| 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 | 53.5 | Low | 77.9 | Confident | 164 Ų | 164 | 105.4 Ų | 105.4 | 81% | 0.808 | 54% | 0.541 | S | S | * | . | 0 | -33.3 | 0 | -78.4 | 176.7 | 175.1 | 0 | 0 | 112.2 | I3 N4 | M1-I3 PolarHBondContact O-N 3.4Å; M1-N4 PolarHBondContact O-N 3.2Å | |||
| 2 | A | 59.7 | Low | 79.2 | Confident | 68 Ų | 68 | 100.3 Ų | 100.3 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -52.2 | -38.6 | 180 | 0 | 0 | 0 | 0 | 0 | 116.8 | N4 E5 E6 | A2-N4 PolarHBondContact O-N 3.02Å; A2-N4 VanDerWaalsContact O-N 3.09Å; A2-E5 PolarHBondContact O-N 3.16Å; A2-E5 VanDerWaalsContact O-N 3.09Å; A2-E6 PolarHBondContact O-N 3.22Å; A2-E6 VanDerWaalsContact O-N 3.16Å |
| 3 | I | 61.9 | Low | 80.4 | Confident | 127 Ų | 127 | 98.5 Ų | 98.5 | 65% | 0.651 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -56.2 | -33.8 | -177.5 | -59.8 | 170.5 | 0 | 0 | 0 | 111.9 | M1 N7 | M1-I3 PolarHBondContact O-N 3.4Å; I3-N7 WeakPolarHBondContact O-CB 3.43Å; I3-N7 PolarHBondContact O-N 3.39Å; I3-N7 PolarHBondContact O-ND2 3.34Å |
| 4 | N | 71.8 | Confident | 81.5 | Confident | 70 Ų | 70 | 102.6 Ų | 102.6 | 37% | 0.374 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -77.6 | -36.8 | -178.6 | -68.2 | -27.2 | 0 | 0 | 0 | 112.5 | M1 A2 N7 F8 K132 | M1-N4 PolarHBondContact O-N 3.2Å; A2-N4 PolarHBondContact O-N 3.02Å; A2-N4 VanDerWaalsContact O-N 3.09Å; N4-N7 PolarHBondContact O-N 3.5Å; N4-F8 HydrophobicContact CB-CE2 4.39Å; N4-F8 WeakPolarHBondContact O-CD2 2.99Å; N4-F8 PolarHBondContact O-N 3.43Å; N4-F8 VanDerWaalsContact O-N 3.09Å; N4-K132 VanDerWaalsContact CB-NZ 3.34Å; N4-K132 VanDerWaalsContact CG-NZ 3.34Å; N4-K132 PolarHBondContact ND2-NZ 3.39Å |
| 5 | E | 76.8 | Confident | 82.5 | Confident | 133 Ų | 133 | 96.9 Ų | 96.9 | 62% | 0.621 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.8 | -43.4 | 179.2 | -71.1 | 169 | -159.3 | 0 | 0 | 111.1 | A2 N7 F8 G9 | A2-E5 PolarHBondContact O-N 3.16Å; A2-E5 VanDerWaalsContact O-N 3.09Å; E5-N7 VanDerWaalsContact C-N 3.31Å; E5-N7 PolarHBondContact O-N 2.95Å; E5-F8 PolarHBondContact O-N 2.93Å; E5-G9 PolarHBondContact O-N 3.34Å |
| 6 | E | 82.3 | Confident | 83.3 | Confident | 152 Ų | 152 | 94.6 Ų | 94.6 | 71% | 0.71 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 176.1 | -165.4 | 177.3 | -173.1 | 0 | 0 | 111.5 | A2 G9 R10 | A2-E6 PolarHBondContact O-N 3.22Å; A2-E6 VanDerWaalsContact O-N 3.16Å; E6-G9 PolarHBondContact O-N 3.26Å; E6-R10 WeakPolarHBondContact O-CB 3.44Å; E6-R10 PolarHBondContact O-N 3.44Å |
| 7 | N | 86.8 | Confident | 84.1 | Confident | 87 Ų | 87 | 92.1 Ų | 92.1 | 47% | 0.465 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 175.6 | -72.6 | -20.7 | 0 | 0 | 0 | 112.6 | I3 N4 E5 R10 L11 | I3-N7 WeakPolarHBondContact O-CB 3.43Å; I3-N7 PolarHBondContact O-N 3.39Å; I3-N7 PolarHBondContact O-ND2 3.34Å; N4-N7 PolarHBondContact O-N 3.5Å; E5-N7 VanDerWaalsContact C-N 3.31Å; E5-N7 PolarHBondContact O-N 2.95Å; N7-R10 PolarHBondContact O-N 3.06Å; N7-L11 WeakPolarHBondContact O-CB 3.44Å; N7-L11 PolarHBondContact O-N 3.46Å |
| 8 | F | 88.8 | Confident | 84.8 | Confident | 44 Ų | 44 | 89.2 Ų | 89.2 | 19% | 0.193 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 176.9 | -71.3 | -62.1 | 0 | 0 | 0 | 112.3 | N4 E5 L11 L12 T125 L128 V129 K132 | N4-F8 HydrophobicContact CB-CE2 4.39Å; N4-F8 WeakPolarHBondContact O-CD2 2.99Å; N4-F8 PolarHBondContact O-N 3.43Å; N4-F8 VanDerWaalsContact O-N 3.09Å; E5-F8 PolarHBondContact O-N 2.93Å; F8-L11 PolarHBondContact O-N 2.81Å; F8-L12 WeakPolarHBondContact O-CB 3.21Å; F8-L12 WeakPolarHBondContact O-CG 3.39Å; F8-L12 PolarHBondContact O-N 3.4Å; F8-T125 HydrophobicContact CD1-CG2 4.29Å; F8-L128 HydrophobicContact CE1-CB 4.48Å; F8-V129 HydrophobicContact CB-CG2 3.63Å; F8-V129 HydrophobicContact CD1-CG2 3.79Å; F8-V129 HydrophobicContact CD2-CG2 3.92Å; F8-V129 HydrophobicContact CE1-CG2 4.42Å; F8-V129 HydrophobicContact CG-CG2 3.52Å; F8-K132 HydrophobicContact CE2-CD 4.04Å |
| 9 | G | 89.7 | Confident | 85.5 | Confident | 41 Ų | 41 | 85.3 Ų | 85.3 | 42% | 0.423 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E5 E6 L11 L12 S13 | E5-G9 PolarHBondContact O-N 3.34Å; E6-G9 PolarHBondContact O-N 3.26Å; G9-L11 PolarHBondContact O-N 2.97Å; G9-L12 PolarHBondContact O-N 3.46Å; G9-S13 WeakPolarHBondContact O-CB 3.43Å; G9-S13 PolarHBondContact O-N 3.05Å |
| 10 | R | 92.6 | Very high | 86.1 | Confident | 198 Ų | 198 | 86.4 Ų | 86.4 | 75% | 0.747 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 174.6 | -177.7 | -179.7 | 174.5 | -174.2 | -0.9 | 112.1 | E6 N7 S13 R14 | E6-R10 WeakPolarHBondContact O-CB 3.44Å; E6-R10 PolarHBondContact O-N 3.44Å; N7-R10 PolarHBondContact O-N 3.06Å; R10-S13 PolarHBondContact O-N 3Å; R10-R14 WeakPolarHBondContact O-CB 3.23Å; R10-R14 PolarHBondContact O-N 3.06Å |
| 11 | L | 93.5 | Very high | 86.6 | Confident | 75 Ų | 75 | 85.7 Ų | 85.7 | 39% | 0.393 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 178.3 | 178 | 59.7 | 0 | 0 | 0 | 111.7 | N7 F8 G9 R14 Q15 T125 | N7-L11 WeakPolarHBondContact O-CB 3.44Å; N7-L11 PolarHBondContact O-N 3.46Å; F8-L11 PolarHBondContact O-N 2.81Å; G9-L11 PolarHBondContact O-N 2.97Å; L11-R14 PolarHBondContact O-N 2.73Å; L11-Q15 HydrophobicContact CD1-CG 4.26Å; L11-Q15 VanDerWaalsContact O-CG 3.32Å; L11-Q15 WeakPolarHBondContact O-CG 3.34Å; L11-Q15 PolarHBondContact O-N 3.32Å; L11-T125 HydrophobicContact CD2-CG2 3.72Å; L11-T125 HydrophobicContact CG-CG2 4.15Å |
| 12 | L | 93.8 | Very high | 88.7 | Confident | 44 Ų | 44 | 78 Ų | 78 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 177 | -75.2 | 170.3 | 0 | 0 | 0 | 111.1 | F8 G9 R14 Q15 T16 I122 T125 K126 | F8-L12 WeakPolarHBondContact O-CB 3.21Å; F8-L12 WeakPolarHBondContact O-CG 3.39Å; F8-L12 PolarHBondContact O-N 3.4Å; G9-L12 PolarHBondContact O-N 3.46Å; L12-R14 VanDerWaalsContact C-N 3.27Å; L12-R14 PolarHBondContact O-N 2.99Å; L12-Q15 PolarHBondContact O-N 3.4Å; L12-T16 WeakPolarHBondContact O-CG2 3.5Å; L12-T16 PolarHBondContact O-N 2.87Å; L12-T16 PolarHBondContact O-OG1 2.83Å; L12-T16 VanDerWaalsContact O-OG1 3.12Å; L12-I122 HydrophobicContact CD2-CG2 4.26Å; L12-T125 HydrophobicContact CD2-CG2 3.8Å; L12-T125 HydrophobicContact CG-CG2 3.94Å; L12-K126 HydrophobicContact CD2-CG 4.17Å |
| 13 | S | 94.5 | Very high | 90.5 | Very high | 77 Ų | 77 | 78.2 Ų | 78.2 | 54% | 0.538 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.8 | -40 | 176 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | G9 R10 T16 S17 | G9-S13 WeakPolarHBondContact O-CB 3.43Å; G9-S13 PolarHBondContact O-N 3.05Å; R10-S13 PolarHBondContact O-N 3Å; S13-T16 WeakPolarHBondContact CA-OG1 3.37Å; S13-T16 PolarHBondContact O-OG1 2.9Å; S13-S17 WeakPolarHBondContact O-CB 3.34Å; S13-S17 PolarHBondContact O-N 2.89Å; S13-S17 VanDerWaalsContact O-N 3.12Å |
| 14 | R | 95.7 | Very high | 92.2 | Very high | 157 Ų | 157 | 78.4 Ų | 78.4 | 59% | 0.592 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.9 | -48 | 175.7 | 179.1 | 61.7 | -166.3 | -155.2 | 10 | 111.8 | R10 L11 L12 T16 S17 D18 | R10-R14 WeakPolarHBondContact O-CB 3.23Å; R10-R14 PolarHBondContact O-N 3.06Å; L11-R14 PolarHBondContact O-N 2.73Å; L12-R14 VanDerWaalsContact C-N 3.27Å; L12-R14 PolarHBondContact O-N 2.99Å; R14-T16 VanDerWaalsContact C-N 3.34Å; R14-T16 PolarHBondContact O-N 3.49Å; R14-S17 PolarHBondContact O-N 3.19Å; R14-D18 IonicContact CZ-OD1 3.58Å; R14-D18 VanDerWaalsContact CZ-OD1 3.31Å; R14-D18 IonicContact NE-OD1 2.73Å; R14-D18 PolarHBondContact NE-OD1 3.19Å; R14-D18 IonicContact NE-OD2 3.38Å; R14-D18 PolarHBondContact NE-OD2 3.02Å; R14-D18 VanDerWaalsContact NE-OD2 3.16Å; R14-D18 IonicContact NH2-OD1 3.71Å; R14-D18 PolarHBondContact NH2-OD1 3.45Å; R14-D18 VanDerWaalsContact O-CG 3.29Å; R14-D18 PolarHBondContact O-N 2.93Å |
| 15 | Q | 96 | Very high | 93.5 | Very high | 17 Ų | 17 | 78.3 Ų | 78.3 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 180 | -70.4 | 168.7 | -14.2 | 0 | 0 | 112 | L11 L12 D18 I19 I122 T125 | L11-Q15 HydrophobicContact CD1-CG 4.26Å; L11-Q15 VanDerWaalsContact O-CG 3.32Å; L11-Q15 WeakPolarHBondContact O-CG 3.34Å; L11-Q15 PolarHBondContact O-N 3.32Å; L12-Q15 PolarHBondContact O-N 3.4Å; Q15-D18 PolarHBondContact O-N 3.17Å; Q15-I19 WeakPolarHBondContact O-CG1 3.33Å; Q15-I19 PolarHBondContact O-N 2.75Å; Q15-I122 HydrophobicContact CB-CD1 3.9Å; Q15-I122 HydrophobicContact CB-CG1 3.53Å; Q15-I122 HydrophobicContact CG-CG1 4.29Å; Q15-T125 PolarHBondContact NE2-OG1 3.47Å; Q15-T125 PolarHBondContact OE1-OG1 3.44Å |
| 16 | T | 96.1 | Very high | 94.5 | Very high | 60 Ų | 60 | 72.8 Ų | 72.8 | 37% | 0.368 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | L12 S13 R14 D18 I19 E20 I122 | L12-T16 WeakPolarHBondContact O-CG2 3.5Å; L12-T16 PolarHBondContact O-N 2.87Å; L12-T16 PolarHBondContact O-OG1 2.83Å; L12-T16 VanDerWaalsContact O-OG1 3.12Å; S13-T16 WeakPolarHBondContact CA-OG1 3.37Å; S13-T16 PolarHBondContact O-OG1 2.9Å; R14-T16 VanDerWaalsContact C-N 3.34Å; R14-T16 PolarHBondContact O-N 3.49Å; T16-D18 PolarHBondContact O-N 2.9Å; T16-I19 PolarHBondContact O-N 3.45Å; T16-E20 WeakPolarHBondContact O-CG 3.36Å; T16-E20 PolarHBondContact O-N 2.9Å; T16-I122 HydrophobicContact CG2-CD1 4.07Å |
| 17 | S | 97 | Very high | 95.2 | Very high | 52 Ų | 52 | 71 Ų | 71 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | S13 R14 I19 E20 T21 | S13-S17 WeakPolarHBondContact O-CB 3.34Å; S13-S17 PolarHBondContact O-N 2.89Å; S13-S17 VanDerWaalsContact O-N 3.12Å; R14-S17 PolarHBondContact O-N 3.19Å; S17-I19 VanDerWaalsContact C-N 3.3Å; S17-I19 PolarHBondContact O-N 3.4Å; S17-E20 PolarHBondContact O-N 3.26Å; S17-T21 WeakPolarHBondContact O-CG2 3.46Å; S17-T21 PolarHBondContact O-N 2.76Å; S17-T21 PolarHBondContact O-OG1 2.94Å; S17-T21 VanDerWaalsContact O-OG1 3.07Å |
| 18 | D | 96.9 | Very high | 95.7 | Very high | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.214 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.4 | -33.1 | 175.8 | -67.8 | -29.1 | 0 | 0 | 0 | 111.5 | R14 Q15 T16 T21 T22 L118 | R14-D18 IonicContact CZ-OD1 3.58Å; R14-D18 VanDerWaalsContact CZ-OD1 3.31Å; R14-D18 IonicContact NE-OD1 2.73Å; R14-D18 PolarHBondContact NE-OD1 3.19Å; R14-D18 IonicContact NE-OD2 3.38Å; R14-D18 PolarHBondContact NE-OD2 3.02Å; R14-D18 VanDerWaalsContact NE-OD2 3.16Å; R14-D18 IonicContact NH2-OD1 3.71Å; R14-D18 PolarHBondContact NH2-OD1 3.45Å; R14-D18 VanDerWaalsContact O-CG 3.29Å; R14-D18 PolarHBondContact O-N 2.93Å; Q15-D18 PolarHBondContact O-N 3.17Å; T16-D18 PolarHBondContact O-N 2.9Å; D18-T21 WeakPolarHBondContact CA-OG1 3.41Å; D18-T21 PolarHBondContact O-OG1 3.48Å; D18-T22 WeakPolarHBondContact O-CB 3.46Å; D18-T22 PolarHBondContact O-N 3.44Å; D18-T22 VanDerWaalsContact O-N 3.13Å; D18-T22 PolarHBondContact O-OG1 3.41Å; D18-L118 HydrophobicContact CB-CD1 4.17Å; D18-L118 HydrophobicContact CB-CD2 4.33Å |
