerWaalsContact C-N 3.28Å; G36-R38 PolarHBondContact O-N 3.45Å; G36-D39 PolarHBondContact O-N 3.27Å; G36-Q40 WeakPolarHBondContact O-CG 3.27Å; G36-Q40 PolarHBondContact O-N 3.36Å |
| 37 | W | 98.7 | Very high | 98.1 | Very high | 57 Ų | 57 | 73.9 Ų | 73.9 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 178.4 | 171.5 | 97.3 | 0 | 0 | 0 | 111.4 | L32 C35 D39 Q40 L41 G70 L73 | L32-W37 HydrophobicContact CB-CB 4.04Å; L32-W37 HydrophobicContact CB-CD2 4.17Å; L32-W37 HydrophobicContact CB-CE3 3.9Å; L32-W37 HydrophobicContact CB-CG 4.26Å; L32-W37 HydrophobicContact CD1-CD2 4.05Å; L32-W37 HydrophobicContact CD1-CE3 3.94Å; L32-W37 HydrophobicContact CD1-CZ3 4.2Å; L32-W37 HydrophobicContact CD2-CB 3.92Å; L32-W37 HydrophobicContact CD2-CD2 4.09Å; L32-W37 HydrophobicContact CD2-CG 3.76Å; L32-W37 HydrophobicContact CG-CD2 4.33Å; L32-W37 HydrophobicContact CG-CE3 4.37Å; L32-W37 HydrophobicContact CG-CG 4.41Å; L32-W37 VanDerWaalsContact O-CB 3.25Å; L32-W37 WeakPolarHBondContact O-CB 3.47Å; L32-W37 PolarHBondContact O-N 3.16Å; C35-W37 VanDerWaalsContact C-N 3.29Å; C35-W37 PolarHBondContact O-N 3.19Å; W37-D39 VanDerWaalsContact C-N 3.34Å; W37-D39 PolarHBondContact O-N 2.93Å; W37-Q40 PolarHBondContact O-N 3.37Å; W37-L41 HydrophobicContact CH2-CD2 3.48Å; W37-L41 VanDerWaalsContact CH2-CD2 3.48Å; W37-L41 HydrophobicContact CZ2-CD2 3.47Å; W37-L41 VanDerWaalsContact CZ2-CD2 3.47Å; W37-L41 HydrophobicContact CZ3-CD2 4.18Å; W37-L41 WeakPolarHBondContact O-CB 3.25Å; W37-L41 PolarHBondContact O-N 3.07Å; W37-G70 PolarHBondContact NE1-O 3.01Å; W37-L73 VanDerWaalsContact CD1-CB 3.48Å |
| 38 | R | 98 | Very high | 98 | Very high | 159 Ų | 159 | 73.2 Ų | 73.2 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 179.9 | -175.6 | 179.6 | -177.5 | -166.9 | -0.2 | 111.7 | L32 G36 K42 | L32-R38 PolarHBondContact O-N 3.41Å; G36-R38 VanDerWaalsContact C-N 3.28Å; G36-R38 PolarHBondContact O-N 3.45Å; R38-K42 VanDerWaalsContact O-CB 3.28Å; R38-K42 WeakPolarHBondContact O-CB 3.42Å; R38-K42 PolarHBondContact O-N 3.34Å |
| 39 | D | 98.4 | Very high | 98 | Very high | 106 Ų | 106 | 72.8 Ų | 72.8 | 57% | 0.567 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -72.9 | -41.4 | -177.5 | -64.8 | -35 | 0 | 0 | 0 | 111.5 | G36 W37 K42 A43 | G36-D39 PolarHBondContact O-N 3.27Å; W37-D39 VanDerWaalsContact C-N 3.34Å; W37-D39 PolarHBondContact O-N 2.93Å; D39-K42 PolarHBondContact O-N 3.34Å; D39-A43 WeakPolarHBondContact O-CB 3.47Å; D39-A43 PolarHBondContact O-N 3.3Å |
| 40 | Q | 98.3 | Very high | 97.9 | Very high | 100 Ų | 100 | 75 Ų | 75 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 174.5 | -71.1 | 179.1 | 59.4 | 0 | 0 | 111.9 | G36 W37 A43 H44 L73 | G36-Q40 WeakPolarHBondContact O-CG 3.27Å; G36-Q40 PolarHBondContact O-N 3.36Å; W37-Q40 PolarHBondContact O-N 3.37Å; Q40-A43 PolarHBondContact O-N 3.37Å; Q40-H44 PolarHBondContact O-N 3.09Å; Q40-H44 VanDerWaalsContact O-N 3.07Å; Q40-L73 HydrophobicContact CB-CD1 3.81Å; Q40-L73 VanDerWaalsContact OE1-CD2 3.26Å |
| 41 | L | 98.2 | Very high | 97.7 | Very high | 22 Ų | 22 | 80.5 Ų | 80.5 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67 | -41.1 | 177.6 | -170.1 | 61.6 | 0 | 0 | 0 | 111.2 | W37 A43 H44 C45 I66 | W37-L41 HydrophobicContact CH2-CD2 3.48Å; W37-L41 VanDerWaalsContact CH2-CD2 3.48Å; W37-L41 HydrophobicContact CZ2-CD2 3.47Å; W37-L41 VanDerWaalsContact CZ2-CD2 3.47Å; W37-L41 HydrophobicContact CZ3-CD2 4.18Å; W37-L41 WeakPolarHBondContact O-CB 3.25Å; W37-L41 PolarHBondContact O-N 3.07Å; L41-A43 VanDerWaalsContact C-N 3.35Å; L41-A43 PolarHBondContact O-N 3.25Å; L41-H44 PolarHBondContact O-N 3.21Å; L41-C45 PolarHBondContact O-N 3.47Å; L41-C45 PolarHBondContact O-SG 3.43Å; L41-I66 HydrophobicContact CD1-CB 4.01Å; L41-I66 HydrophobicContact CD1-CG1 4.39Å |
| 42 | K | 98.1 | Very high | 97.5 | Very high | 121 Ų | 121 | 81.5 Ų | 81.5 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62 | -40 | 175.6 | -176.4 | -179.9 | -179.6 | -177.5 | 0 | 112.3 | R38 D39 C45 K46 | R38-K42 VanDerWaalsContact O-CB 3.28Å; R38-K42 WeakPolarHBondContact O-CB 3.42Å; R38-K42 PolarHBondContact O-N 3.34Å; D39-K42 PolarHBondContact O-N 3.34Å; K42-C45 PolarHBondContact O-N 3.27Å; K42-K46 WeakPolarHBondContact O-CG 3.45Å; K42-K46 PolarHBondContact O-N 3.44Å; K42-K46 VanDerWaalsContact O-N 3.16Å |
| 43 | A | 98.2 | Very high | 97.3 | Very high | 48 Ų | 48 | 81.8 Ų | 81.8 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D39 Q40 L41 C45 K46 D47 | D39-A43 WeakPolarHBondContact O-CB 3.47Å; D39-A43 PolarHBondContact O-N 3.3Å; Q40-A43 PolarHBondContact O-N 3.37Å; L41-A43 VanDerWaalsContact C-N 3.35Å; L41-A43 PolarHBondContact O-N 3.25Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-C45 PolarHBondContact O-N 2.9Å; A43-K46 WeakPolarHBondContact O-CB 3.22Å; A43-K46 PolarHBondContact O-N 3.4Å; A43-D47 PolarHBondContact O-N 2.78Å |
| 44 | H | 97.4 | Very high | 97.1 | Very high | 54 Ų | 54 | 85 Ų | 85 | 25% | 0.25 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 176.7 | -173.4 | 51.1 | 0 | 0 | 0 | 113 | Q40 L41 K46 D47 V48 | Q40-H44 PolarHBondContact O-N 3.09Å; Q40-H44 VanDerWaalsContact O-N 3.07Å; L41-H44 PolarHBondContact O-N 3.21Å; H44-K46 VanDerWaalsContact C-N 3.28Å; H44-K46 PolarHBondContact O-N 3Å; H44-D47 PolarHBondContact O-N 3.32Å; H44-V48 WeakPolarHBondContact O-CG2 3.39Å; H44-V48 PolarHBondContact O-N 3.07Å |
| 45 | C | 97.6 | Very high | 96.9 | Very high | 22 Ų | 22 | 86.4 Ų | 86.4 | 15% | 0.149 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 172.8 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | L41 K42 A43 D47 V48 I49 L62 I66 | L41-C45 PolarHBondContact O-N 3.47Å; L41-C45 PolarHBondContact O-SG 3.43Å; K42-C45 PolarHBondContact O-N 3.27Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-C45 PolarHBondContact O-N 2.9Å; C45-D47 VanDerWaalsContact C-N 3.35Å; C45-V48 PolarHBondContact O-N 2.83Å; C45-I49 VanDerWaalsContact O-CG1 3.26Å; C45-I49 WeakPolarHBondContact O-CG1 3.46Å; C45-I49 PolarHBondContact O-N 3.13Å; C45-L62 HydrophobicContact CB-CD1 4.41Å; C45-L62 HydrophobicContact CB-CD2 4.41Å; C45-I66 WeakPolarHBondContact SG-CD1 3.37Å |
| 46 | K | 97.4 | Very high | 96.7 | Very high | 130 Ų | 130 | 90.9 Ų | 90.9 | 57% | 0.565 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.8 | -39.2 | 178.7 | -71 | 177.8 | 174.2 | -172.2 | 0 | 111.6 | K42 A43 H44 I49 K50 | K42-K46 WeakPolarHBondContact O-CG 3.45Å; K42-K46 PolarHBondContact O-N 3.44Å; K42-K46 VanDerWaalsContact O-N 3.16Å; A43-K46 WeakPolarHBondContact O-CB 3.22Å; A43-K46 PolarHBondContact O-N 3.4Å; H44-K46 VanDerWaalsContact C-N 3.28Å; H44-K46 PolarHBondContact O-N 3Å; K46-I49 PolarHBondContact O-N 2.97Å; K46-K50 VanDerWaalsContact O-CB 3.3Å; K46-K50 WeakPolarHBondContact O-CB 3.34Å; K46-K50 PolarHBondContact O-N 2.97Å |
| 47 | D | 97 | Very high | 96.5 | Very high | 96 Ų | 96 | 91.1 Ų | 91.1 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 177 | -63 | -28.3 | 0 | 0 | 0 | 110.9 | A43 H44 C45 I49 K50 E51 | A43-D47 PolarHBondContact O-N 2.78Å; H44-D47 PolarHBondContact O-N 3.32Å; C45-D47 VanDerWaalsContact C-N 3.35Å; D47-I49 PolarHBondContact O-N 2.99Å; D47-K50 WeakPolarHBondContact O-CB 3.42Å; D47-K50 PolarHBondContact O-N 3.45Å; D47-E51 PolarHBondContact O-N 3.41Å |
| 48 | V | 96.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 91.7 Ų | 91.7 | 5% | 0.048 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.9 | -46 | 176 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | H44 C45 K50 E51 K52 L62 E65 I66 | H44-V48 WeakPolarHBondContact O-CG2 3.39Å; H44-V48 PolarHBondContact O-N 3.07Å; C45-V48 PolarHBondContact O-N 2.83Å; V48-K50 VanDerWaalsContact C-N 3.29Å; V48-K50 PolarHBondContact O-N 2.91Å; V48-E51 PolarHBondContact O-N 2.92Å; V48-K52 HydrophobicContact CG1-CD 4.1Å; V48-K52 HydrophobicContact CG1-CG 4.46Å; V48-K52 PolarHBondContact O-N 3.34Å; V48-L62 HydrophobicContact CB-CD1 3.99Å; V48-L62 HydrophobicContact CG1-CD1 3.69Å; V48-E65 HydrophobicContact CB-CG 4.47Å; V48-E65 HydrophobicContact CG1-CB 4.19Å; V48-E65 HydrophobicContact CG1-CG 3.79Å; V48-E65 HydrophobicContact CG2-CG 3.77Å; V48-I66 HydrophobicContact CG2-CG2 4.44Å |
| 49 | I | 96.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 89.1 Ų | 89.1 | 26% | 0.256 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 178 | -68.1 | 166.1 | 0 | 0 | 0 | 110.7 | C45 K46 D47 E51 G53 L54 V57 L62 | C45-I49 VanDerWaalsContact O-CG1 3.26Å; C45-I49 WeakPolarHBondContact O-CG1 3.46Å; C45-I49 PolarHBondContact O-N 3.13Å; K46-I49 PolarHBondContact O-N 2.97Å; D47-I49 PolarHBondContact O-N 2.99Å; I49-E51 VanDerWaalsContact C-N 3.35Å; I49-G53 CarbonylContact O-C 3.55Å; I49-G53 VanDerWaalsContact O-CA 3.3Å; I49-G53 WeakPolarHBondContact O-CA 3.38Å; I49-G53 PolarHBondContact O-N 3.11Å; I49-L54 HydrophobicContact CG2-CB 4.41Å; I49-L54 HydrophobicContact CG2-CD1 3.96Å; I49-V57 HydrophobicContact CG1-CG1 4.17Å; I49-L62 HydrophobicContact CD1-CD2 4.04Å; I49-L62 HydrophobicContact CG1-CD1 4.16Å; I49-L62 HydrophobicContact CG1-CD2 4.35Å |