| 19 | I | 97.4 | Very high | 96.1 | Very high | 14 Ų | 14 | 66.9 Ų | 66.9 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.1 | -48.4 | 171.8 | -70.7 | 180 | 0 | 0 | 0 | 111.1 | Q15 T16 S17 T21 T22 E23 L118 N119 I122 | Q15-I19 WeakPolarHBondContact O-CG1 3.33Å; Q15-I19 PolarHBondContact O-N 2.75Å; T16-I19 PolarHBondContact O-N 3.45Å; S17-I19 VanDerWaalsContact C-N 3.3Å; S17-I19 PolarHBondContact O-N 3.4Å; I19-T21 VanDerWaalsContact C-N 3.3Å; I19-T21 PolarHBondContact O-N 3.3Å; I19-T22 WeakPolarHBondContact O-CB 3.31Å; I19-T22 PolarHBondContact O-N 3.2Å; I19-T22 VanDerWaalsContact O-N 3.13Å; I19-E23 HydrophobicContact CG2-CG 4.21Å; I19-E23 WeakPolarHBondContact O-CG 3.43Å; I19-E23 PolarHBondContact O-N 3.44Å; I19-L118 HydrophobicContact CD1-CB 4.01Å; I19-L118 HydrophobicContact CG1-CB 3.57Å; I19-L118 HydrophobicContact CG1-CD1 4.03Å; I19-L118 HydrophobicContact CG1-CG 4.41Å; I19-N119 WeakPolarHBondContact CD1-OD1 3.27Å; I19-I122 HydrophobicContact CD1-CD1 3.28Å; I19-I122 HydrophobicContact CD1-CG1 4.31Å; I19-I122 HydrophobicContact CG1-CD1 4.33Å |
| 20 | E | 97.5 | Very high | 96.5 | Very high | 108 Ų | 108 | 68.7 Ų | 68.7 | 51% | 0.505 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | -180 | -73.3 | 171.4 | -171.9 | 0 | 0 | 111.7 | T16 S17 E23 Q24 | T16-E20 WeakPolarHBondContact O-CG 3.36Å; T16-E20 PolarHBondContact O-N 2.9Å; S17-E20 PolarHBondContact O-N 3.26Å; E20-E23 PolarHBondContact O-N 3.14Å; E20-Q24 VanDerWaalsContact O-CG 3.3Å; E20-Q24 WeakPolarHBondContact O-CG 3.28Å; E20-Q24 PolarHBondContact O-N 3.45Å |
| 21 | T | 97.5 | Very high | 96.7 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 44% | 0.442 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 175.8 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | S17 D18 I19 E23 Q24 E25 | S17-T21 WeakPolarHBondContact O-CG2 3.46Å; S17-T21 PolarHBondContact O-N 2.76Å; S17-T21 PolarHBondContact O-OG1 2.94Å; S17-T21 VanDerWaalsContact O-OG1 3.07Å; D18-T21 WeakPolarHBondContact CA-OG1 3.41Å; D18-T21 PolarHBondContact O-OG1 3.48Å; I19-T21 VanDerWaalsContact C-N 3.3Å; I19-T21 PolarHBondContact O-N 3.3Å; T21-E23 VanDerWaalsContact C-N 3.34Å; T21-E23 PolarHBondContact O-N 3.15Å; T21-Q24 PolarHBondContact O-N 3.39Å; T21-E25 PolarHBondContact O-N 3.18Å |
| 22 | T | 97.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 175 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | D18 I19 E25 I26 L111 Q114 K115 | D18-T22 WeakPolarHBondContact O-CB 3.46Å; D18-T22 PolarHBondContact O-N 3.44Å; D18-T22 VanDerWaalsContact O-N 3.13Å; D18-T22 PolarHBondContact O-OG1 3.41Å; I19-T22 WeakPolarHBondContact O-CB 3.31Å; I19-T22 PolarHBondContact O-N 3.2Å; I19-T22 VanDerWaalsContact O-N 3.13Å; T22-E25 PolarHBondContact O-N 2.8Å; T22-I26 HydrophobicContact CG2-CD1 4.21Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.38Å; T22-I26 PolarHBondContact O-N 3.17Å; T22-L111 HydrophobicContact CG2-CB 4.42Å; T22-L111 HydrophobicContact CG2-CD2 4.19Å; T22-Q114 HydrophobicContact CG2-CG 4.45Å; T22-Q114 PolarHBondContact OG1-NE2 2.91Å; T22-K115 HydrophobicContact CG2-CB 4.11Å |
| 23 | E | 97.6 | Very high | 97 | Very high | 72 Ų | 72 | 65.7 Ų | 65.7 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 177 | -73.9 | -176.8 | 161.1 | 0 | 0 | 112.5 | I19 E20 T21 E25 I26 I27 K115 | I19-E23 HydrophobicContact CG2-CG 4.21Å; I19-E23 WeakPolarHBondContact O-CG 3.43Å; I19-E23 PolarHBondContact O-N 3.44Å; E20-E23 PolarHBondContact O-N 3.14Å; T21-E23 VanDerWaalsContact C-N 3.34Å; T21-E23 PolarHBondContact O-N 3.15Å; E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.92Å; E23-I26 PolarHBondContact O-N 3.43Å; E23-I27 VanDerWaalsContact O-CG1 3.31Å; E23-I27 WeakPolarHBondContact O-CG1 3.43Å; E23-I27 PolarHBondContact O-N 2.96Å; E23-K115 HydrophobicContact CG-CD 4.13Å; E23-K115 WeakPolarHBondContact OE1-CE 3.1Å; E23-K115 IonicContact OE1-NZ 3.88Å; E23-K115 PolarHBondContact OE1-NZ 2.88Å |
| 24 | Q | 97.7 | Very high | 97.1 | Very high | 130 Ų | 130 | 65.3 Ų | 65.3 | 61% | 0.607 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | 174.5 | -72.6 | 173.7 | 6.1 | 0 | 0 | 111.6 | E20 T21 I27 S28 | E20-Q24 VanDerWaalsContact O-CG 3.3Å; E20-Q24 WeakPolarHBondContact O-CG 3.28Å; E20-Q24 PolarHBondContact O-N 3.45Å; T21-Q24 PolarHBondContact O-N 3.39Å; Q24-I27 PolarHBondContact O-N 2.91Å; Q24-S28 PolarHBondContact O-N 2.92Å |
| 25 | E | 97.2 | Very high | 97.2 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 32% | 0.318 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 176.3 | -169.1 | 173.8 | -177.1 | 0 | 0 | 111.4 | T21 T22 E23 I27 S28 L29 K107 L111 | T21-E25 PolarHBondContact O-N 3.18Å; T22-E25 PolarHBondContact O-N 2.8Å; E23-E25 VanDerWaalsContact C-N 3.29Å; E23-E25 PolarHBondContact O-N 2.92Å; E25-I27 PolarHBondContact O-N 3.19Å; E25-S28 PolarHBondContact O-N 3.41Å; E25-S28 PolarHBondContact O-OG 3.29Å; E25-L29 HydrophobicContact CG-CD1 4.04Å; E25-L29 HydrophobicContact CG-CG 4.42Å; E25-L29 WeakPolarHBondContact O-CG 3.49Å; E25-L29 PolarHBondContact O-N 3.29Å; E25-K107 WeakPolarHBondContact OE1-CE 3.2Å; E25-K107 IonicContact OE1-NZ 3.23Å; E25-K107 PolarHBondContact OE1-NZ 2.92Å; E25-L111 HydrophobicContact CB-CD1 4.25Å; E25-L111 HydrophobicContact CG-CD1 3.73Å; E25-L111 WeakPolarHBondContact OE2-CD2 3.39Å |
| 26 | I | 98 | Very high | 97.2 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 9% | 0.087 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.6 | -50.7 | 175.4 | -70.5 | 166.4 | 0 | 0 | 0 | 110.6 | T22 E23 S28 L29 E30 L108 L111 R112 K115 | T22-I26 HydrophobicContact CG2-CD1 4.21Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.38Å; T22-I26 PolarHBondContact O-N 3.17Å; E23-I26 PolarHBondContact O-N 3.43Å; I26-S28 VanDerWaalsContact C-N 3.27Å; I26-S28 PolarHBondContact O-N 2.9Å; I26-L29 PolarHBondContact O-N 2.83Å; I26-E30 HydrophobicContact CG2-CG 4.29Å; I26-E30 WeakPolarHBondContact O-CG 3.46Å; I26-E30 PolarHBondContact O-N 3.49Å; I26-L108 HydrophobicContact CG2-CD2 4.13Å; I26-L111 HydrophobicContact CD1-CB 4.16Å; I26-L111 HydrophobicContact CG1-CB 3.74Å; I26-L111 HydrophobicContact CG1-CD1 4.23Å; I26-R112 HydrophobicContact CD1-CG 4.41Å; I26-K115 HydrophobicContact CD1-CD 4.31Å |
| 27 | I | 97.9 | Very high | 97.2 | Very high | 114 Ų | 114 | 63.2 Ų | 63.2 | 59% | 0.585 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.1 | -42.5 | 179.5 | -67.4 | 164.2 | 0 | 0 | 0 | 110.9 | E23 Q24 E25 K31 | E23-I27 VanDerWaalsContact O-CG1 3.31Å; E23-I27 WeakPolarHBondContact O-CG1 3.43Å; E23-I27 PolarHBondContact O-N 2.96Å; Q24-I27 PolarHBondContact O-N 2.91Å; E25-I27 PolarHBondContact O-N 3.19Å; I27-K31 PolarHBondContact O-N 2.95Å |
| 28 | S | 97 | Very high | 97.2 | Very high | 45 Ų | 45 | 63.1 Ų | 63.1 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 179.4 | 78.1 | 0 | 0 | 0 | 0 | 112.6 | Q24 E25 I26 K31 Y32 | Q24-S28 PolarHBondContact O-N 2.92Å; E25-S28 PolarHBondContact O-N 3.41Å; E25-S28 PolarHBondContact O-OG 3.29Å; I26-S28 VanDerWaalsContact C-N 3.27Å; I26-S28 PolarHBondContact O-N 2.9Å; S28-K31 WeakPolarHBondContact O-CB 3.43Å; S28-K31 PolarHBondContact O-N 2.84Å; S28-Y32 WeakPolarHBondContact O-CD2 3.32Å; S28-Y32 PolarHBondContact O-N 2.84Å; S28-Y32 VanDerWaalsContact O-N 3.13Å |
| 29 | L | 97.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.6 | -37.4 | 179.6 | -68 | 171.8 | 0 | 0 | 0 | 112.2 | E25 I26 K31 Y32 R33 L104 K107 L108 L111 F319 | E25-L29 HydrophobicContact CG-CD1 4.04Å; E25-L29 HydrophobicContact CG-CG 4.42Å; E25-L29 WeakPolarHBondContact O-CG 3.49Å; E25-L29 PolarHBondContact O-N 3.29Å; I26-L29 PolarHBondContact O-N 2.83Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.35Å; L29-Y32 HydrophobicContact CD2-CD2 4.34Å; L29-Y32 PolarHBondContact O-N 2.97Å; L29-R33 WeakPolarHBondContact O-CB 3.41Å; L29-R33 PolarHBondContact O-N 3.32Å; L29-L104 HydrophobicContact CD2-CD2 3.68Å; L29-K107 HydrophobicContact CD1-CD 3.73Å; L29-K107 HydrophobicContact CD1-CG 3.92Å; L29-K107 HydrophobicContact CD2-CD 4.15Å; L29-L108 HydrophobicContact CB-CD2 3.73Å; L29-L108 HydrophobicContact CB-CG 4.11Å; L29-L108 HydrophobicContact CD1-CD2 4.34Å; L29-L111 HydrophobicContact CD1-CD1 3.29Å; L29-F319 HydrophobicContact CD2-CD2 4.42Å; L29-F319 HydrophobicContact CD2-CE2 3.76Å; L29-F319 HydrophobicContact CD2-CZ 4.34Å |
| 30 | E | 97.3 | Very high | 97.1 | Very high | 79 Ų | 79 | 64 Ų | 64 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 173.1 | -73.4 | -178.2 | 164.4 | 0 | 0 | 111.3 | I26 R33 S34 L108 R112 | I26-E30 HydrophobicContact CG2-CG 4.29Å; I26-E30 WeakPolarHBondContact O-CG 3.46Å; I26-E30 PolarHBondContact O-N 3.49Å; E30-R33 WeakPolarHBondContact O-CB 3.48Å; E30-R33 PolarHBondContact O-N 3.33Å; E30-S34 PolarHBondContact O-N 3.15Å; E30-L108 HydrophobicContact CG-CD1 4.12Å; E30-L108 HydrophobicContact CG-CD2 3.84Å; E30-R112 IonicContact OE1-CZ 3.04Å; E30-R112 IonicContact OE1-NH2 3.38Å; E30-R112 PolarHBondContact OE1-NH2 3.07Å |
| 31 | K | 97.5 | Very high | 97 | Very high | 113 Ų | 113 | 63.8 Ų | 63.8 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 171.3 | -176.6 | -178.3 | 175.6 | -177.1 | 0 | 111.5 | I27 S28 L29 R33 S34 D35 | I27-K31 PolarHBondContact O-N 2.95Å; S28-K31 WeakPolarHBondContact O-CB 3.43Å; S28-K31 PolarHBondContact O-N 2.84Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.35Å; K31-R33 VanDerWaalsContact C-N 3.3Å; K31-R33 PolarHBondContact O-N 2.93Å; K31-S34 PolarHBondContact O-N 3.38Å; K31-D35 VanDerWaalsContact O-CG 3.28Å; K31-D35 PolarHBondContact O-N 3.1Å |
| 32 | Y | 96.2 | Very high | 96.9 | Very high | 52 Ų | 52 | 66.2 Ų | 66.2 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 177.9 | -67.5 | -49.8 | 0 | 0 | 0 | 112.9 | S28 L29 D35 Y36 T316 F319 | S28-Y32 WeakPolarHBondContact O-CD2 3.32Å; S28-Y32 PolarHBondContact O-N 2.84Å; S28-Y32 VanDerWaalsContact O-N 3.13Å; L29-Y32 HydrophobicContact CD2-CD2 4.34Å; L29-Y32 PolarHBondContact O-N 2.97Å; Y32-D35 PolarHBondContact O-N 2.96Å; Y32-Y36 WeakPolarHBondContact O-CD2 2.92Å; Y32-Y36 PolarHBondContact O-N 3.25Å; Y32-T316 HydrophobicContact CE1-CG2 4.41Å; Y32-F319 HydrophobicContact CD2-CD2 4.34Å; Y32-F319 HydrophobicContact CE2-CD2 4.22Å |
| 33 | R | 96.5 | Very high | 96.7 | Very high | 88 Ų | 88 | 66.9 Ų | 66.9 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 175.4 | -176 | -177.4 | -170.3 | -105.6 | 2.5 | 111.2 | L29 E30 K31 D35 Y36 E37 L104 D105 | L29-R33 WeakPolarHBondContact O-CB 3.41Å; L29-R33 PolarHBondContact O-N 3.32Å; E30-R33 WeakPolarHBondContact O-CB 3.48Å; E30-R33 PolarHBondContact O-N 3.33Å; K31-R33 VanDerWaalsContact C-N 3.3Å; K31-R33 PolarHBondContact O-N 2.93Å; R33-D35 VanDerWaalsContact C-N 3.33Å; R33-D35 PolarHBondContact O-N 2.92Å; R33-Y36 PolarHBondContact O-N 3.31Å; R33-E37 IonicContact CZ-OE1 3.98Å; R33-E37 IonicContact NH1-OE1 2.64Å; R33-E37 WeakPolarHBondContact O-CG 3.36Å; R33-E37 PolarHBondContact O-N 3.48Å; R33-L104 HydrophobicContact CB-CD1 4.22Å; R33-D105 IonicContact CZ-OD1 2.69Å; R33-D105 IonicContact NE-OD1 2.8Å; R33-D105 PolarHBondContact NE-OD1 3.3Å; R33-D105 IonicContact NH2-OD1 3.45Å; R33-D105 PolarHBondContact NH2-OD1 2.99Å |
| 34 | S | 97.3 | Very high | 96.5 | Very high | 70 Ų | 70 | 67.1 Ų | 67.1 | 49% | 0.49 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 176.5 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | E30 K31 Y36 E37 S38 | E30-S34 PolarHBondContact O-N 3.15Å; K31-S34 PolarHBondContact O-N 3.38Å; S34-Y36 PolarHBondContact O-N 3.23Å; S34-E37 PolarHBondContact O-N 3.26Å; S34-S38 WeakPolarHBondContact O-CB 3.29Å; S34-S38 PolarHBondContact O-N 3.01Å |
| 35 | D | 97.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 66 Ų | 66 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 176.1 | -71.4 | -23.8 | 0 | 0 | 0 | 111.3 | K31 Y32 R33 S38 V39 | K31-D35 VanDerWaalsContact O-CG 3.28Å; K31-D35 PolarHBondContact O-N 3.1Å; Y32-D35 PolarHBondContact O-N 2.96Å; R33-D35 VanDerWaalsContact C-N 3.33Å; R33-D35 PolarHBondContact O-N 2.92Å; D35-S38 PolarHBondContact O-N 2.91Å; D35-V39 WeakPolarHBondContact O-CB 3.31Å; D35-V39 VanDerWaalsContact O-CG2 3.27Å; D35-V39 WeakPolarHBondContact O-CG2 3.34Å; D35-V39 PolarHBondContact O-N 3.26Å |
| 36 | Y | 97.1 | Very high | 96 | Very high | 45 Ų | 45 | 64.6 Ų | 64.6 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 176.6 | -74.4 | -50.1 | 0 | 0 | 0 | 113.2 | Y32 R33 S34 V39 S40 L97 R100 L104 | Y32-Y36 WeakPolarHBondContact O-CD2 2.92Å; Y32-Y36 PolarHBondContact O-N 3.25Å; R33-Y36 PolarHBondContact O-N 3.31Å; S34-Y36 PolarHBondContact O-N 3.23Å; Y36-V39 PolarHBondContact O-N 3.25Å; Y36-S40 WeakPolarHBondContact O-CB 3.45Å; Y36-S40 PolarHBondContact O-N 3.49Å; Y36-L97 HydrophobicContact CD1-CD2 3.49Å; Y36-L97 VanDerWaalsContact CD1-CD2 3.49Å; Y36-L97 HydrophobicContact CE1-CD2 4.01Å; Y36-L97 HydrophobicContact CG-CD2 4.33Å; Y36-R100 HydrophobicContact CE2-CB 4.43Å; Y36-L104 HydrophobicContact CD2-CD1 3.6Å; Y36-L104 HydrophobicContact CE2-CD1 3.73Å |
| 37 | E | 96.9 | Very high | 95.6 | Very high | 74 Ų | 74 | 67.7 Ų | 67.7 | 35% | 0.346 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.7 | -71.5 | 176.3 | -177.6 | 0 | 0 | 111.3 | R33 S34 V39 S40 N41 I101 | R33-E37 IonicContact CZ-OE1 3.98Å; R33-E37 IonicContact NH1-OE1 2.64Å; R33-E37 WeakPolarHBondContact O-CG 3.36Å; R33-E37 PolarHBondContact O-N 3.48Å; S34-E37 PolarHBondContact O-N 3.26Å; E37-V39 PolarHBondContact O-N 2.83Å; E37-S40 PolarHBondContact O-N 3.2Å; E37-N41 VanDerWaalsContact O-CG 3.29Å; E37-N41 PolarHBondContact O-N 3Å; E37-N41 PolarHBondContact O-ND2 3.27Å; E37-I101 HydrophobicContact CG-CD1 4.04Å |
| 38 | S | 96.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 70.6 Ų | 70.6 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 175.6 | -175.1 | 0 | 0 | 0 | 0 | 112 | S34 D35 K42 | S34-S38 WeakPolarHBondContact O-CB 3.29Å; S34-S38 PolarHBondContact O-N 3.01Å; D35-S38 PolarHBondContact O-N 2.91Å; S38-K42 VanDerWaalsContact O-CG 3.29Å; S38-K42 WeakPolarHBondContact O-CG 3.28Å; S38-K42 PolarHBondContact O-N 3.44Å; S38-K42 VanDerWaalsContact O-N 3.11Å |
| 39 | V | 95.9 | Very high | 95.1 | Very high | 64 Ų | 64 | 70.3 Ų | 70.3 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 176.9 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | D35 Y36 E37 N41 K42 I43 L97 | D35-V39 WeakPolarHBondContact O-CB 3.31Å; D35-V39 VanDerWaalsContact O-CG2 3.27Å; D35-V39 WeakPolarHBondContact O-CG2 3.34Å; D35-V39 PolarHBondContact O-N 3.26Å; Y36-V39 PolarHBondContact O-N 3.25Å; E37-V39 PolarHBondContact O-N 2.83Å; V39-N41 PolarHBondContact O-N 3.04Å; V39-K42 PolarHBondContact O-N 3.49Å; V39-I43 HydrophobicContact CG1-CD1 3.48Å; V39-I43 VanDerWaalsContact CG1-CD1 3.48Å; V39-I43 HydrophobicContact CG1-CG1 4.25Å; V39-I43 WeakPolarHBondContact O-CB 3.5Å; V39-I43 VanDerWaalsContact O-CG1 3.27Å; V39-I43 WeakPolarHBondContact O-CG1 3.39Å; V39-I43 PolarHBondContact O-N 3.24Å; V39-L97 HydrophobicContact CG1-CD1 4.05Å |
| 40 | S | 95.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 74.5 Ų | 74.5 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 177.8 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | Y36 E37 K42 I43 Q44 | Y36-S40 WeakPolarHBondContact O-CB 3.45Å; Y36-S40 PolarHBondContact O-N 3.49Å; E37-S40 PolarHBondContact O-N 3.2Å; S40-K42 PolarHBondContact O-N 2.85Å; S40-I43 PolarHBondContact O-N 3.46Å; S40-Q44 WeakPolarHBondContact O-CG 3.48Å; S40-Q44 PolarHBondContact O-N 3.41Å |
| 41 | N | 95.5 | Very high | 94.6 | Very high | 104 Ų | 104 | 78 Ų | 78 | 56% | 0.556 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 178.7 | -68 | -24.9 | 0 | 0 | 0 | 112.1 | E37 V39 Q44 E45 | E37-N41 VanDerWaalsContact O-CG 3.29Å; E37-N41 PolarHBondContact O-N 3Å; E37-N41 PolarHBondContact O-ND2 3.27Å; V39-N41 PolarHBondContact O-N 3.04Å; N41-Q44 PolarHBondContact O-N 2.91Å; N41-E45 PolarHBondContact O-N 3.33Å; N41-E45 VanDerWaalsContact O-N 3.1Å |
| 42 | K | 94.4 | Very high | 94.4 | Very high | 122 Ų | 122 | 75.9 Ų | 75.9 | 53% | 0.53 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.3 | -74.4 | 172.2 | -175.7 | 172.8 | 0 | 112 | S38 V39 S40 Q44 E45 L46 | S38-K42 VanDerWaalsContact O-CG 3.29Å; S38-K42 WeakPolarHBondContact O-CG 3.28Å; S38-K42 PolarHBondContact O-N 3.44Å; S38-K42 VanDerWaalsContact O-N 3.11Å; V39-K42 PolarHBondContact O-N 3.49Å; S40-K42 PolarHBondContact O-N 2.85Å; K42-Q44 VanDerWaalsContact C-N 3.32Å; K42-Q44 PolarHBondContact O-N 3.31Å; K42-E45 WeakPolarHBondContact O-CB 3.44Å; K42-E45 PolarHBondContact O-N 3.47Å; K42-E45 VanDerWaalsContact O-N 3.16Å; K42-L46 WeakPolarHBondContact O-CG 3.32Å; K42-L46 PolarHBondContact O-N 3.31Å |
| 43 | I | 94.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 76.9 Ų | 76.9 | 9% | 0.087 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 178.4 | -74.2 | 168.6 | 0 | 0 | 0 | 110.6 | V39 S40 E45 L46 Q47 L74 V90 T93 V94 L97 | V39-I43 HydrophobicContact CG1-CD1 3.48Å; V39-I43 VanDerWaalsContact CG1-CD1 3.48Å; V39-I43 HydrophobicContact CG1-CG1 4.25Å; V39-I43 WeakPolarHBondContact O-CB 3.5Å; V39-I43 VanDerWaalsContact O-CG1 3.27Å; V39-I43 WeakPolarHBondContact O-CG1 3.39Å; V39-I43 PolarHBondContact O-N 3.24Å; S40-I43 PolarHBondContact O-N 3.46Å; I43-E45 PolarHBondContact O-N 3.01Å; I43-L46 PolarHBondContact O-N 3.29Å; I43-L46 VanDerWaalsContact O-N 3.15Å; I43-Q47 PolarHBondContact O-N 2.96Å; I43-Q47 VanDerWaalsContact O-N 3.09Å; I43-L74 HydrophobicContact CB-CD1 4.31Å; I43-L74 HydrophobicContact CD1-CD1 3.64Å; I43-L74 HydrophobicContact CG1-CD1 3.75Å; I43-L74 HydrophobicContact CG2-CD1 3.61Å; I43-V90 HydrophobicContact CG2-CB 4.16Å; I43-V90 HydrophobicContact CG2-CG1 3.38Å; I43-V90 HydrophobicContact CG2-CG2 3.99Å; I43-T93 HydrophobicContact CD1-CG2 3.95Å; I43-V94 HydrophobicContact CG2-CG2 4.2Å; I43-L97 HydrophobicContact CD1-CD1 4.04Å |
| 44 | Q | 93.2 | Very high | 94.2 | Very high | 78 Ų | 78 | 73.9 Ų | 73.9 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.7 | -24.7 | 176.3 | -72.9 | 180 | -4.8 | 0 | 0 | 113.7 | S40 N41 K42 Q47 V94 | S40-Q44 WeakPolarHBondContact O-CG 3.48Å; S40-Q44 PolarHBondContact O-N 3.41Å; N41-Q44 PolarHBondContact O-N 2.91Å; K42-Q44 VanDerWaalsContact C-N 3.32Å; K42-Q44 PolarHBondContact O-N 3.31Å; Q44-Q47 VanDerWaalsContact O-CG 3.29Å; Q44-Q47 WeakPolarHBondContact O-CG 3.46Å; Q44-Q47 PolarHBondContact O-NE2 3.03Å; Q44-V94 HydrophobicContact CG-CG2 4.11Å |
| 45 | E | 92.5 | Very high | 94.2 | Very high | 105 Ų | 105 | 77.8 Ų | 77.8 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -76.3 | -42.5 | 170.6 | -165.7 | -160.9 | 136.9 | 0 | 0 | 111.2 | N41 K42 I43 Q47 K48 K52 | N41-E45 PolarHBondContact O-N 3.33Å; N41-E45 VanDerWaalsContact O-N 3.1Å; K42-E45 WeakPolarHBondContact O-CB 3.44Å; K42-E45 PolarHBondContact O-N 3.47Å; K42-E45 VanDerWaalsContact O-N 3.16Å; I43-E45 PolarHBondContact O-N 3.01Å; E45-Q47 PolarHBondContact O-N 3.03Å; E45-K48 PolarHBondContact O-N 3.3Å; E45-K52 IonicContact OE1-NZ 3.16Å; E45-K52 PolarHBondContact OE1-NZ 3.09Å |
| 46 | L | 91.4 | Very high | 94 | Very high | 39 Ų | 39 | 78 Ų | 78 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.1 | -33.9 | -176.8 | -71 | 174.9 | 0 | 0 | 0 | 113.6 | K42 I43 K48 S49 K52 L68 T71 | K42-L46 WeakPolarHBondContact O-CG 3.32Å; K42-L46 PolarHBondContact O-N 3.31Å; I43-L46 PolarHBondContact O-N 3.29Å; I43-L46 VanDerWaalsContact O-N 3.15Å; L46-K48 PolarHBondContact O-N 3.17Å; L46-S49 PolarHBondContact O-N 3Å; L46-S49 PolarHBondContact O-OG 3.47Å; L46-K52 HydrophobicContact CD2-CD 3.44Å; L46-K52 VanDerWaalsContact CD2-CD 3.44Å; L46-L68 HydrophobicContact CD2-CD1 4.02Å; L46-T71 WeakPolarHBondContact O-CB 3.42Å; L46-T71 PolarHBondContact O-OG1 3.09Å |
| 47 | Q | 91.3 | Very high | 93.9 | Very high | 82 Ų | 82 | 80.7 Ų | 80.7 | 38% | 0.383 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.5 | 179.6 | 74.1 | -172.5 | -25.6 | 0 | 0 | 114.2 | I43 Q44 E45 S49 N72 V90 | I43-Q47 PolarHBondContact O-N 2.96Å; I43-Q47 VanDerWaalsContact O-N 3.09Å; Q44-Q47 VanDerWaalsContact O-CG 3.29Å; Q44-Q47 WeakPolarHBondContact O-CG 3.46Å; Q44-Q47 PolarHBondContact O-NE2 3.03Å; E45-Q47 PolarHBondContact O-N 3.03Å; Q47-S49 PolarHBondContact O-N 2.96Å; Q47-N72 WeakPolarHBondContact CA-OD1 3.48Å; Q47-N72 PolarHBondContact O-OD1 2.84Å; Q47-V90 HydrophobicContact CB-CB 4.26Å; Q47-V90 HydrophobicContact CB-CG1 3.89Å; Q47-V90 HydrophobicContact CB-CG2 4.14Å; Q47-V90 HydrophobicContact CG-CG1 4.46Å; Q47-V90 VanDerWaalsContact OE1-CG1 3.3Å |
| 48 | K | 91.2 | Very high | 93.6 | Very high | 176 Ų | 176 | 85.2 Ų | 85.2 | 77% | 0.765 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -15.8 | -178.1 | -63.6 | 179.6 | -179.4 | 177 | 0 | 113.3 | E45 L46 | E45-K48 PolarHBondContact O-N 3.3Å; L46-K48 PolarHBondContact O-N 3.17Å |
| 49 | S | 91.2 | Very high | 93.5 | Very high | 39 Ų | 39 | 86.3 Ų | 86.3 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | trans | -136.2 | 125.3 | -174.3 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | L46 Q47 Y51 T71 | L46-S49 PolarHBondContact O-N 3Å; L46-S49 PolarHBondContact O-OG 3.47Å; Q47-S49 PolarHBondContact O-N 2.96Å; S49-Y51 WeakPolarHBondContact CB-O 3.35Å; S49-Y51 PolarHBondContact O-N 2.85Å; S49-T71 VanDerWaalsContact O-CB 3.31Å; S49-T71 WeakPolarHBondContact O-CB 3.34Å; S49-T71 VanDerWaalsContact O-CG2 3.31Å; S49-T71 WeakPolarHBondContact O-CG2 3.41Å; S49-T71 PolarHBondContact O-OG1 2.98Å | ||