| 50 | K | 96.7 | Very high | 96.3 | Very high | 181 Ų | 181 | 90.3 Ų | 90.3 | 79% | 0.787 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.1 | -37.8 | 177.4 | -176.1 | -177.3 | 176.2 | -172.9 | 0 | 111.9 | K46 D47 V48 | K46-K50 VanDerWaalsContact O-CB 3.3Å; K46-K50 WeakPolarHBondContact O-CB 3.34Å; K46-K50 PolarHBondContact O-N 2.97Å; D47-K50 WeakPolarHBondContact O-CB 3.42Å; D47-K50 PolarHBondContact O-N 3.45Å; V48-K50 VanDerWaalsContact C-N 3.29Å; V48-K50 PolarHBondContact O-N 2.91Å |
| 51 | E | 95.9 | Very high | 96.2 | Very high | 170 Ų | 170 | 89 Ų | 89 | 79% | 0.794 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -73.2 | -45.5 | 178.9 | -174.8 | 178.7 | 173.2 | 0 | 0 | 112.4 | D47 V48 I49 | D47-E51 PolarHBondContact O-N 3.41Å; V48-E51 PolarHBondContact O-N 2.92Å; I49-E51 VanDerWaalsContact C-N 3.35Å |
| 52 | K | 94.4 | Very high | 96.1 | Very high | 76 Ų | 76 | 89.4 Ų | 89.4 | 33% | 0.33 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -80.9 | -27.9 | -177.7 | -65.2 | -170.9 | 179.6 | -176.8 | 0 | 113.4 | V48 H56 V57 E65 | V48-K52 HydrophobicContact CG1-CD 4.1Å; V48-K52 HydrophobicContact CG1-CG 4.46Å; V48-K52 PolarHBondContact O-N 3.34Å; K52-H56 WeakPolarHBondContact O-CB 3.45Å; K52-H56 PolarHBondContact O-CD2 2.9Å; K52-V57 HydrophobicContact CB-CB 4.42Å; K52-V57 HydrophobicContact CD-CG2 4.34Å; K52-E65 IonicContact NZ-OE2 2.72Å; K52-E65 PolarHBondContact NZ-OE2 3.44Å |
| 53 | G | 94.4 | Very high | 96.1 | Very high | 25 Ų | 25 | 87 Ų | 87 | 26% | 0.258 | 45% | 0.447 | S | S | . | . | trans | 86 | 139.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I49 E55 H56 | I49-G53 CarbonylContact O-C 3.55Å; I49-G53 VanDerWaalsContact O-CA 3.3Å; I49-G53 WeakPolarHBondContact O-CA 3.38Å; I49-G53 PolarHBondContact O-N 3.11Å; G53-E55 PolarHBondContact O-N 3.05Å; G53-H56 PolarHBondContact O-N 3.48Å; G53-H56 VanDerWaalsContact O-N 3.09Å | ||
| 54 | L | 93.9 | Very high | 96 | Very high | 138 Ų | 138 | 89.9 Ų | 89.9 | 72% | 0.723 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -61.2 | -31.4 | -174.5 | -173.3 | 65.6 | 0 | 0 | 0 | 113.1 | I49 H56 | I49-L54 HydrophobicContact CG2-CB 4.41Å; I49-L54 HydrophobicContact CG2-CD1 3.96Å; L54-H56 VanDerWaalsContact C-N 3.28Å; L54-H56 PolarHBondContact O-N 3.44Å |
| 55 | E | 94.1 | Very high | 95.9 | Very high | 182 Ų | 182 | 91.4 Ų | 91.4 | 85% | 0.85 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -77.9 | -11.5 | -179.5 | -60.6 | -177.5 | 176.9 | 0 | 0 | 113.3 | G53 | G53-E55 PolarHBondContact O-N 3.05Š|
| 56 | H | 93 | Very high | 95.9 | Very high | 145 Ų | 145 | 91.4 Ų | 91.4 | 67% | 0.671 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -115.8 | 10.2 | -173.4 | -55.8 | -52.7 | 0 | 0 | 0 | 113.5 | K52 G53 L54 | K52-H56 WeakPolarHBondContact O-CB 3.45Å; K52-H56 PolarHBondContact O-CD2 2.9Å; G53-H56 PolarHBondContact O-N 3.48Å; G53-H56 VanDerWaalsContact O-N 3.09Å; L54-H56 VanDerWaalsContact C-N 3.28Å; L54-H56 PolarHBondContact O-N 3.44Å |
| 57 | V | 94.2 | Very high | 96 | Very high | 24 Ų | 24 | 87.4 Ų | 87.4 | 15% | 0.145 | 45% | 0.451 | C | S | . | . | trans | -129 | 117.9 | -177.4 | 67.3 | 0 | 0 | 0 | 0 | 111 | I49 K52 D61 L62 | I49-V57 HydrophobicContact CG1-CG1 4.17Å; K52-V57 HydrophobicContact CB-CB 4.42Å; K52-V57 HydrophobicContact CD-CG2 4.34Å; V57-D61 HydrophobicContact CG2-CB 4.11Å; V57-L62 HydrophobicContact CG2-CB 4.1Å | ||
| 58 | T | 96.4 | Very high | 96 | Very high | 68 Ų | 68 | 86.6 Ų | 86.6 | 42% | 0.417 | 45% | 0.451 | S | S | . | . | trans | -82.4 | 168.1 | 168.8 | 67 | 0 | 0 | 0 | 0 | 110.9 | E60 D61 L62 | T58-E60 PolarHBondContact O-N 2.85Å; T58-D61 WeakPolarHBondContact CB-OD2 3.36Å; T58-D61 PolarHBondContact N-OD2 2.98Å; T58-D61 VanDerWaalsContact N-OD2 3.08Å; T58-D61 PolarHBondContact O-N 3.42Å; T58-D61 PolarHBondContact OG1-N 2.95Å; T58-D61 VanDerWaalsContact OG1-N 3.09Å; T58-D61 PolarHBondContact OG1-OD2 3.32Å; T58-L62 WeakPolarHBondContact O-CB 3.42Å; T58-L62 PolarHBondContact O-N 3.22Å | ||
| 59 | V | 97 | Very high | 96.1 | Very high | 105 Ų | 105 | 90.7 Ų | 90.7 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.2 | -38.5 | 173.8 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | L62 V63 | V59-L62 PolarHBondContact O-N 3.47Å; V59-V63 HydrophobicContact CG1-CG2 4.29Å; V59-V63 WeakPolarHBondContact O-CB 3.41Å; V59-V63 VanDerWaalsContact O-CG2 3.26Å; V59-V63 WeakPolarHBondContact O-CG2 3.47Å; V59-V63 PolarHBondContact O-N 3.5Å |