| 50 | V | 91 | Very high | 93.3 | Very high | 88 Ų | 88 | 95.4 Ų | 95.4 | 53% | 0.533 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -61.8 | -30.4 | 179.6 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | H70 T71 | V50-H70 PolarHBondContact O-N 3.09Å; V50-T71 PolarHBondContact O-OG1 2.87Å |
| 51 | Y | 93.5 | Very high | 93.3 | Very high | 154 Ų | 154 | 104.2 Ų | 104.2 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.6 | 175.2 | 54.6 | -90.7 | 0 | 0 | 0 | 110.6 | S49 L68 | S49-Y51 WeakPolarHBondContact CB-O 3.35Å; S49-Y51 PolarHBondContact O-N 2.85Å; Y51-L68 WeakPolarHBondContact CA-O 3.49Å |
| 52 | K | 94 | Very high | 93.3 | Very high | 67 Ų | 67 | 101.1 Ų | 101.1 | 29% | 0.291 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 124.9 | 176.8 | -165.9 | 176.8 | -172.8 | 174.2 | 0 | 110.2 | E45 L46 L68 | E45-K52 IonicContact OE1-NZ 3.16Å; E45-K52 PolarHBondContact OE1-NZ 3.09Å; L46-K52 HydrophobicContact CD2-CD 3.44Å; L46-K52 VanDerWaalsContact CD2-CD 3.44Å; K52-L68 PolarHBondContact N-O 3.16Å; K52-L68 VanDerWaalsContact N-O 3.12Å; K52-L68 WeakPolarHBondContact O-CB 3.29Å; K52-L68 PolarHBondContact O-N 3.21Å |
| 53 | D | 95.5 | Very high | 93.4 | Very high | 73 Ų | 73 | 101 Ų | 101 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 135.7 | 172.1 | -72.3 | -6.3 | 0 | 0 | 0 | 109.5 | R65 G66 R67 | D53-R65 IonicContact OD2-CZ 3.81Å; D53-R65 IonicContact OD2-NH2 2.92Å; D53-R65 PolarHBondContact OD2-NH2 3.26Å; D53-G66 WeakPolarHBondContact CA-O 3.39Å; D53-R67 IonicContact OD1-CZ 3.71Å; D53-R67 IonicContact OD1-NE 3.65Å; D53-R67 PolarHBondContact OD1-NE 3.43Å; D53-R67 IonicContact OD1-NH2 3.01Å; D53-R67 PolarHBondContact OD1-NH2 3.41Å |
| 54 | A | 93.2 | Very high | 93.5 | Very high | 25 Ų | 25 | 103.9 Ų | 103.9 | 21% | 0.207 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 152.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G66 L68 | A54-G66 PolarHBondContact N-O 2.99Å; A54-G66 PolarHBondContact O-N 3.09Å; A54-G66 VanDerWaalsContact O-O 3.04Å; A54-L68 HydrophobicContact CB-CD1 4.18Å; A54-L68 HydrophobicContact CB-CD2 4.34Å; A54-L68 HydrophobicContact CB-CG 3.94Å |
| 55 | Y | 96.1 | Very high | 93.7 | Very high | 152 Ų | 152 | 107 Ų | 107 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 117.8 | 165.9 | -73.8 | -86.3 | 0 | 0 | 0 | 108.7 | L63 V64 R65 | Y55-L63 HydrophobicContact CD1-CB 4.37Å; Y55-V64 WeakPolarHBondContact CA-O 3.48Å; Y55-R65 HydrophobicContact CD1-CB 4.25Å; Y55-R65 HydrophobicContact CE1-CB 4Å; Y55-R65 HydrophobicContact CE1-CG 4.46Å |
| 56 | I | 93.9 | Very high | 93.8 | Very high | 77 Ų | 77 | 103.1 Ų | 103.1 | 40% | 0.395 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.1 | -173.7 | -59.1 | 165.7 | 0 | 0 | 0 | 108.5 | F58 L63 V64 | I56-F58 PolarHBondContact O-N 3Å; I56-L63 WeakPolarHBondContact O-CA 3.31Å; I56-V64 PolarHBondContact N-O 2.89Å; I56-V64 PolarHBondContact O-N 3.27Å |
| 57 | P | 95 | Very high | 94 | Very high | 100 Ų | 100 | 108.3 Ų | 108.3 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 114.9 | 174.6 | 28.1 | -32.8 | 0 | 0 | 0 | 109.9 | L63 | P57-L63 HydrophobicContact CB-CD2 4.07Å |
| 58 | F | 91.3 | Very high | 94.1 | Very high | 169 Ų | 169 | 107.2 Ų | 107.2 | 74% | 0.741 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -33.1 | 175 | -178.7 | -102.8 | 0 | 0 | 0 | 111.4 | I56 A62 V64 | I56-F58 PolarHBondContact O-N 3Å; F58-A62 PolarHBondContact N-O 3.36Å; F58-V64 HydrophobicContact CB-CG2 3.76Å; F58-V64 HydrophobicContact CG-CG2 4.24Å |
| 59 | S | 94.2 | Very high | 94.2 | Very high | 74 Ų | 74 | 104.6 Ų | 104.6 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 172.4 | 175 | -178.3 | 0 | 0 | 0 | 0 | 110 | K61 A62 | S59-K61 PolarHBondContact O-N 2.7Å; S59-A62 PolarHBondContact N-O 2.97Å; S59-A62 PolarHBondContact O-N 3.38Å; S59-A62 VanDerWaalsContact O-N 3.11Å |
| 60 | R | 92.4 | Very high | 94.3 | Very high | 255 Ų | 255 | 108.2 Ų | 108.2 | 96% | 0.962 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -30.1 | -177.3 | -64.3 | -175.4 | -177.7 | -172.6 | -0.1 | 113.9 | ||
| 61 | K | 94.2 | Very high | 94.4 | Very high | 192 Ų | 192 | 104.4 Ų | 104.4 | 84% | 0.835 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 12.6 | -178.7 | -61.4 | -175.9 | 178.3 | -179.6 | 0 | 113.6 | S59 | S59-K61 PolarHBondContact O-N 2.7Š|
| 62 | A | 95.8 | Very high | 94.4 | Very high | 40 Ų | 40 | 100.4 Ų | 100.4 | 33% | 0.331 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 127.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F58 S59 | F58-A62 PolarHBondContact N-O 3.36Å; S59-A62 PolarHBondContact N-O 2.97Å; S59-A62 PolarHBondContact O-N 3.38Å; S59-A62 VanDerWaalsContact O-N 3.11Å |
| 63 | L | 96.5 | Very high | 94.4 | Very high | 118 Ų | 118 | 102.9 Ų | 102.9 | 62% | 0.618 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.5 | 174.7 | -58.8 | -179.7 | 0 | 0 | 0 | 109.5 | Y55 I56 P57 | Y55-L63 HydrophobicContact CD1-CB 4.37Å; I56-L63 WeakPolarHBondContact O-CA 3.31Å; P57-L63 HydrophobicContact CB-CD2 4.07Å |
| 64 | V | 96.5 | Very high | 94.3 | Very high | 78 Ų | 78 | 101.2 Ų | 101.2 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.8 | 176.6 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | Y55 I56 F58 | Y55-V64 WeakPolarHBondContact CA-O 3.48Å; I56-V64 PolarHBondContact N-O 2.89Å; I56-V64 PolarHBondContact O-N 3.27Å; F58-V64 HydrophobicContact CB-CG2 3.76Å; F58-V64 HydrophobicContact CG-CG2 4.24Å |
| 65 | R | 96.9 | Very high | 94.4 | Very high | 144 Ų | 144 | 104.9 Ų | 104.9 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.8 | 174.1 | -176.8 | 162.1 | 167.6 | 75.6 | 7.9 | 109.5 | D53 Y55 | D53-R65 IonicContact OD2-CZ 3.81Å; D53-R65 IonicContact OD2-NH2 2.92Å; D53-R65 PolarHBondContact OD2-NH2 3.26Å; Y55-R65 HydrophobicContact CD1-CB 4.25Å; Y55-R65 HydrophobicContact CE1-CB 4Å; Y55-R65 HydrophobicContact CE1-CG 4.46Å |
| 66 | G | 95.2 | Very high | 94.4 | Very high | 24 Ų | 24 | 98.3 Ų | 98.3 | 25% | 0.247 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | -174.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D53 A54 | D53-G66 WeakPolarHBondContact CA-O 3.39Å; A54-G66 PolarHBondContact N-O 2.99Å; A54-G66 PolarHBondContact O-N 3.09Å; A54-G66 VanDerWaalsContact O-O 3.04Å |
| 67 | R | 94.7 | Very high | 94.4 | Very high | 147 Ų | 147 | 96.6 Ų | 96.6 | 56% | 0.555 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.4 | 176 | -179.6 | 178.4 | -68.9 | 173.3 | 1.8 | 109.2 | D53 | D53-R67 IonicContact OD1-CZ 3.71Å; D53-R67 IonicContact OD1-NE 3.65Å; D53-R67 PolarHBondContact OD1-NE 3.43Å; D53-R67 IonicContact OD1-NH2 3.01Å; D53-R67 PolarHBondContact OD1-NH2 3.41Å |
| 68 | L | 94.1 | Very high | 94.3 | Very high | 59 Ų | 59 | 95 Ų | 95 | 31% | 0.309 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 130.6 | 169 | -55.5 | -179.7 | 0 | 0 | 0 | 108.4 | L46 Y51 K52 A54 T71 | L46-L68 HydrophobicContact CD2-CD1 4.02Å; Y51-L68 WeakPolarHBondContact CA-O 3.49Å; K52-L68 PolarHBondContact N-O 3.16Å; K52-L68 VanDerWaalsContact N-O 3.12Å; K52-L68 WeakPolarHBondContact O-CB 3.29Å; K52-L68 PolarHBondContact O-N 3.21Å; A54-L68 HydrophobicContact CB-CD1 4.18Å; A54-L68 HydrophobicContact CB-CD2 4.34Å; A54-L68 HydrophobicContact CB-CG 3.94Å; L68-T71 HydrophobicContact CB-CG2 4.13Å |
| 69 | I | 94 | Very high | 94.1 | Very high | 122 Ų | 122 | 87.1 Ų | 87.1 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.8 | 177.9 | -54.3 | 172.5 | 0 | 0 | 0 | 106.7 | ||
| 70 | H | 93.2 | Very high | 93.6 | Very high | 114 Ų | 114 | 85.2 Ų | 85.2 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | trans | 57.6 | 48.9 | -176.8 | -50.8 | 141.5 | 0 | 0 | 0 | 113.2 | V50 N72 E73 | V50-H70 PolarHBondContact O-N 3.09Å; H70-N72 PolarHBondContact O-N 3.34Å; H70-E73 HydrophobicContact CB-CB 4.4Å; H70-E73 PolarHBondContact O-N 3.46Å; H70-E73 VanDerWaalsContact O-O 3.06Å | ||
| 71 | T | 93.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 78.2 Ų | 78.2 | 6% | 0.055 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -16 | 175.7 | 54 | 0 | 0 | 0 | 0 | 115.1 | L46 S49 V50 L68 E73 V90 | L46-T71 WeakPolarHBondContact O-CB 3.42Å; L46-T71 PolarHBondContact O-OG1 3.09Å; S49-T71 VanDerWaalsContact O-CB 3.31Å; S49-T71 WeakPolarHBondContact O-CB 3.34Å; S49-T71 VanDerWaalsContact O-CG2 3.31Å; S49-T71 WeakPolarHBondContact O-CG2 3.41Å; S49-T71 PolarHBondContact O-OG1 2.98Å; V50-T71 PolarHBondContact O-OG1 2.87Å; L68-T71 HydrophobicContact CB-CG2 4.13Å; T71-E73 VanDerWaalsContact C-N 3.34Å; T71-V90 VanDerWaalsContact O-CG2 3.31Å; T71-V90 WeakPolarHBondContact O-CG2 3.46Å |
| 72 | N | 92.5 | Very high | 92.8 | Very high | 69 Ų | 69 | 73.6 Ų | 73.6 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -10 | 176.9 | -65.7 | -19.3 | 0 | 0 | 0 | 113.4 | Q47 H70 S89 V90 | Q47-N72 WeakPolarHBondContact CA-OD1 3.48Å; Q47-N72 PolarHBondContact O-OD1 2.84Å; H70-N72 PolarHBondContact O-N 3.34Å; N72-S89 CarbonylContact O-C 3.6Å; N72-S89 WeakPolarHBondContact O-CA 3.45Å; N72-V90 PolarHBondContact O-N 3.28Å |
| 73 | E | 93.2 | Very high | 92.4 | Very high | 119 Ų | 119 | 76.5 Ų | 76.5 | 56% | 0.556 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.6 | -178.7 | -64 | 176 | 180 | 0 | 0 | 109.1 | H70 T71 L88 | H70-E73 HydrophobicContact CB-CB 4.4Å; H70-E73 PolarHBondContact O-N 3.46Å; H70-E73 VanDerWaalsContact O-O 3.06Å; T71-E73 VanDerWaalsContact C-N 3.34Å; E73-L88 WeakPolarHBondContact CA-O 3.37Å |
| 74 | L | 94.6 | Very high | 92.1 | Very high | 38 Ų | 38 | 75.5 Ų | 75.5 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.6 | -174.4 | -62.2 | 175.7 | 0 | 0 | 0 | 110.1 | I43 V76 E87 L88 V90 T93 | I43-L74 HydrophobicContact CB-CD1 4.31Å; I43-L74 HydrophobicContact CD1-CD1 3.64Å; I43-L74 HydrophobicContact CG1-CD1 3.75Å; I43-L74 HydrophobicContact CG2-CD1 3.61Å; L74-V76 HydrophobicContact CB-CG2 4.07Å; L74-V76 PolarHBondContact O-N 3.34Å; L74-E87 CarbonylContact O-C 3.6Å; L74-E87 WeakPolarHBondContact O-CA 3.41Å; L74-L88 PolarHBondContact N-O 3.49Å; L74-L88 PolarHBondContact O-N 3.5Å; L74-V90 HydrophobicContact CD1-CG2 3.98Å; L74-V90 HydrophobicContact CG-CG2 4.19Å; L74-T93 HydrophobicContact CD1-CG2 3.86Å |
| 75 | L | 95.4 | Very high | 92 | Very high | 102 Ų | 102 | 75.7 Ų | 75.7 | 53% | 0.534 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 110.4 | 167.7 | -173.4 | 67.4 | 0 | 0 | 0 | 108.8 | F85 E87 | L75-F85 HydrophobicContact CD1-CB 3.76Å; L75-F85 HydrophobicContact CD2-CD1 4.39Å; L75-F85 HydrophobicContact CG-CB 4.13Å; L75-F85 HydrophobicContact CG-CD1 4.15Å; L75-E87 HydrophobicContact CD1-CG 4.1Å |
| 76 | V | 95.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 69.3 Ų | 69.3 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.4 | -175 | -174 | 0 | 0 | 0 | 0 | 110.6 | L74 L78 F85 A86 L88 T93 L96 | L74-V76 HydrophobicContact CB-CG2 4.07Å; L74-V76 PolarHBondContact O-N 3.34Å; V76-L78 PolarHBondContact O-N 2.88Å; V76-F85 WeakPolarHBondContact O-CA 3.32Å; V76-A86 PolarHBondContact N-O 2.9Å; V76-A86 PolarHBondContact O-N 2.91Å; V76-L88 HydrophobicContact CB-CD1 4.02Å; V76-L88 HydrophobicContact CG1-CD1 4.47Å; V76-L88 HydrophobicContact CG2-CB 4.21Å; V76-L88 HydrophobicContact CG2-CD1 4.05Å; V76-L88 HydrophobicContact CG2-CG 4.4Å; V76-T93 HydrophobicContact CG2-CG2 3.65Å; V76-T93 WeakPolarHBondContact CG2-OG1 3.32Å; V76-L96 HydrophobicContact CG1-CD2 3.68Å |
| 77 | Y | 94.1 | Very high | 91.9 | Very high | 40 Ų | 40 | 74.2 Ų | 74.2 | 16% | 0.157 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 117.6 | 169.6 | -178.9 | -112 | 0 | 0 | 0 | 109.6 | D83 F85 R100 P318 | Y77-D83 HydrophobicContact CE2-CB 4.01Å; Y77-D83 WeakPolarHBondContact CE2-OD1 3.43Å; Y77-D83 PolarHBondContact OH-OD1 3.41Å; Y77-F85 HydrophobicContact CD2-CD1 4.21Å; Y77-F85 HydrophobicContact CD2-CD2 4.33Å; Y77-F85 AromaticContact CD2-CE1 3.73Å; Y77-F85 HydrophobicContact CD2-CE1 3.73Å; Y77-F85 AromaticContact CD2-CE2 3.85Å; Y77-F85 HydrophobicContact CD2-CE2 3.85Å; Y77-F85 HydrophobicContact CD2-CG 4.5Å; Y77-F85 AromaticContact CD2-CZ 3.52Å; Y77-F85 HydrophobicContact CD2-CZ 3.52Å; Y77-F85 HydrophobicContact CE2-CE2 4.33Å; Y77-F85 HydrophobicContact CE2-CZ 4.25Å; Y77-F85 HydrophobicContact CG-CE1 4.16Å; Y77-F85 HydrophobicContact CG-CZ 4.33Å; Y77-R100 PolarHBondContact O-NH1 3.35Å; Y77-R100 VanDerWaalsContact O-NH1 3.12Å; Y77-R100 PolarHBondContact O-NH2 3.19Å; Y77-P318 HydrophobicContact CD1-CB 4.03Å; Y77-P318 HydrophobicContact CD1-CG 4.5Å; Y77-P318 HydrophobicContact CE1-CB 3.77Å; Y77-P318 HydrophobicContact CE1-CG 3.95Å |
| 78 | L | 92 | Very high | 91.9 | Very high | 66 Ų | 66 | 68.1 Ų | 68.1 | 35% | 0.346 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -30.1 | -179.1 | -64.8 | -176.6 | 0 | 0 | 0 | 112.4 | V76 Y84 A86 L88 L96 R100 | V76-L78 PolarHBondContact O-N 2.88Å; L78-Y84 PolarHBondContact N-O 3.14Å; L78-A86 HydrophobicContact CD1-CB 3.69Å; L78-A86 HydrophobicContact CD2-CB 4.38Å; L78-A86 HydrophobicContact CG-CB 4.05Å; L78-L88 HydrophobicContact CD2-CD1 4.36Å; L78-L96 HydrophobicContact CD2-CD2 3.93Å; L78-R100 PolarHBondContact O-NH2 3.4Å |
| 79 | G | 87.5 | Confident | 91.9 | Very high | 5 Ų | 5 | 67.9 Ų | 67.9 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 96 | -158.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 80 | G | 83.2 | Confident | 92 | Very high | 33 Ų | 33 | 62.3 Ų | 62.3 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -179.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N82 | G80-N82 VanDerWaalsContact C-N 3.26Å; G80-N82 PolarHBondContact O-N 3Å |
| 81 | T | 86.4 | Confident | 92 | Very high | 109 Ų | 109 | 64.3 Ų | 64.3 | 67% | 0.669 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -19.9 | -174.4 | 56 | 0 | 0 | 0 | 0 | 114.3 | ||
| 82 | N | 85.2 | Confident | 92.2 | Very high | 94 Ų | 94 | 66.8 Ų | 66.8 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 23.2 | -167.6 | -57.3 | -13.1 | 0 | 0 | 0 | 113.1 | G80 Y84 | G80-N82 VanDerWaalsContact C-N 3.26Å; G80-N82 PolarHBondContact O-N 3Å; N82-Y84 HydrophobicContact CB-CD2 4.17Å; N82-Y84 HydrophobicContact CB-CE1 4.17Å; N82-Y84 HydrophobicContact CB-CE2 3.57Å; N82-Y84 PolarHBondContact ND2-OH 3.33Å; N82-Y84 PolarHBondContact O-N 3.42Å |
| 83 | D | 86.6 | Confident | 92.3 | Very high | 101 Ų | 101 | 63.7 Ų | 63.7 | 54% | 0.54 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 56.5 | 177.4 | -68.5 | -37.3 | 0 | 0 | 0 | 114.5 | Y77 F85 | Y77-D83 HydrophobicContact CE2-CB 4.01Å; Y77-D83 WeakPolarHBondContact CE2-OD1 3.43Å; Y77-D83 PolarHBondContact OH-OD1 3.41Å; D83-F85 VanDerWaalsContact O-CD2 3.28Å; D83-F85 WeakPolarHBondContact O-CD2 3.4Å |
| 84 | Y | 90.5 | Very high | 92.4 | Very high | 98 Ų | 98 | 58.9 Ų | 58.9 | 38% | 0.384 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.7 | -178 | -68.8 | -63.3 | 0 | 0 | 0 | 112.5 | L78 N82 L349 | L78-Y84 PolarHBondContact N-O 3.14Å; N82-Y84 HydrophobicContact CB-CD2 4.17Å; N82-Y84 HydrophobicContact CB-CE1 4.17Å; N82-Y84 HydrophobicContact CB-CE2 3.57Å; N82-Y84 PolarHBondContact ND2-OH 3.33Å; N82-Y84 PolarHBondContact O-N 3.42Å; Y84-L349 HydrophobicContact CE1-CD2 4.27Å |
| 85 | F | 94.4 | Very high | 92.5 | Very high | 81 Ų | 81 | 60.1 Ų | 60.1 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 146.1 | 169.1 | -65.5 | -96.5 | 0 | 0 | 0 | 109.9 | L75 V76 Y77 D83 | L75-F85 HydrophobicContact CD1-CB 3.76Å; L75-F85 HydrophobicContact CD2-CD1 4.39Å; L75-F85 HydrophobicContact CG-CB 4.13Å; L75-F85 HydrophobicContact CG-CD1 4.15Å; V76-F85 WeakPolarHBondContact O-CA 3.32Å; Y77-F85 HydrophobicContact CD2-CD1 4.21Å; Y77-F85 HydrophobicContact CD2-CD2 4.33Å; Y77-F85 AromaticContact CD2-CE1 3.73Å; Y77-F85 HydrophobicContact CD2-CE1 3.73Å; Y77-F85 AromaticContact CD2-CE2 3.85Å; Y77-F85 HydrophobicContact CD2-CE2 3.85Å; Y77-F85 HydrophobicContact CD2-CG 4.5Å; Y77-F85 AromaticContact CD2-CZ 3.52Å; Y77-F85 HydrophobicContact CD2-CZ 3.52Å; Y77-F85 HydrophobicContact CE2-CE2 4.33Å; Y77-F85 HydrophobicContact CE2-CZ 4.25Å; Y77-F85 HydrophobicContact CG-CE1 4.16Å; Y77-F85 HydrophobicContact CG-CZ 4.33Å; D83-F85 VanDerWaalsContact O-CD2 3.28Å; D83-F85 WeakPolarHBondContact O-CD2 3.4Å |
| 86 | A | 93.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | V76 L78 L88 | V76-A86 PolarHBondContact N-O 2.9Å; V76-A86 PolarHBondContact O-N 2.91Å; L78-A86 HydrophobicContact CD1-CB 3.69Å; L78-A86 HydrophobicContact CD2-CB 4.38Å; L78-A86 HydrophobicContact CG-CB 4.05Å; A86-L88 HydrophobicContact CB-CD2 4.4Å; A86-L88 HydrophobicContact CB-CG 4.36Å; A86-L88 PolarHBondContact O-N 3.34Å |
| 87 | E | 95.8 | Very high | 92.6 | Very high | 126 Ų | 126 | 56.9 Ų | 56.9 | 59% | 0.589 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 119.6 | 166.9 | -68.7 | 170.4 | -177.1 | 0 | 0 | 108.1 | L74 L75 | L74-E87 CarbonylContact O-C 3.6Å; L74-E87 WeakPolarHBondContact O-CA 3.41Å; L75-E87 HydrophobicContact CD1-CG 4.1Å |
| 88 | L | 95.2 | Very high | 92.7 | Very high | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.2 | -178.7 | -65.1 | -178.7 | 0 | 0 | 0 | 110.2 | E73 L74 V76 L78 A86 D92 L96 | E73-L88 WeakPolarHBondContact CA-O 3.37Å; L74-L88 PolarHBondContact N-O 3.49Å; L74-L88 PolarHBondContact O-N 3.5Å; V76-L88 HydrophobicContact CB-CD1 4.02Å; V76-L88 HydrophobicContact CG1-CD1 4.47Å; V76-L88 HydrophobicContact CG2-CB 4.21Å; V76-L88 HydrophobicContact CG2-CD1 4.05Å; V76-L88 HydrophobicContact CG2-CG 4.4Å; L78-L88 HydrophobicContact CD2-CD1 4.36Å; A86-L88 HydrophobicContact CB-CD2 4.4Å; A86-L88 HydrophobicContact CB-CG 4.36Å; A86-L88 PolarHBondContact O-N 3.34Å; L88-D92 HydrophobicContact CB-CB 4.26Å; L88-L96 HydrophobicContact CD1-CD2 4.16Å |
| 89 | S | 94.6 | Very high | 92.9 | Very high | 55 Ų | 55 | 62.6 Ų | 62.6 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 152.3 | 164.8 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | N72 Y91 D92 T93 | N72-S89 CarbonylContact O-C 3.6Å; N72-S89 WeakPolarHBondContact O-CA 3.45Å; S89-Y91 PolarHBondContact O-N 3.31Å; S89-Y91 PolarHBondContact OG-N 2.86Å; S89-D92 PolarHBondContact O-N 3.36Å; S89-T93 WeakPolarHBondContact O-CB 3.47Å; S89-T93 PolarHBondContact O-N 3.45Å; S89-T93 PolarHBondContact O-OG1 2.99Å |
| 90 | V | 94.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -51.5 | -42.2 | 169.7 | 166.9 | 0 | 0 | 0 | 0 | 111.4 | I43 Q47 T71 N72 L74 D92 T93 V94 | I43-V90 HydrophobicContact CG2-CB 4.16Å; I43-V90 HydrophobicContact CG2-CG1 3.38Å; I43-V90 HydrophobicContact CG2-CG2 3.99Å; Q47-V90 HydrophobicContact CB-CB 4.26Å; Q47-V90 HydrophobicContact CB-CG1 3.89Å; Q47-V90 HydrophobicContact CB-CG2 4.14Å; Q47-V90 HydrophobicContact CG-CG1 4.46Å; Q47-V90 VanDerWaalsContact OE1-CG1 3.3Å; T71-V90 VanDerWaalsContact O-CG2 3.31Å; T71-V90 WeakPolarHBondContact O-CG2 3.46Å; N72-V90 PolarHBondContact O-N 3.28Å; L74-V90 HydrophobicContact CD1-CG2 3.98Å; L74-V90 HydrophobicContact CG-CG2 4.19Å; V90-D92 PolarHBondContact O-N 3.5Å; V90-T93 WeakPolarHBondContact O-CB 3.04Å; V90-T93 PolarHBondContact O-N 2.89Å; V90-V94 HydrophobicContact CG1-CG2 4.25Å; V90-V94 WeakPolarHBondContact O-CG2 3.37Å; V90-V94 PolarHBondContact O-N 2.99Å |
| 91 | Y | 94.7 | Very high | 94 | Very high | 157 Ų | 157 | 63 Ų | 63 | 62% | 0.616 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.5 | -47.5 | 179.9 | 176 | -109.8 | 0 | 0 | 0 | 112.2 | S89 T93 V94 Q95 | S89-Y91 PolarHBondContact O-N 3.31Å; S89-Y91 PolarHBondContact OG-N 2.86Å; Y91-T93 VanDerWaalsContact C-N 3.31Å; Y91-T93 PolarHBondContact O-N 3.36Å; Y91-V94 PolarHBondContact O-N 2.92Å; Y91-Q95 VanDerWaalsContact CD1-NE2 3.29Å; Y91-Q95 PolarHBondContact O-N 3.35Å; Y91-Q95 VanDerWaalsContact O-N 3.14Å |
| 92 | D | 95.9 | Very high | 94.5 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -38 | 176.9 | -75.4 | -6.1 | 0 | 0 | 0 | 111.5 | L88 S89 V90 Q95 L96 | L88-D92 HydrophobicContact CB-CB 4.26Å; S89-D92 PolarHBondContact O-N 3.36Å; V90-D92 PolarHBondContact O-N 3.5Å; D92-Q95 PolarHBondContact O-N 3.2Å; D92-L96 WeakPolarHBondContact O-CB 3.36Å; D92-L96 PolarHBondContact O-N 3.24Å |
| 93 | T | 95.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 67.5 Ų | 67.5 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -46 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | I43 L74 V76 S89 V90 Y91 Q95 L96 L97 | I43-T93 HydrophobicContact CD1-CG2 3.95Å; L74-T93 HydrophobicContact CD1-CG2 3.86Å; V76-T93 HydrophobicContact CG2-CG2 3.65Å; V76-T93 WeakPolarHBondContact CG2-OG1 3.32Å; S89-T93 WeakPolarHBondContact O-CB 3.47Å; S89-T93 PolarHBondContact O-N 3.45Å; S89-T93 PolarHBondContact O-OG1 2.99Å; V90-T93 WeakPolarHBondContact O-CB 3.04Å; V90-T93 PolarHBondContact O-N 2.89Å; Y91-T93 VanDerWaalsContact C-N 3.31Å; Y91-T93 PolarHBondContact O-N 3.36Å; T93-Q95 VanDerWaalsContact C-N 3.32Å; T93-Q95 PolarHBondContact O-N 2.93Å; T93-L96 WeakPolarHBondContact O-CB 3.39Å; T93-L96 PolarHBondContact O-N 2.97Å; T93-L97 HydrophobicContact CG2-CD1 4.34Å; T93-L97 WeakPolarHBondContact O-CG 3.39Å; T93-L97 PolarHBondContact O-N 2.95Å |