| 60 | E | 97.1 | Very high | 96.2 | Very high | 131 Ų | 131 | 88.6 Ų | 88.6 | 61% | 0.612 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.1 | -47.4 | 177.9 | -67.4 | 69 | -155 | 0 | 0 | 111.3 | T58 L62 V63 V64 | T58-E60 PolarHBondContact O-N 2.85Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 3.01Å; E60-V63 PolarHBondContact O-N 2.8Å; E60-V64 WeakPolarHBondContact O-CG2 3.46Å; E60-V64 PolarHBondContact O-N 3.1Å |
| 61 | D | 95.2 | Very high | 96.2 | Very high | 73 Ų | 73 | 88.9 Ų | 88.9 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 175.8 | -62.1 | -45 | 0 | 0 | 0 | 111.2 | V57 T58 V64 E65 | V57-D61 HydrophobicContact CG2-CB 4.11Å; T58-D61 WeakPolarHBondContact CB-OD2 3.36Å; T58-D61 PolarHBondContact N-OD2 2.98Å; T58-D61 VanDerWaalsContact N-OD2 3.08Å; T58-D61 PolarHBondContact O-N 3.42Å; T58-D61 PolarHBondContact OG1-N 2.95Å; T58-D61 VanDerWaalsContact OG1-N 3.09Å; T58-D61 PolarHBondContact OG1-OD2 3.32Å; D61-V64 PolarHBondContact O-N 3.37Å; D61-E65 WeakPolarHBondContact O-CB 3.44Å; D61-E65 PolarHBondContact O-N 3.28Å |
| 62 | L | 96.7 | Very high | 96.3 | Very high | 30 Ų | 30 | 86.4 Ų | 86.4 | 16% | 0.157 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 178.6 | -172.5 | 63.9 | 0 | 0 | 0 | 111 | C45 V48 I49 V57 T58 V59 E60 V64 E65 I66 | C45-L62 HydrophobicContact CB-CD1 4.41Å; C45-L62 HydrophobicContact CB-CD2 4.41Å; V48-L62 HydrophobicContact CB-CD1 3.99Å; V48-L62 HydrophobicContact CG1-CD1 3.69Å; I49-L62 HydrophobicContact CD1-CD2 4.04Å; I49-L62 HydrophobicContact CG1-CD1 4.16Å; I49-L62 HydrophobicContact CG1-CD2 4.35Å; V57-L62 HydrophobicContact CG2-CB 4.1Å; T58-L62 WeakPolarHBondContact O-CB 3.42Å; T58-L62 PolarHBondContact O-N 3.22Å; V59-L62 PolarHBondContact O-N 3.47Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 3.01Å; L62-V64 VanDerWaalsContact C-N 3.34Å; L62-V64 PolarHBondContact O-N 2.91Å; L62-E65 PolarHBondContact O-N 3.24Å; L62-I66 HydrophobicContact CD1-CG2 3.83Å; L62-I66 HydrophobicContact CG-CD1 4.47Å; L62-I66 HydrophobicContact CG-CG2 4.22Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 WeakPolarHBondContact O-CG2 3.36Å; L62-I66 PolarHBondContact O-N 3.5Å |
| 63 | V | 97.8 | Very high | 96.5 | Very high | 72 Ų | 72 | 84.3 Ų | 84.3 | 44% | 0.436 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.9 | 167 | 0 | 0 | 0 | 0 | 110.9 | V59 E60 E65 T67 | V59-V63 HydrophobicContact CG1-CG2 4.29Å; V59-V63 WeakPolarHBondContact O-CB 3.41Å; V59-V63 VanDerWaalsContact O-CG2 3.26Å; V59-V63 WeakPolarHBondContact O-CG2 3.47Å; V59-V63 PolarHBondContact O-N 3.5Å; E60-V63 PolarHBondContact O-N 2.8Å; V63-E65 VanDerWaalsContact C-N 3.32Å; V63-E65 PolarHBondContact O-N 3.49Å; V63-T67 WeakPolarHBondContact O-CB 3.43Å; V63-T67 PolarHBondContact O-N 3.39Å; V63-T67 PolarHBondContact O-OG1 3.42Å |
| 64 | V | 97.3 | Very high | 96.7 | Very high | 107 Ų | 107 | 84.5 Ų | 84.5 | 65% | 0.648 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.6 | -46.1 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | E60 D61 L62 P68 | E60-V64 WeakPolarHBondContact O-CG2 3.46Å; E60-V64 PolarHBondContact O-N 3.1Å; D61-V64 PolarHBondContact O-N 3.37Å; L62-V64 VanDerWaalsContact C-N 3.34Å; L62-V64 PolarHBondContact O-N 2.91Å; V64-P68 VanDerWaalsContact O-CD 3.28Å; V64-P68 WeakPolarHBondContact O-CD 3.49Å |
| 65 | E | 95.5 | Very high | 96.9 | Very high | 87 Ų | 87 | 79.9 Ų | 79.9 | 41% | 0.407 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.6 | -46.1 | -177.6 | -159.6 | 70.5 | -137.6 | 0 | 0 | 112.8 | V48 K52 D61 L62 V63 P68 | V48-E65 HydrophobicContact CB-CG 4.47Å; V48-E65 HydrophobicContact CG1-CB 4.19Å; V48-E65 HydrophobicContact CG1-CG 3.79Å; V48-E65 HydrophobicContact CG2-CG 3.77Å; K52-E65 IonicContact NZ-OE2 2.72Å; K52-E65 PolarHBondContact NZ-OE2 3.44Å; D61-E65 WeakPolarHBondContact O-CB 3.44Å; D61-E65 PolarHBondContact O-N 3.28Å; L62-E65 PolarHBondContact O-N 3.24Å; V63-E65 VanDerWaalsContact C-N 3.32Å; V63-E65 PolarHBondContact O-N 3.49Å; E65-P68 WeakPolarHBondContact O-CD 3.48Å |
| 66 | I | 97.5 | Very high | 97.1 | Very high | 21 Ų | 21 | 75.9 Ų | 75.9 | 11% | 0.108 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -86.6 | -21.6 | -170.5 | 74.1 | -179.1 | 0 | 0 | 0 | 113.2 | L41 C45 V48 L62 K69 G70 | L41-I66 HydrophobicContact CD1-CB 4.01Å; L41-I66 HydrophobicContact CD1-CG1 4.39Å; C45-I66 WeakPolarHBondContact SG-CD1 3.37Å; V48-I66 HydrophobicContact CG2-CG2 4.44Å; L62-I66 HydrophobicContact CD1-CG2 3.83Å; L62-I66 HydrophobicContact CG-CD1 4.47Å; L62-I66 HydrophobicContact CG-CG2 4.22Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 WeakPolarHBondContact O-CG2 3.36Å; L62-I66 PolarHBondContact O-N 3.5Å; I66-K69 PolarHBondContact O-N 2.87Å; I66-G70 PolarHBondContact O-N 3.38Å |