| 94 | V | 95.8 | Very high | 95.5 | Very high | 19 Ų | 19 | 63 Ų | 63 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | I43 Q44 V90 Y91 L96 L97 N98 | I43-V94 HydrophobicContact CG2-CG2 4.2Å; Q44-V94 HydrophobicContact CG-CG2 4.11Å; V90-V94 HydrophobicContact CG1-CG2 4.25Å; V90-V94 WeakPolarHBondContact O-CG2 3.37Å; V90-V94 PolarHBondContact O-N 2.99Å; Y91-V94 PolarHBondContact O-N 2.92Å; V94-L96 PolarHBondContact O-N 3.5Å; V94-L97 PolarHBondContact O-N 3.12Å; V94-N98 WeakPolarHBondContact O-CB 3.25Å; V94-N98 VanDerWaalsContact O-CG 3.23Å; V94-N98 PolarHBondContact O-N 3.42Å; V94-N98 PolarHBondContact O-ND2 2.94Å |
| 95 | Q | 95.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 60.5 Ų | 60.5 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 174.5 | -74.8 | -176.4 | 72.3 | 0 | 0 | 112.6 | Y91 D92 T93 N98 R99 | Y91-Q95 VanDerWaalsContact CD1-NE2 3.29Å; Y91-Q95 PolarHBondContact O-N 3.35Å; Y91-Q95 VanDerWaalsContact O-N 3.14Å; D92-Q95 PolarHBondContact O-N 3.2Å; T93-Q95 VanDerWaalsContact C-N 3.32Å; T93-Q95 PolarHBondContact O-N 2.93Å; Q95-N98 PolarHBondContact O-N 3.34Å; Q95-R99 WeakPolarHBondContact O-CG 3.49Å; Q95-R99 PolarHBondContact O-N 3.46Å |
| 96 | L | 96.1 | Very high | 96 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 176.4 | -179.9 | 64.8 | 0 | 0 | 0 | 111.4 | V76 L78 L88 D92 T93 V94 R99 R100 | V76-L96 HydrophobicContact CG1-CD2 3.68Å; L78-L96 HydrophobicContact CD2-CD2 3.93Å; L88-L96 HydrophobicContact CD1-CD2 4.16Å; D92-L96 WeakPolarHBondContact O-CB 3.36Å; D92-L96 PolarHBondContact O-N 3.24Å; T93-L96 WeakPolarHBondContact O-CB 3.39Å; T93-L96 PolarHBondContact O-N 2.97Å; V94-L96 PolarHBondContact O-N 3.5Å; L96-R99 WeakPolarHBondContact O-CB 3.45Å; L96-R99 PolarHBondContact O-N 2.94Å; L96-R100 WeakPolarHBondContact O-CG 3.4Å; L96-R100 PolarHBondContact O-N 3.24Å |
| 97 | L | 96.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 175.4 | -70.5 | 175.8 | 0 | 0 | 0 | 111.3 | Y36 V39 I43 T93 V94 R99 R100 I101 | Y36-L97 HydrophobicContact CD1-CD2 3.49Å; Y36-L97 VanDerWaalsContact CD1-CD2 3.49Å; Y36-L97 HydrophobicContact CE1-CD2 4.01Å; Y36-L97 HydrophobicContact CG-CD2 4.33Å; V39-L97 HydrophobicContact CG1-CD1 4.05Å; I43-L97 HydrophobicContact CD1-CD1 4.04Å; T93-L97 HydrophobicContact CG2-CD1 4.34Å; T93-L97 WeakPolarHBondContact O-CG 3.39Å; T93-L97 PolarHBondContact O-N 2.95Å; V94-L97 PolarHBondContact O-N 3.12Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-R99 PolarHBondContact O-N 2.64Å; L97-R100 WeakPolarHBondContact O-CA 3.4Å; L97-R100 WeakPolarHBondContact O-CB 3.31Å; L97-R100 PolarHBondContact O-N 3.16Å; L97-I101 WeakPolarHBondContact O-CG1 3.38Å; L97-I101 PolarHBondContact O-N 3.13Å |
| 98 | N | 96.8 | Very high | 96.2 | Very high | 74 Ų | 74 | 59.1 Ų | 59.1 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 176.4 | -71.2 | -20.9 | 0 | 0 | 0 | 112.2 | V94 Q95 K102 | V94-N98 WeakPolarHBondContact O-CB 3.25Å; V94-N98 VanDerWaalsContact O-CG 3.23Å; V94-N98 PolarHBondContact O-N 3.42Å; V94-N98 PolarHBondContact O-ND2 2.94Å; Q95-N98 PolarHBondContact O-N 3.34Å; N98-K102 WeakPolarHBondContact O-CG 3.31Å; N98-K102 PolarHBondContact O-N 3.48Å |
| 99 | R | 96.7 | Very high | 96.3 | Very high | 152 Ų | 152 | 62 Ų | 62 | 57% | 0.574 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 173.8 | -71.1 | 173.8 | -177.7 | -179.6 | 2.4 | 111.8 | Q95 L96 L97 K102 R103 | Q95-R99 WeakPolarHBondContact O-CG 3.49Å; Q95-R99 PolarHBondContact O-N 3.46Å; L96-R99 WeakPolarHBondContact O-CB 3.45Å; L96-R99 PolarHBondContact O-N 2.94Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-R99 PolarHBondContact O-N 2.64Å; R99-K102 PolarHBondContact O-N 3.35Å; R99-R103 WeakPolarHBondContact O-CG 3.44Å; R99-R103 PolarHBondContact O-N 3.06Å; R99-R103 VanDerWaalsContact O-N 3.12Å |
| 100 | R | 96.2 | Very high | 96.5 | Very high | 30 Ų | 30 | 61 Ų | 61 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 176.3 | -74 | -179.2 | 169.9 | 167.7 | 0.8 | 112.1 | Y36 Y77 L78 L96 L97 K102 R103 L104 | Y36-R100 HydrophobicContact CE2-CB 4.43Å; Y77-R100 PolarHBondContact O-NH1 3.35Å; Y77-R100 VanDerWaalsContact O-NH1 3.12Å; Y77-R100 PolarHBondContact O-NH2 3.19Å; L78-R100 PolarHBondContact O-NH2 3.4Å; L96-R100 WeakPolarHBondContact O-CG 3.4Å; L96-R100 PolarHBondContact O-N 3.24Å; L97-R100 WeakPolarHBondContact O-CA 3.4Å; L97-R100 WeakPolarHBondContact O-CB 3.31Å; L97-R100 PolarHBondContact O-N 3.16Å; R100-K102 PolarHBondContact O-N 3.34Å; R100-R103 PolarHBondContact O-N 3.23Å; R100-L104 WeakPolarHBondContact O-CG 3.45Å; R100-L104 PolarHBondContact O-N 3.48Å |
| 101 | I | 97.1 | Very high | 96.6 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 175.3 | -68 | 166.1 | 0 | 0 | 0 | 110.1 | E37 L97 R103 L104 D105 | E37-I101 HydrophobicContact CG-CD1 4.04Å; L97-I101 WeakPolarHBondContact O-CG1 3.38Å; L97-I101 PolarHBondContact O-N 3.13Å; I101-R103 VanDerWaalsContact C-N 3.3Å; I101-R103 PolarHBondContact O-N 2.7Å; I101-L104 CarbonylContact O-C 3.59Å; I101-L104 WeakPolarHBondContact O-CA 3.38Å; I101-L104 WeakPolarHBondContact O-CB 3.39Å; I101-L104 PolarHBondContact O-N 3.1Å; I101-D105 PolarHBondContact O-N 3.21Å |
| 102 | K | 97.2 | Very high | 96.7 | Very high | 145 Ų | 145 | 59.3 Ų | 59.3 | 63% | 0.63 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.6 | -39.6 | 176.2 | -73.1 | -179.7 | 179.7 | -170.7 | 0 | 113.3 | N98 R99 R100 D105 I106 | N98-K102 WeakPolarHBondContact O-CG 3.31Å; N98-K102 PolarHBondContact O-N 3.48Å; R99-K102 PolarHBondContact O-N 3.35Å; R100-K102 PolarHBondContact O-N 3.34Å; K102-D105 PolarHBondContact O-N 3.21Å; K102-I106 WeakPolarHBondContact O-CG1 3.46Å; K102-I106 PolarHBondContact O-N 3.45Å; K102-I106 VanDerWaalsContact O-N 3.13Å |
| 103 | R | 96 | Very high | 96.8 | Very high | 152 Ų | 152 | 63.1 Ų | 63.1 | 57% | 0.574 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.5 | -40.5 | 175.3 | -71.6 | 177.1 | -175.8 | 174 | -0.6 | 111.8 | R99 R100 I101 K107 D321 | R99-R103 WeakPolarHBondContact O-CG 3.44Å; R99-R103 PolarHBondContact O-N 3.06Å; R99-R103 VanDerWaalsContact O-N 3.12Å; R100-R103 PolarHBondContact O-N 3.23Å; I101-R103 VanDerWaalsContact C-N 3.3Å; I101-R103 PolarHBondContact O-N 2.7Å; R103-K107 PolarHBondContact O-N 3.16Å; R103-K107 VanDerWaalsContact O-N 3.1Å; R103-D321 IonicContact NH1-OD1 2.7Å |
| 104 | L | 96.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 174.7 | -72.3 | 176.2 | 0 | 0 | 0 | 111.8 | L29 R33 Y36 R100 I101 K107 L108 | L29-L104 HydrophobicContact CD2-CD2 3.68Å; R33-L104 HydrophobicContact CB-CD1 4.22Å; Y36-L104 HydrophobicContact CD2-CD1 3.6Å; Y36-L104 HydrophobicContact CE2-CD1 3.73Å; R100-L104 WeakPolarHBondContact O-CG 3.45Å; R100-L104 PolarHBondContact O-N 3.48Å; I101-L104 CarbonylContact O-C 3.59Å; I101-L104 WeakPolarHBondContact O-CA 3.38Å; I101-L104 WeakPolarHBondContact O-CB 3.39Å; I101-L104 PolarHBondContact O-N 3.1Å; L104-K107 PolarHBondContact O-N 2.95Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 WeakPolarHBondContact O-CG 3.3Å; L104-L108 PolarHBondContact O-N 2.9Å |
| 105 | D | 97.2 | Very high | 96.9 | Very high | 44 Ų | 44 | 69.4 Ų | 69.4 | 24% | 0.235 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 177.3 | -67.6 | -31.6 | 0 | 0 | 0 | 110.9 | R33 I101 K102 K107 L108 D109 | R33-D105 IonicContact CZ-OD1 2.69Å; R33-D105 IonicContact NE-OD1 2.8Å; R33-D105 PolarHBondContact NE-OD1 3.3Å; R33-D105 IonicContact NH2-OD1 3.45Å; R33-D105 PolarHBondContact NH2-OD1 2.99Å; I101-D105 PolarHBondContact O-N 3.21Å; K102-D105 PolarHBondContact O-N 3.21Å; D105-K107 VanDerWaalsContact C-N 3.3Å; D105-K107 PolarHBondContact O-N 3.01Å; D105-L108 PolarHBondContact O-N 2.85Å; D105-D109 PolarHBondContact O-N 2.81Å |
| 106 | I | 97.3 | Very high | 97 | Very high | 126 Ų | 126 | 70.3 Ų | 70.3 | 65% | 0.646 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.6 | -43.8 | 175.7 | -66 | 164.8 | 0 | 0 | 0 | 111 | K102 D109 G110 | K102-I106 WeakPolarHBondContact O-CG1 3.46Å; K102-I106 PolarHBondContact O-N 3.45Å; K102-I106 VanDerWaalsContact O-N 3.13Å; I106-D109 PolarHBondContact O-N 3.19Å; I106-G110 PolarHBondContact O-N 2.7Å |
| 107 | K | 96.7 | Very high | 97 | Very high | 60 Ų | 60 | 72.6 Ų | 72.6 | 26% | 0.261 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 179.1 | -170.5 | 176.9 | 179.4 | -167.8 | 0 | 112 | E25 L29 R103 L104 D105 G110 L111 F319 | E25-K107 WeakPolarHBondContact OE1-CE 3.2Å; E25-K107 IonicContact OE1-NZ 3.23Å; E25-K107 PolarHBondContact OE1-NZ 2.92Å; L29-K107 HydrophobicContact CD1-CD 3.73Å; L29-K107 HydrophobicContact CD1-CG 3.92Å; L29-K107 HydrophobicContact CD2-CD 4.15Å; R103-K107 PolarHBondContact O-N 3.16Å; R103-K107 VanDerWaalsContact O-N 3.1Å; L104-K107 PolarHBondContact O-N 2.95Å; D105-K107 VanDerWaalsContact C-N 3.3Å; D105-K107 PolarHBondContact O-N 3.01Å; K107-G110 PolarHBondContact O-N 2.83Å; K107-L111 HydrophobicContact CG-CD1 4.39Å; K107-L111 WeakPolarHBondContact O-CG 3.4Å; K107-L111 PolarHBondContact O-N 3.34Å; K107-F319 HydrophobicContact CD-CZ 4.43Å |
| 108 | L | 97.8 | Very high | 97 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 176.4 | -81.1 | 169.7 | 0 | 0 | 0 | 111.4 | I26 L29 E30 L104 D105 G110 L111 R112 | I26-L108 HydrophobicContact CG2-CD2 4.13Å; L29-L108 HydrophobicContact CB-CD2 3.73Å; L29-L108 HydrophobicContact CB-CG 4.11Å; L29-L108 HydrophobicContact CD1-CD2 4.34Å; E30-L108 HydrophobicContact CG-CD1 4.12Å; E30-L108 HydrophobicContact CG-CD2 3.84Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 WeakPolarHBondContact O-CG 3.3Å; L104-L108 PolarHBondContact O-N 2.9Å; D105-L108 PolarHBondContact O-N 2.85Å; L108-G110 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 2.99Å; L108-L111 PolarHBondContact O-N 3.13Å; L108-R112 WeakPolarHBondContact O-CB 3.43Å; L108-R112 VanDerWaalsContact O-CG 3.25Å; L108-R112 WeakPolarHBondContact O-CG 3.48Å; L108-R112 PolarHBondContact O-N 3.13Å |
| 109 | D | 97.5 | Very high | 97 | Very high | 79 Ų | 79 | 72.5 Ų | 72.5 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 176.5 | -71.3 | -18.8 | 0 | 0 | 0 | 111.3 | D105 I106 L111 R112 Q113 | D105-D109 PolarHBondContact O-N 2.81Å; I106-D109 PolarHBondContact O-N 3.19Å; D109-L111 PolarHBondContact O-N 3.48Å; D109-R112 PolarHBondContact O-N 2.91Å; D109-R112 IonicContact OD1-NH1 3.95Å; D109-Q113 VanDerWaalsContact O-CG 3.32Å; D109-Q113 WeakPolarHBondContact O-CG 3.48Å; D109-Q113 PolarHBondContact O-N 3.33Å |
| 110 | G | 97.5 | Very high | 97 | Very high | 36 Ų | 36 | 69.5 Ų | 69.5 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I106 K107 L108 Q113 Q114 | I106-G110 PolarHBondContact O-N 2.7Å; K107-G110 PolarHBondContact O-N 2.83Å; L108-G110 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 2.99Å; G110-Q113 PolarHBondContact O-N 3.37Å; G110-Q114 WeakPolarHBondContact O-CB 3.49Å; G110-Q114 PolarHBondContact O-N 3.43Å |
| 111 | L | 97.4 | Very high | 96.9 | Very high | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 177.8 | -71.9 | 168.7 | 0 | 0 | 0 | 112.8 | T22 E25 I26 L29 K107 L108 D109 Q114 K115 | T22-L111 HydrophobicContact CG2-CB 4.42Å; T22-L111 HydrophobicContact CG2-CD2 4.19Å; E25-L111 HydrophobicContact CB-CD1 4.25Å; E25-L111 HydrophobicContact CG-CD1 3.73Å; E25-L111 WeakPolarHBondContact OE2-CD2 3.39Å; I26-L111 HydrophobicContact CD1-CB 4.16Å; I26-L111 HydrophobicContact CG1-CB 3.74Å; I26-L111 HydrophobicContact CG1-CD1 4.23Å; L29-L111 HydrophobicContact CD1-CD1 3.29Å; K107-L111 HydrophobicContact CG-CD1 4.39Å; K107-L111 WeakPolarHBondContact O-CG 3.4Å; K107-L111 PolarHBondContact O-N 3.34Å; L108-L111 PolarHBondContact O-N 3.13Å; D109-L111 PolarHBondContact O-N 3.48Å; L111-Q114 PolarHBondContact O-N 3.21Å; L111-K115 WeakPolarHBondContact O-CB 3.38Å; L111-K115 PolarHBondContact O-N 3.26Å |
| 112 | R | 97.4 | Very high | 96.8 | Very high | 115 Ų | 115 | 74.2 Ų | 74.2 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 174.4 | -74.1 | 168.7 | 178 | 173.2 | -1.1 | 111.1 | I26 E30 L108 D109 K115 T116 | I26-R112 HydrophobicContact CD1-CG 4.41Å; E30-R112 IonicContact OE1-CZ 3.04Å; E30-R112 IonicContact OE1-NH2 3.38Å; E30-R112 PolarHBondContact OE1-NH2 3.07Å; L108-R112 WeakPolarHBondContact O-CB 3.43Å; L108-R112 VanDerWaalsContact O-CG 3.25Å; L108-R112 WeakPolarHBondContact O-CG 3.48Å; L108-R112 PolarHBondContact O-N 3.13Å; D109-R112 PolarHBondContact O-N 2.91Å; D109-R112 IonicContact OD1-NH1 3.95Å; R112-K115 PolarHBondContact O-N 3.12Å; R112-T116 PolarHBondContact O-N 2.98Å; R112-T116 PolarHBondContact O-OG1 2.95Å |
| 113 | Q | 97.4 | Very high | 96.6 | Very high | 139 Ų | 139 | 69.7 Ų | 69.7 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.2 | -44.2 | 173.5 | -69.7 | 173 | 19.6 | 0 | 0 | 111.7 | D109 G110 K115 T116 L117 | D109-Q113 VanDerWaalsContact O-CG 3.32Å; D109-Q113 WeakPolarHBondContact O-CG 3.48Å; D109-Q113 PolarHBondContact O-N 3.33Å; G110-Q113 PolarHBondContact O-N 3.37Å; Q113-K115 VanDerWaalsContact C-N 3.33Å; Q113-K115 PolarHBondContact O-N 2.98Å; Q113-T116 PolarHBondContact O-N 2.95Å; Q113-L117 PolarHBondContact O-N 3.31Å |
| 114 | Q | 97 | Very high | 96.4 | Very high | 92 Ų | 92 | 69.1 Ų | 69.1 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 174.7 | 175.7 | 177.8 | -31.8 | 0 | 0 | 111.7 | T22 G110 L111 T116 L117 L118 | T22-Q114 HydrophobicContact CG2-CG 4.45Å; T22-Q114 PolarHBondContact OG1-NE2 2.91Å; G110-Q114 WeakPolarHBondContact O-CB 3.49Å; G110-Q114 PolarHBondContact O-N 3.43Å; L111-Q114 PolarHBondContact O-N 3.21Å; Q114-T116 PolarHBondContact O-N 3.49Å; Q114-L117 PolarHBondContact O-N 2.91Å; Q114-L118 HydrophobicContact CG-CD1 4.12Å; Q114-L118 WeakPolarHBondContact O-CG 3.5Å; Q114-L118 PolarHBondContact O-N 3.23Å |
| 115 | K | 97 | Very high | 96.1 | Very high | 64 Ų | 64 | 69.1 Ų | 69.1 | 28% | 0.278 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 176.3 | -178.1 | -179 | 178.5 | 174.8 | 0 | 111.5 | T22 E23 I26 L111 R112 Q113 L118 N119 | T22-K115 HydrophobicContact CG2-CB 4.11Å; E23-K115 HydrophobicContact CG-CD 4.13Å; E23-K115 WeakPolarHBondContact OE1-CE 3.1Å; E23-K115 IonicContact OE1-NZ 3.88Å; E23-K115 PolarHBondContact OE1-NZ 2.88Å; I26-K115 HydrophobicContact CD1-CD 4.31Å; L111-K115 WeakPolarHBondContact O-CB 3.38Å; L111-K115 PolarHBondContact O-N 3.26Å; R112-K115 PolarHBondContact O-N 3.12Å; Q113-K115 VanDerWaalsContact C-N 3.33Å; Q113-K115 PolarHBondContact O-N 2.98Å; K115-L118 PolarHBondContact O-N 3.33Å; K115-N119 PolarHBondContact O-N 3.43Å; K115-N119 PolarHBondContact O-ND2 3.02Å |
| 116 | T | 97.2 | Very high | 95.8 | Very high | 83 Ų | 83 | 72.8 Ų | 72.8 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 175.7 | -59 | 0 | 0 | 0 | 0 | 110.9 | R112 Q113 Q114 L118 N119 D120 | R112-T116 PolarHBondContact O-N 2.98Å; R112-T116 PolarHBondContact O-OG1 2.95Å; Q113-T116 PolarHBondContact O-N 2.95Å; Q114-T116 PolarHBondContact O-N 3.49Å; T116-L118 VanDerWaalsContact C-N 3.3Å; T116-L118 PolarHBondContact O-N 3.35Å; T116-N119 WeakPolarHBondContact O-CB 3.47Å; T116-N119 PolarHBondContact O-N 3.25Å; T116-N119 VanDerWaalsContact O-N 3.09Å; T116-D120 PolarHBondContact O-N 3.24Å |
| 117 | L | 96.8 | Very high | 95.4 | Very high | 87 Ų | 87 | 71.6 Ų | 71.6 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 178.1 | -178.4 | 64.1 | 0 | 0 | 0 | 112.7 | Q113 Q114 D120 R121 | Q113-L117 PolarHBondContact O-N 3.31Å; Q114-L117 PolarHBondContact O-N 2.91Å; L117-D120 PolarHBondContact O-N 3.07Å; L117-R121 VanDerWaalsContact O-CG 3.28Å; L117-R121 WeakPolarHBondContact O-CG 3.39Å; L117-R121 PolarHBondContact O-N 3.08Å |
| 118 | L | 96.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 71.4 Ų | 71.4 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 175.5 | -73 | 171.9 | 0 | 0 | 0 | 112 | D18 I19 Q114 K115 T116 R121 I122 | D18-L118 HydrophobicContact CB-CD1 4.17Å; D18-L118 HydrophobicContact CB-CD2 4.33Å; I19-L118 HydrophobicContact CD1-CB 4.01Å; I19-L118 HydrophobicContact CG1-CB 3.57Å; I19-L118 HydrophobicContact CG1-CD1 4.03Å; I19-L118 HydrophobicContact CG1-CG 4.41Å; Q114-L118 HydrophobicContact CG-CD1 4.12Å; Q114-L118 WeakPolarHBondContact O-CG 3.5Å; Q114-L118 PolarHBondContact O-N 3.23Å; K115-L118 PolarHBondContact O-N 3.33Å; T116-L118 VanDerWaalsContact C-N 3.3Å; T116-L118 PolarHBondContact O-N 3.35Å; L118-R121 WeakPolarHBondContact O-CB 3.5Å; L118-R121 PolarHBondContact O-N 3.06Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 3.2Å |
| 119 | N | 96.7 | Very high | 94.2 | Very high | 70 Ų | 70 | 73.7 Ų | 73.7 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 174.3 | -78.1 | -61.8 | 0 | 0 | 0 | 111.9 | I19 K115 T116 R121 I122 S123 | I19-N119 WeakPolarHBondContact CD1-OD1 3.27Å; K115-N119 PolarHBondContact O-N 3.43Å; K115-N119 PolarHBondContact O-ND2 3.02Å; T116-N119 WeakPolarHBondContact O-CB 3.47Å; T116-N119 PolarHBondContact O-N 3.25Å; T116-N119 VanDerWaalsContact O-N 3.09Å; N119-R121 VanDerWaalsContact C-N 3.32Å; N119-R121 PolarHBondContact O-N 3.12Å; N119-I122 PolarHBondContact O-N 3.22Å; N119-S123 PolarHBondContact O-N 3.49Å |
| 120 | D | 96.2 | Very high | 93.5 | Very high | 90 Ų | 90 | 73.3 Ų | 73.3 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 175.6 | -65.3 | -20.1 | 0 | 0 | 0 | 111.5 | T116 L117 I122 S123 Y124 | T116-D120 PolarHBondContact O-N 3.24Å; L117-D120 PolarHBondContact O-N 3.07Å; D120-I122 PolarHBondContact O-N 3.32Å; D120-S123 PolarHBondContact O-N 3.04Å; D120-S123 PolarHBondContact O-OG 2.69Å; D120-Y124 WeakPolarHBondContact O-CB 3.5Å; D120-Y124 PolarHBondContact O-N 3.26Å |
| 121 | R | 94.5 | Very high | 92.2 | Very high | 131 Ų | 131 | 77.2 Ų | 77.2 | 49% | 0.494 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 173.9 | -74.5 | 170 | 176.5 | 177.1 | 0.4 | 112.4 | L117 L118 N119 T125 | L117-R121 VanDerWaalsContact O-CG 3.28Å; L117-R121 WeakPolarHBondContact O-CG 3.39Å; L117-R121 PolarHBondContact O-N 3.08Å; L118-R121 WeakPolarHBondContact O-CB 3.5Å; L118-R121 PolarHBondContact O-N 3.06Å; N119-R121 VanDerWaalsContact C-N 3.32Å; N119-R121 PolarHBondContact O-N 3.12Å; R121-T125 WeakPolarHBondContact O-CB 3.43Å; R121-T125 PolarHBondContact O-N 3.03Å; R121-T125 PolarHBondContact O-OG1 3.28Å |
| 122 | I | 95 | Very high | 90.5 | Very high | 15 Ų | 15 | 81.3 Ų | 81.3 | 8% | 0.077 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 175.1 | -71.6 | -179.3 | 0 | 0 | 0 | 110.5 | L12 Q15 T16 I19 L118 N119 D120 Y124 T125 K126 | L12-I122 HydrophobicContact CD2-CG2 4.26Å; Q15-I122 HydrophobicContact CB-CD1 3.9Å; Q15-I122 HydrophobicContact CB-CG1 3.53Å; Q15-I122 HydrophobicContact CG-CG1 4.29Å; T16-I122 HydrophobicContact CG2-CD1 4.07Å; I19-I122 HydrophobicContact CD1-CD1 3.28Å; I19-I122 HydrophobicContact CD1-CG1 4.31Å; I19-I122 HydrophobicContact CG1-CD1 4.33Å; L118-I122 WeakPolarHBondContact O-CG1 3.45Å; L118-I122 PolarHBondContact O-N 3.2Å; N119-I122 PolarHBondContact O-N 3.22Å; D120-I122 PolarHBondContact O-N 3.32Å; I122-Y124 VanDerWaalsContact C-N 3.35Å; I122-Y124 PolarHBondContact O-N 3.02Å; I122-T125 PolarHBondContact O-N 3.48Å; I122-K126 HydrophobicContact CG2-CD 4.01Å; I122-K126 VanDerWaalsContact CG2-CE 3.5Å; I122-K126 HydrophobicContact CG2-CG 4.43Å; I122-K126 VanDerWaalsContact O-CG 3.31Å; I122-K126 WeakPolarHBondContact O-CG 3.5Å; I122-K126 PolarHBondContact O-N 3.35Å |
| 123 | S | 93.7 | Very high | 88.4 | Confident | 51 Ų | 51 | 82.7 Ų | 82.7 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 179.6 | 75.4 | 0 | 0 | 0 | 0 | 111.1 | N119 D120 K126 Q127 | N119-S123 PolarHBondContact O-N 3.49Å; D120-S123 PolarHBondContact O-N 3.04Å; D120-S123 PolarHBondContact O-OG 2.69Å; S123-K126 PolarHBondContact O-N 2.85Å; S123-Q127 WeakPolarHBondContact O-CG 3.1Å; S123-Q127 PolarHBondContact O-N 2.96Å |
| 124 | Y | 91.7 | Very high | 86.2 | Confident | 140 Ų | 140 | 81.7 Ų | 81.7 | 55% | 0.549 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 174.5 | -177 | -108 | 0 | 0 | 0 | 112.4 | D120 I122 K126 Q127 L128 | D120-Y124 WeakPolarHBondContact O-CB 3.5Å; D120-Y124 PolarHBondContact O-N 3.26Å; I122-Y124 VanDerWaalsContact C-N 3.35Å; I122-Y124 PolarHBondContact O-N 3.02Å; Y124-K126 VanDerWaalsContact C-N 3.31Å; Y124-K126 PolarHBondContact O-N 2.9Å; Y124-Q127 WeakPolarHBondContact O-CB 3.35Å; Y124-Q127 PolarHBondContact O-N 3.36Å; Y124-Q127 VanDerWaalsContact O-N 3.15Å; Y124-L128 HydrophobicContact CD1-CD1 3.92Å; Y124-L128 HydrophobicContact CD1-CG 4.33Å; Y124-L128 HydrophobicContact CE1-CD1 3.42Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.42Å; Y124-L128 HydrophobicContact CE1-CD2 4.42Å; Y124-L128 HydrophobicContact CE1-CG 3.97Å; Y124-L128 HydrophobicContact CE2-CD2 4.46Å; Y124-L128 HydrophobicContact CE2-CG 4.46Å; Y124-L128 WeakPolarHBondContact O-CG 3.38Å; Y124-L128 PolarHBondContact O-N 2.89Å |
| 125 | T | 90.5 | Very high | 83.7 | Confident | 7 Ų | 7 | 80.4 Ų | 80.4 | 4% | 0.043 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 177.7 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | F8 L11 L12 Q15 R121 I122 L128 V129 | F8-T125 HydrophobicContact CD1-CG2 4.29Å; L11-T125 HydrophobicContact CD2-CG2 3.72Å; L11-T125 HydrophobicContact CG-CG2 4.15Å; L12-T125 HydrophobicContact CD2-CG2 3.8Å; L12-T125 HydrophobicContact CG-CG2 3.94Å; Q15-T125 PolarHBondContact NE2-OG1 3.47Å; Q15-T125 PolarHBondContact OE1-OG1 3.44Å; R121-T125 WeakPolarHBondContact O-CB 3.43Å; R121-T125 PolarHBondContact O-N 3.03Å; R121-T125 PolarHBondContact O-OG1 3.28Å; I122-T125 PolarHBondContact O-N 3.48Å; T125-L128 PolarHBondContact O-N 3.17Å; T125-V129 WeakPolarHBondContact O-CG2 3.48Å; T125-V129 PolarHBondContact O-N 3.22Å; T125-V129 VanDerWaalsContact O-N 3.1Å |