| 67 | T | 98.2 | Very high | 97.4 | Very high | 47 Ų | 47 | 72.9 Ų | 72.9 | 29% | 0.288 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | -174.3 | -71.2 | 0 | 0 | 0 | 0 | 113 | V63 K69 G70 R71 | V63-T67 WeakPolarHBondContact O-CB 3.43Å; V63-T67 PolarHBondContact O-N 3.39Å; V63-T67 PolarHBondContact O-OG1 3.42Å; T67-K69 PolarHBondContact O-N 2.87Å; T67-G70 PolarHBondContact O-N 3.48Å; T67-R71 HydrophobicContact CG2-CG 4.39Å; T67-R71 WeakPolarHBondContact O-CG 3.47Å; T67-R71 PolarHBondContact O-N 2.97Å |
| 68 | P | 98.3 | Very high | 97.6 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 51% | 0.506 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.7 | -48.2 | 175.3 | -26.5 | 35.5 | 0 | 0 | 0 | 112.5 | V64 E65 G70 R71 V72 | V64-P68 VanDerWaalsContact O-CD 3.28Å; V64-P68 WeakPolarHBondContact O-CD 3.49Å; E65-P68 WeakPolarHBondContact O-CD 3.48Å; P68-G70 PolarHBondContact O-N 3.43Å; P68-R71 PolarHBondContact O-N 2.78Å; P68-V72 WeakPolarHBondContact O-CG2 3.34Å; P68-V72 PolarHBondContact O-N 3.03Å; P68-V72 VanDerWaalsContact O-N 3.13Å |
| 69 | K | 97.6 | Very high | 97.7 | Very high | 94 Ų | 94 | 73.6 Ų | 73.6 | 41% | 0.409 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.9 | -176.2 | 65.5 | 172.4 | -173.1 | 0 | 111.3 | I66 T67 R71 V72 L73 | I66-K69 PolarHBondContact O-N 2.87Å; T67-K69 PolarHBondContact O-N 2.87Å; K69-R71 VanDerWaalsContact C-N 3.29Å; K69-R71 PolarHBondContact O-N 3.09Å; K69-V72 PolarHBondContact O-N 3.34Å; K69-L73 HydrophobicContact CD-CD1 4.32Å; K69-L73 HydrophobicContact CD-CG 4.21Å; K69-L73 HydrophobicContact CG-CD1 3.95Å; K69-L73 HydrophobicContact CG-CG 4.26Å; K69-L73 VanDerWaalsContact O-CG 3.31Å; K69-L73 WeakPolarHBondContact O-CG 3.19Å; K69-L73 PolarHBondContact O-N 3.3Å |
| 70 | G | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 75.3 Ų | 75.3 | 6% | 0.062 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W37 I66 T67 P68 V74 | W37-G70 PolarHBondContact NE1-O 3.01Å; I66-G70 PolarHBondContact O-N 3.38Å; T67-G70 PolarHBondContact O-N 3.48Å; P68-G70 PolarHBondContact O-N 3.43Å; G70-V74 WeakPolarHBondContact O-CG2 3.32Å |
| 71 | R | 98.2 | Very high | 97.8 | Very high | 188 Ų | 188 | 71.8 Ų | 71.8 | 71% | 0.709 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.6 | -41.2 | 177.3 | -70.4 | 176.8 | -176 | -179 | 4.1 | 112.8 | T67 P68 K69 V74 | T67-R71 HydrophobicContact CG2-CG 4.39Å; T67-R71 WeakPolarHBondContact O-CG 3.47Å; T67-R71 PolarHBondContact O-N 2.97Å; P68-R71 PolarHBondContact O-N 2.78Å; K69-R71 VanDerWaalsContact C-N 3.29Å; K69-R71 PolarHBondContact O-N 3.09Å; R71-V74 PolarHBondContact O-N 3.12Å |
| 72 | V | 98 | Very high | 97.9 | Very high | 117 Ų | 117 | 69.7 Ų | 69.7 | 71% | 0.709 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.7 | -37.6 | 179.5 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | P68 K69 V74 | P68-V72 WeakPolarHBondContact O-CG2 3.34Å; P68-V72 PolarHBondContact O-N 3.03Å; P68-V72 VanDerWaalsContact O-N 3.13Å; K69-V72 PolarHBondContact O-N 3.34Å; V72-V74 PolarHBondContact O-N 3.35Å |
| 73 | L | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 71.9 Ų | 71.9 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -12.3 | -178.1 | -73.6 | 177.9 | 0 | 0 | 0 | 114.4 | W37 Q40 K69 P75 | W37-L73 VanDerWaalsContact CD1-CB 3.48Å; Q40-L73 HydrophobicContact CB-CD1 3.81Å; Q40-L73 VanDerWaalsContact OE1-CD2 3.26Å; K69-L73 HydrophobicContact CD-CD1 4.32Å; K69-L73 HydrophobicContact CD-CG 4.21Å; K69-L73 HydrophobicContact CG-CD1 3.95Å; K69-L73 HydrophobicContact CG-CG 4.26Å; K69-L73 VanDerWaalsContact O-CG 3.31Å; K69-L73 WeakPolarHBondContact O-CG 3.19Å; K69-L73 PolarHBondContact O-N 3.3Å; L73-P75 WeakPolarHBondContact O-CD 3.5Å |
| 74 | V | 98.5 | Very high | 98 | Very high | 29 Ų | 29 | 73.8 Ų | 73.8 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -72.1 | 114.5 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | L32 G70 R71 V72 K79 | L32-V74 HydrophobicContact CD2-CG1 4.17Å; L32-V74 HydrophobicContact CD2-CG2 4.19Å; G70-V74 WeakPolarHBondContact O-CG2 3.32Å; R71-V74 PolarHBondContact O-N 3.12Å; V72-V74 PolarHBondContact O-N 3.35Å; V74-K79 HydrophobicContact CG1-CG 4.01Å; V74-K79 WeakPolarHBondContact O-CE 3.31Å; V74-K79 PolarHBondContact O-NZ 3.09Å |
| 75 | P | 98.5 | Very high | 98 | Very high | 42 Ų | 42 | 74 Ų | 74 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | trans | -64.5 | 143.1 | -179.1 | -19.9 | 33.3 | 0 | 0 | 0 | 111.8 | C35 L73 S77 V78 K79 | C35-P75 HydrophobicContact CB-CG 4.36Å; L73-P75 WeakPolarHBondContact O-CD 3.5Å; P75-S77 PolarHBondContact O-N 2.94Å; P75-V78 HydrophobicContact CB-CG2 4.21Å; P75-V78 HydrophobicContact CG-CG2 4.2Å; P75-V78 WeakPolarHBondContact O-CB 3.4Å; P75-V78 PolarHBondContact O-N 2.87Å; P75-V78 VanDerWaalsContact O-N 3.07Å; P75-K79 PolarHBondContact O-N 3.37Å | ||
| 76 | D | 98.4 | Very high | 98.1 | Very high | 98 Ų | 98 | 72.2 Ų | 72.2 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.4 | -24.6 | 178 | -73.8 | -14.2 | 0 | 0 | 0 | 112.8 | V78 K79 K80 | D76-V78 VanDerWaalsContact C-N 3.32Å; D76-V78 PolarHBondContact O-N 3.27Å; D76-K79 PolarHBondContact O-N 2.94Å; D76-K79 IonicContact OD1-NZ 2.82Å; D76-K79 PolarHBondContact OD1-NZ 3.09Å; D76-K80 WeakPolarHBondContact O-CB 3.45Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.36Å |
| 77 | S | 98 | Very high | 98.1 | Very high | 81 Ų | 81 | 77.8 Ų | 77.8 | 57% | 0.566 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.1 | -42.1 | 171.2 | 52.5 | 0 | 0 | 0 | 0 | 112 | P75 K80 E81 | P75-S77 PolarHBondContact O-N 2.94Å; S77-K80 PolarHBondContact O-N 2.86Å; S77-E81 WeakPolarHBondContact O-CB 3.42Å; S77-E81 PolarHBondContact O-N 2.88Å |
| 78 | V | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 77.8 Ų | 77.8 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | L28 K31 P75 D76 K80 E81 L82 | L28-V78 HydrophobicContact CD1-CG1 3.74Å; K31-V78 HydrophobicContact CB-CG1 3.88Å; K31-V78 HydrophobicContact CB-CG2 4.01Å; P75-V78 HydrophobicContact CB-CG2 4.21Å; P75-V78 HydrophobicContact CG-CG2 4.2Å; P75-V78 WeakPolarHBondContact O-CB 3.4Å; P75-V78 PolarHBondContact O-N 2.87Å; P75-V78 VanDerWaalsContact O-N 3.07Å; D76-V78 VanDerWaalsContact C-N 3.32Å; D76-V78 PolarHBondContact O-N 3.27Å; V78-K80 PolarHBondContact O-N 3Å; V78-E81 PolarHBondContact O-N 3.25Å; V78-L82 HydrophobicContact CG1-CD1 4.34Å; V78-L82 PolarHBondContact O-N 2.96Å; V78-L82 VanDerWaalsContact O-N 3.1Å |
| 79 | K | 98.4 | Very high | 98 | Very high | 99 Ų | 99 | 74.4 Ų | 74.4 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.3 | -60 | 174.9 | -163.5 | 150.6 | 0 | 111.3 | V74 P75 D76 L82 L83 | V74-K79 HydrophobicContact CG1-CG 4.01Å; V74-K79 WeakPolarHBondContact O-CE 3.31Å; V74-K79 PolarHBondContact O-NZ 3.09Å; P75-K79 PolarHBondContact O-N 3.37Å; D76-K79 PolarHBondContact O-N 2.94Å; D76-K79 IonicContact OD1-NZ 2.82Å; D76-K79 PolarHBondContact OD1-NZ 3.09Å; K79-L82 PolarHBondContact O-N 3.49Å; K79-L83 WeakPolarHBondContact O-CB 3.49Å; K79-L83 PolarHBondContact O-N 3.45Å |
| 80 | K | 98.4 | Very high | 97.9 | Very high | 141 Ų | 141 | 72.3 Ų | 72.3 | 61% | 0.613 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 177.4 | -75.3 | 173.3 | -175.6 | 178.8 | 0 | 111.4 | D76 S77 V78 L82 L83 Q84 | D76-K80 WeakPolarHBondContact O-CB 3.45Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.36Å; S77-K80 PolarHBondContact O-N 2.86Å; V78-K80 PolarHBondContact O-N 3Å; K80-L82 PolarHBondContact O-N 3.29Å; K80-L83 PolarHBondContact O-N 3.44Å; K80-Q84 WeakPolarHBondContact O-CG 3.41Å; K80-Q84 PolarHBondContact O-N 3.32Å |
| 81 | E | 98.1 | Very high | 97.8 | Very high | 57 Ų | 57 | 75.5 Ų | 75.5 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 178.3 | -171.9 | 178 | 161.5 | 0 | 0 | 111.5 | K31 S77 V78 L83 Q84 R85 | K31-E81 WeakPolarHBondContact CE-OE1 3.44Å; K31-E81 WeakPolarHBondContact CE-OE2 3.24Å; K31-E81 IonicContact NZ-OE1 3.91Å; K31-E81 IonicContact NZ-OE2 3.17Å; K31-E81 PolarHBondContact NZ-OE2 2.92Å; S77-E81 WeakPolarHBondContact O-CB 3.42Å; S77-E81 PolarHBondContact O-N 2.88Å; V78-E81 PolarHBondContact O-N 3.25Å; E81-L83 PolarHBondContact O-N 2.95Å; E81-Q84 PolarHBondContact O-N 3.44Å; E81-R85 PolarHBondContact O-N 3.3Å; E81-R85 IonicContact OE1-CZ 2.71Å; E81-R85 IonicContact OE1-NE 3.84Å; E81-R85 IonicContact OE1-NH2 3.15Å; E81-R85 PolarHBondContact OE1-NH2 3.47Å; E81-R85 VanDerWaalsContact OE1-NH2 3.17Å |
| 82 | L | 98.3 | Very high | 97.6 | Very high | 29 Ų | 29 | 73.8 Ų | 73.8 | 15% | 0.152 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 176.6 | -75.5 | 166.3 | 0 | 0 | 0 | 112.3 | L24 L27 L28 V78 K79 K80 Q84 R85 I86 | L24-L82 HydrophobicContact CB-CD2 4.11Å; L24-L82 HydrophobicContact CD2-CD2 3.68Å; L24-L82 WeakPolarHBondContact O-CD2 3.28Å; L27-L82 HydrophobicContact CD2-CD2 3.96Å; L28-L82 HydrophobicContact CB-CD1 4.02Å; L28-L82 HydrophobicContact CB-CD2 4.46Å; L28-L82 HydrophobicContact CD1-CD1 3.73Å; L28-L82 HydrophobicContact CD2-CD1 4.43Å; L28-L82 HydrophobicContact CG-CD1 4.25Å; V78-L82 HydrophobicContact CG1-CD1 4.34Å; V78-L82 PolarHBondContact O-N 2.96Å; V78-L82 VanDerWaalsContact O-N 3.1Å; K79-L82 PolarHBondContact O-N 3.49Å; K80-L82 PolarHBondContact O-N 3.29Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 2.88Å; L82-R85 PolarHBondContact O-N 3.33Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 3.49Å |
| 83 | L | 98.2 | Very high | 97.3 | Very high | 76 Ų | 76 | 70.7 Ų | 70.7 | 40% | 0.398 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 178 | -179.7 | 60.5 | 0 | 0 | 0 | 111.9 | K79 K80 E81 I86 R87 | K79-L83 WeakPolarHBondContact O-CB 3.49Å; K79-L83 PolarHBondContact O-N 3.45Å; K80-L83 PolarHBondContact O-N 3.44Å; E81-L83 PolarHBondContact O-N 2.95Å; L83-I86 PolarHBondContact O-N 2.95Å; L83-R87 WeakPolarHBondContact O-CG 3.36Å; L83-R87 PolarHBondContact O-N 2.88Å |
| 84 | Q | 98.1 | Very high | 96.4 | Very high | 112 Ų | 112 | 73 Ų | 73 | 52% | 0.523 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.1 | -69.9 | -60.3 | -11.3 | 0 | 0 | 111.8 | K80 E81 L82 R87 A88 | K80-Q84 WeakPolarHBondContact O-CG 3.41Å; K80-Q84 PolarHBondContact O-N 3.32Å; E81-Q84 PolarHBondContact O-N 3.44Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 2.88Å; Q84-R87 PolarHBondContact O-N 3.14Å; Q84-A88 WeakPolarHBondContact O-CB 3.28Å; Q84-A88 PolarHBondContact O-N 3.3Å |
| 85 | R | 97.3 | Very high | 94.5 | Very high | 113 Ų | 113 | 80.9 Ų | 80.9 | 43% | 0.426 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.1 | -69 | -163.5 | -171.4 | -157.8 | 7.1 | 112.7 | L24 L27 E81 L82 R87 A88 F89 | L24-R85 HydrophobicContact CD2-CB 3.82Å; L27-R85 VanDerWaalsContact CD2-CD 3.45Å; E81-R85 PolarHBondContact O-N 3.3Å; E81-R85 IonicContact OE1-CZ 2.71Å; E81-R85 IonicContact OE1-NE 3.84Å; E81-R85 IonicContact OE1-NH2 3.15Å; E81-R85 PolarHBondContact OE1-NH2 3.47Å; E81-R85 VanDerWaalsContact OE1-NH2 3.17Å; L82-R85 PolarHBondContact O-N 3.33Å; R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 3.04Å; R85-A88 PolarHBondContact O-N 2.92Å; R85-F89 WeakPolarHBondContact O-CB 3.49Å; R85-F89 PolarHBondContact O-N 3.17Å |
| 86 | I | 97.3 | Very high | 94.3 | Very high | 49 Ų | 49 | 82.8 Ų | 82.8 | 25% | 0.251 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 174.6 | -68.1 | 165.4 | 0 | 0 | 0 | 110.6 | L24 L82 L83 F89 L90 | L24-I86 HydrophobicContact CD1-CD1 4.2Å; L24-I86 HydrophobicContact CD1-CG1 3.59Å; L24-I86 HydrophobicContact CD2-CG1 4.25Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 3.49Å; L83-I86 PolarHBondContact O-N 2.95Å; I86-F89 PolarHBondContact O-N 3.1Å; I86-L90 HydrophobicContact CG2-CD1 4Å; I86-L90 HydrophobicContact CG2-CG 4.46Å; I86-L90 WeakPolarHBondContact O-CB 3.38Å; I86-L90 VanDerWaalsContact O-CG 3.28Å; I86-L90 WeakPolarHBondContact O-CG 3.31Å; I86-L90 PolarHBondContact O-N 3.36Å |
| 87 | R | 97.1 | Very high | 94.1 | Very high | 137 Ų | 137 | 82 Ų | 82 | 52% | 0.517 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 177.6 | -75.2 | 174.8 | 174.7 | 158 | -2.9 | 112.4 | L83 Q84 R85 L90 A91 | L83-R87 WeakPolarHBondContact O-CG 3.36Å; L83-R87 PolarHBondContact O-N 2.88Å; Q84-R87 PolarHBondContact O-N 3.14Å; R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 3.04Å; R87-L90 PolarHBondContact O-N 2.56Å; R87-A91 WeakPolarHBondContact O-CB 3.4Å; R87-A91 PolarHBondContact O-N 2.71Å |
| 88 | A | 97.2 | Very high | 93.8 | Very high | 47 Ų | 47 | 82.1 Ų | 82.1 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q84 R85 L90 A91 Q92 | Q84-A88 WeakPolarHBondContact O-CB 3.28Å; Q84-A88 PolarHBondContact O-N 3.3Å; R85-A88 PolarHBondContact O-N 2.92Å; A88-L90 PolarHBondContact O-N 2.87Å; A88-A91 PolarHBondContact O-N 2.78Å; A88-Q92 WeakPolarHBondContact O-CB 3.12Å; A88-Q92 VanDerWaalsContact O-CG 3.31Å; A88-Q92 WeakPolarHBondContact O-CG 3.02Å; A88-Q92 PolarHBondContact O-N 3.42Å |
| 89 | F | 97.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 86.4 Ų | 86.4 | 3% | 0.031 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 174.8 | 171.8 | -93.6 | 0 | 0 | 0 | 111.6 | K14 L15 M18 E20 R85 I86 A91 Q92 H93 | K14-F89 HydrophobicContact CD-CE1 4.43Å; K14-F89 HydrophobicContact CG-CE1 4.02Å; K14-F89 HydrophobicContact CG-CZ 4.16Å; L15-F89 HydrophobicContact CD2-CD1 3.46Å; L15-F89 VanDerWaalsContact CD2-CD1 3.46Å; L15-F89 HydrophobicContact CD2-CE1 3.6Å; L15-F89 HydrophobicContact CD2-CG 4.17Å; L15-F89 HydrophobicContact CD2-CZ 4.41Å; L15-F89 HydrophobicContact CG-CD1 4.46Å; L15-F89 HydrophobicContact CG-CE1 4.26Å; M18-F89 HydrophobicContact CB-CE2 3.9Å; M18-F89 HydrophobicContact CB-CZ 3.74Å; M18-F89 HydrophobicContact CE-CE2 4.4Å; M18-F89 HydrophobicContact CG-CE2 4.45Å; M18-F89 HydrophobicContact CG-CZ 4Å; M18-F89 HydrophobicContact SD-CE2 3.91Å; M18-F89 HydrophobicContact SD-CZ 3.53Å; M18-F89 VanDerWaalsContact SD-CZ 3.53Å; E20-F89 HydrophobicContact CB-CD2 3.92Å; E20-F89 HydrophobicContact CB-CE1 4.5Å; E20-F89 HydrophobicContact CB-CE2 3.77Å; E20-F89 HydrophobicContact CB-CG 4.34Å; E20-F89 HydrophobicContact CB-CZ 4.08Å; E20-F89 HydrophobicContact CG-CB 4.22Å; E20-F89 HydrophobicContact CG-CD1 4.27Å; E20-F89 HydrophobicContact CG-CD2 3.69Å; E20-F89 HydrophobicContact CG-CE2 4.1Å; E20-F89 HydrophobicContact CG-CG 3.79Å; R85-F89 WeakPolarHBondContact O-CB 3.49Å; R85-F89 PolarHBondContact O-N 3.17Å; I86-F89 PolarHBondContact O-N 3.1Å; F89-A91 VanDerWaalsContact C-N 3.34Å; F89-A91 PolarHBondContact O-N 3.04Å; F89-Q92 PolarHBondContact O-N 3.43Å; F89-H93 AromaticContact CD2-CE1 3.63Å; F89-H93 AromaticContact CD2-ND1 3.59Å; F89-H93 AromaticContact CE2-CE1 3.56Å; F89-H93 AromaticContact CE2-ND1 3.59Å; F89-H93 PolarHBondContact O-N 3.36Å; F89-H93 VanDerWaalsContact O-N 3.16Å; F89-H93 PolarHBondContact O-ND1 3.45Å |
| 90 | L | 95.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 85.6 Ų | 85.6 | 26% | 0.262 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 179.3 | -70.5 | 175.4 | 0 | 0 | 0 | 112.3 | I11 I86 R87 A88 H93 A94 | I11-L90 HydrophobicContact CD1-CD1 4.09Å; I11-L90 HydrophobicContact CG1-CD1 4.2Å; I11-L90 HydrophobicContact CG1-CD2 4.14Å; I11-L90 HydrophobicContact CG2-CD1 4.1Å; I11-L90 HydrophobicContact CG2-CD2 4.17Å; I86-L90 HydrophobicContact CG2-CD1 4Å; I86-L90 HydrophobicContact CG2-CG 4.46Å; I86-L90 WeakPolarHBondContact O-CB 3.38Å; I86-L90 VanDerWaalsContact O-CG 3.28Å; I86-L90 WeakPolarHBondContact O-CG 3.31Å; I86-L90 PolarHBondContact O-N 3.36Å; R87-L90 PolarHBondContact O-N 2.56Å; A88-L90 PolarHBondContact O-N 2.87Å; L90-H93 CarbonylContact O-C 3.49Å; L90-H93 PolarHBondContact O-N 3.16Å; L90-A94 PolarHBondContact O-N 3.32Å |
| 91 | A | 95.6 | Very high | 92.9 | Very high | 74 Ų | 74 | 81.9 Ų | 81.9 | 61% | 0.612 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R87 A88 F89 H93 A94 | R87-A91 WeakPolarHBondContact O-CB 3.4Å; R87-A91 PolarHBondContact O-N 2.71Å; A88-A91 PolarHBondContact O-N 2.78Å; F89-A91 VanDerWaalsContact C-N 3.34Å; F89-A91 PolarHBondContact O-N 3.04Å; A91-H93 PolarHBondContact O-N 2.8Å; A91-A94 PolarHBondContact O-N 2.92Å |
| 92 | Q | 95 | Very high | 92.6 | Very high | 151 Ų | 151 | 83.7 Ų | 83.7 | 71% | 0.706 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.5 | -26.4 | 177.9 | -74.4 | 173 | -2.4 | 0 | 0 | 113.3 | A88 F89 | A88-Q92 WeakPolarHBondContact O-CB 3.12Å; A88-Q92 VanDerWaalsContact O-CG 3.31Å; A88-Q92 WeakPolarHBondContact O-CG 3.02Å; A88-Q92 PolarHBondContact O-N 3.42Å; F89-Q92 PolarHBondContact O-N 3.43Å |
| 93 | H | 92.4 | Very high | 92.1 | Very high | 52 Ų | 52 | 87.9 Ų | 87.9 | 24% | 0.241 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 20.5 | -178.4 | -56.3 | 85 | 0 | 0 | 0 | 111.9 | K14 M18 F89 L90 A91 T95 | K14-H93 PolarHBondContact NZ-O 3.36Å; M18-H93 WeakPolarHBondContact CE-CD2 3.21Å; M18-H93 WeakPolarHBondContact CE-NE2 3.5Å; M18-H93 VanDerWaalsContact SD-CD2 3.58Å; F89-H93 AromaticContact CD2-CE1 3.63Å; F89-H93 AromaticContact CD2-ND1 3.59Å; F89-H93 AromaticContact CE2-CE1 3.56Å; F89-H93 AromaticContact CE2-ND1 3.59Å; F89-H93 PolarHBondContact O-N 3.36Å; F89-H93 VanDerWaalsContact O-N 3.16Å; F89-H93 PolarHBondContact O-ND1 3.45Å; L90-H93 CarbonylContact O-C 3.49Å; L90-H93 PolarHBondContact O-N 3.16Å; A91-H93 PolarHBondContact O-N 2.8Å; H93-T95 PolarHBondContact O-N 2.97Å |
| 94 | A | 78.3 | Confident | 91.6 | Very high | 82 Ų | 82 | 88.9 Ų | 88.9 | 68% | 0.678 | 49% | 0.485 | S | S | * | . | trans | -75.1 | 75 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L90 A91 | L90-A94 PolarHBondContact O-N 3.32Å; A91-A94 PolarHBondContact O-N 2.92Å | ||
| 95 | T | 58.2 | Low | 91 | Very high | 193 Ų | 193 | 86.8 Ų | 86.8 | 100% | 1.184 | 48% | 0.481 | S | S | * | . | trans | -112.9 | 0 | 161.9 | 38.9 | 0 | 0 | 0 | 0 | 108.5 | H93 | H93-T95 PolarHBondContact O-N 2.97Š|
Retrieved 95 of 95 residues in 146.2 ms
(Link to these results)