| 126 | K | 90.1 | Very high | 81.3 | Confident | 120 Ų | 120 | 83.2 Ų | 83.2 | 52% | 0.522 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 173.9 | -72.6 | 172.8 | 178.8 | 176 | 0 | 111.8 | L12 I122 S123 Y124 L128 V129 S130 | L12-K126 HydrophobicContact CD2-CG 4.17Å; I122-K126 HydrophobicContact CG2-CD 4.01Å; I122-K126 VanDerWaalsContact CG2-CE 3.5Å; I122-K126 HydrophobicContact CG2-CG 4.43Å; I122-K126 VanDerWaalsContact O-CG 3.31Å; I122-K126 WeakPolarHBondContact O-CG 3.5Å; I122-K126 PolarHBondContact O-N 3.35Å; S123-K126 PolarHBondContact O-N 2.85Å; Y124-K126 VanDerWaalsContact C-N 3.31Å; Y124-K126 PolarHBondContact O-N 2.9Å; K126-L128 PolarHBondContact O-N 2.98Å; K126-V129 PolarHBondContact O-N 3.31Å; K126-S130 PolarHBondContact O-N 3.18Å; K126-S130 PolarHBondContact O-OG 3.26Å |
| 127 | Q | 88.7 | Confident | 78.7 | Confident | 101 Ų | 101 | 84.5 Ų | 84.5 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 176.1 | -71.8 | 174.1 | 20.4 | 0 | 0 | 112 | S123 Y124 V129 S130 Q131 | S123-Q127 WeakPolarHBondContact O-CG 3.1Å; S123-Q127 PolarHBondContact O-N 2.96Å; Y124-Q127 WeakPolarHBondContact O-CB 3.35Å; Y124-Q127 PolarHBondContact O-N 3.36Å; Y124-Q127 VanDerWaalsContact O-N 3.15Å; Q127-V129 VanDerWaalsContact C-N 3.34Å; Q127-V129 PolarHBondContact O-N 3.37Å; Q127-S130 PolarHBondContact O-N 3.23Å; Q127-Q131 WeakPolarHBondContact O-CB 3.34Å; Q127-Q131 WeakPolarHBondContact O-CG 3.08Å; Q127-Q131 PolarHBondContact O-N 3.47Å |
| 128 | L | 85.6 | Confident | 76.1 | Confident | 57 Ų | 57 | 87.3 Ų | 87.3 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 176.4 | -71.1 | 180 | 0 | 0 | 0 | 112.8 | F8 Y124 T125 K126 K132 | F8-L128 HydrophobicContact CE1-CB 4.48Å; Y124-L128 HydrophobicContact CD1-CD1 3.92Å; Y124-L128 HydrophobicContact CD1-CG 4.33Å; Y124-L128 HydrophobicContact CE1-CD1 3.42Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.42Å; Y124-L128 HydrophobicContact CE1-CD2 4.42Å; Y124-L128 HydrophobicContact CE1-CG 3.97Å; Y124-L128 HydrophobicContact CE2-CD2 4.46Å; Y124-L128 HydrophobicContact CE2-CG 4.46Å; Y124-L128 WeakPolarHBondContact O-CG 3.38Å; Y124-L128 PolarHBondContact O-N 2.89Å; T125-L128 PolarHBondContact O-N 3.17Å; K126-L128 PolarHBondContact O-N 2.98Å; L128-K132 VanDerWaalsContact O-CB 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.34Å; L128-K132 PolarHBondContact O-N 3.42Å; L128-K132 VanDerWaalsContact O-N 3.17Å |
| 129 | V | 84.3 | Confident | 73.3 | Confident | 50 Ų | 50 | 94 Ų | 94 | 30% | 0.303 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | F8 T125 K126 Q127 | F8-V129 HydrophobicContact CB-CG2 3.63Å; F8-V129 HydrophobicContact CD1-CG2 3.79Å; F8-V129 HydrophobicContact CD2-CG2 3.92Å; F8-V129 HydrophobicContact CE1-CG2 4.42Å; F8-V129 HydrophobicContact CG-CG2 3.52Å; T125-V129 WeakPolarHBondContact O-CG2 3.48Å; T125-V129 PolarHBondContact O-N 3.22Å; T125-V129 VanDerWaalsContact O-N 3.1Å; K126-V129 PolarHBondContact O-N 3.31Å; Q127-V129 VanDerWaalsContact C-N 3.34Å; Q127-V129 PolarHBondContact O-N 3.37Å |
| 130 | S | 82 | Confident | 70.9 | Confident | 72 Ų | 72 | 95.9 Ų | 95.9 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.5 | -44.7 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 113.5 | K126 Q127 K132 L133 | K126-S130 PolarHBondContact O-N 3.18Å; K126-S130 PolarHBondContact O-OG 3.26Å; Q127-S130 PolarHBondContact O-N 3.23Å; S130-K132 VanDerWaalsContact C-N 3.28Å; S130-K132 PolarHBondContact O-N 3.02Å; S130-L133 WeakPolarHBondContact O-CB 3.27Å; S130-L133 PolarHBondContact O-N 3.02Å; S130-L133 VanDerWaalsContact O-N 3.15Å |
| 131 | Q | 71.2 | Confident | 68.4 | Low | 117 Ų | 117 | 96.8 Ų | 96.8 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 179 | -74 | 174.3 | 1.4 | 0 | 0 | 111.5 | Q127 L133 I134 | Q127-Q131 WeakPolarHBondContact O-CB 3.34Å; Q127-Q131 WeakPolarHBondContact O-CG 3.08Å; Q127-Q131 PolarHBondContact O-N 3.47Å; Q131-L133 PolarHBondContact O-N 2.7Å; Q131-I134 WeakPolarHBondContact O-CB 3.48Å; Q131-I134 PolarHBondContact O-N 3.43Å |
| 132 | K | 60.3 | Low | 65.9 | Low | 96 Ų | 96 | 95.9 Ų | 95.9 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.2 | 176 | -169.6 | 168.9 | -172.4 | 159.9 | 0 | 114.1 | N4 F8 L128 S130 I134 | N4-K132 VanDerWaalsContact CB-NZ 3.34Å; N4-K132 VanDerWaalsContact CG-NZ 3.34Å; N4-K132 PolarHBondContact ND2-NZ 3.39Å; F8-K132 HydrophobicContact CE2-CD 4.04Å; L128-K132 VanDerWaalsContact O-CB 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.34Å; L128-K132 PolarHBondContact O-N 3.42Å; L128-K132 VanDerWaalsContact O-N 3.17Å; S130-K132 VanDerWaalsContact C-N 3.28Å; S130-K132 PolarHBondContact O-N 3.02Å; K132-I134 PolarHBondContact O-N 3.44Å |
| 133 | L | 53 | Low | 63 | Low | 144 Ų | 144 | 100.9 Ų | 100.9 | 75% | 0.754 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -5.7 | 172.7 | -65.2 | 169 | 0 | 0 | 0 | 112.4 | S130 Q131 | S130-L133 WeakPolarHBondContact O-CB 3.27Å; S130-L133 PolarHBondContact O-N 3.02Å; S130-L133 VanDerWaalsContact O-N 3.15Å; Q131-L133 PolarHBondContact O-N 2.7Å |
| 134 | I | 51.3 | Low | 60.5 | Low | 118 Ų | 118 | 104.7 Ų | 104.7 | 61% | 0.605 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -109.5 | 100.5 | 177.1 | -54.7 | 170.9 | 0 | 0 | 0 | 107.5 | Q131 K132 | Q131-I134 WeakPolarHBondContact O-CB 3.48Å; Q131-I134 PolarHBondContact O-N 3.43Å; K132-I134 PolarHBondContact O-N 3.44Å |
| 135 | S | 45.3 | Very low | 57.9 | Low | 66 Ų | 66 | 109.1 Ų | 109.1 | 46% | 0.462 | 59% | 0.591 | S | S | . | * | trans | 71.7 | 85.3 | 154.4 | -46.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 136 | I | 45.9 | Very low | 55.5 | Low | 123 Ų | 123 | 115.5 Ų | 115.5 | 63% | 0.631 | 63% | 0.625 | S | S | * | * | trans | -111.9 | 95.1 | 138.2 | -56.7 | 171.8 | 0 | 0 | 0 | 106 | K138 | I136-K138 HydrophobicContact CG2-CG 4.35Å; I136-K138 PolarHBondContact O-N 3.07Å | ||
| 137 | P | 44.4 | Very low | 53.2 | Low | 110 Ų | 110 | 121 Ų | 121 | 71% | 0.714 | 64% | 0.643 | S | S | * | * | trans | -70.8 | 92 | 164.8 | 24 | -17.9 | 0 | 0 | 0 | 106.8 | ||||
| 138 | K | 41.7 | Very low | 51.2 | Low | 146 Ų | 146 | 123.8 Ų | 123.8 | 64% | 0.635 | 66% | 0.659 | S | S | * | * | trans | -57.8 | 133.7 | 147.7 | -70.3 | -175.9 | 175.1 | -173.9 | 0 | 105.4 | I136 | I136-K138 HydrophobicContact CG2-CG 4.35Å; I136-K138 PolarHBondContact O-N 3.07Å | ||
| 139 | D | 37.2 | Very low | 49 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 80% | 0.802 | 69% | 0.687 | S | S | * | * | trans | 96.5 | 84 | 173.7 | -37.9 | -23.5 | 0 | 0 | 0 | 113.7 | ||||
| 140 | S | 46.3 | Very low | 46.8 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | -170.2 | 99.1 | 127.3 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 141 | S | 43.6 | Very low | 44.5 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | -49.3 | 151.2 | 141.8 | 47.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 142 | T | 43.4 | Very low | 43.3 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | trans | 94 | 83.4 | 170.9 | -30.2 | 0 | 0 | 0 | 0 | 114.5 | T144 | T142-T144 PolarHBondContact O-N 3.08Š| ||
| 143 | C | 33.7 | Very low | 42.8 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -19.8 | 108.9 | 136.4 | 42.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 144 | T | 40.6 | Very low | 42.5 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -152.8 | 112.8 | 142.7 | -63.4 | 0 | 0 | 0 | 0 | 108.5 | T142 D146 | T142-T144 PolarHBondContact O-N 3.08Å; T144-D146 PolarHBondContact O-N 2.77Å | ||
| 145 | R | 37.6 | Very low | 42.6 | Very low | 233 Ų | 233 | 135 Ų | 135 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | trans | -74.7 | 105.7 | 174.3 | 176 | -177.6 | 175.2 | 130.2 | -1.5 | 107.6 | ||||
| 146 | D | 39.9 | Very low | 43.2 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | 176.3 | 122.2 | 142.9 | -91.7 | -19.2 | 0 | 0 | 0 | 113.6 | T144 | T144-D146 PolarHBondContact O-N 2.77Š| ||
| 147 | R | 42.3 | Very low | 43.9 | Very low | 236 Ų | 236 | 142.1 Ų | 142.1 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | 45.4 | 102 | 150 | -76.3 | 178.8 | 160.8 | 172 | -3.7 | 120.6 | ||||
| 148 | I | 46.5 | Very low | 44.7 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -154.3 | 100.8 | 135.8 | -52.4 | -175.5 | 0 | 0 | 0 | 107.3 | ||||
| 149 | V | 38.9 | Very low | 46 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | 41.8 | 104.4 | 104.8 | -176.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 150 | G | 38.6 | Very low | 47.8 | Very low | 68 Ų | 68 | 143.6 Ų | 143.6 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 138.8 | 98.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I152 | G150-I152 PolarHBondContact O-N 3.03Š| ||
| 151 | G | 32.4 | Very low | 49.4 | Very low | 86 Ų | 86 | 148.4 Ų | 148.4 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -57.6 | 120.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 152 | I | 46.6 | Very low | 51 | Low | 132 Ų | 132 | 151 Ų | 151 | 68% | 0.677 | 78% | 0.78 | S | S | * | * | trans | -124 | 105.2 | 155.1 | -62 | 174.9 | 0 | 0 | 0 | 102.9 | G150 D154 | G150-I152 PolarHBondContact O-N 3.03Å; I152-D154 PolarHBondContact O-N 3.31Å | ||
| 153 | E | 49.7 | Very low | 52.9 | Low | 185 Ų | 185 | 154.9 Ų | 154.9 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -60.8 | 103.6 | 179.5 | -71.6 | -179.4 | 156.7 | 0 | 0 | 109 | ||||
| 154 | D | 47.3 | Very low | 55.3 | Low | 109 Ų | 109 | 156.8 Ų | 156.8 | 58% | 0.583 | 78% | 0.781 | S | S | * | * | trans | 20.8 | 111 | 143 | -54.9 | -29.9 | 0 | 0 | 0 | 115.8 | I152 K156 | I152-D154 PolarHBondContact O-N 3.31Å; D154-K156 HydrophobicContact CB-CD 4.14Å; D154-K156 HydrophobicContact CB-CG 3.41Å; D154-K156 VanDerWaalsContact CB-CG 3.41Å; D154-K156 PolarHBondContact O-N 2.87Å; D154-K156 WeakPolarHBondContact OD2-CE 3.46Å; D154-K156 IonicContact OD2-NZ 3.68Å | ||
| 155 | D | 53.1 | Low | 57.6 | Low | 162 Ų | 162 | 155.1 Ų | 155.1 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | -56.9 | 78.1 | 145.9 | -67.7 | -39.5 | 0 | 0 | 0 | 108.2 | E157 | D155-E157 PolarHBondContact O-N 3.4Š| ||
| 156 | K | 56.9 | Low | 60 | Low | 147 Ų | 147 | 146.8 Ų | 146.8 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | trans | -75.7 | 97.3 | 175.6 | -65 | -174.8 | -176.7 | 173.2 | 0 | 107 | D154 I158 | D154-K156 HydrophobicContact CB-CD 4.14Å; D154-K156 HydrophobicContact CB-CG 3.41Å; D154-K156 VanDerWaalsContact CB-CG 3.41Å; D154-K156 PolarHBondContact O-N 2.87Å; D154-K156 WeakPolarHBondContact OD2-CE 3.46Å; D154-K156 IonicContact OD2-NZ 3.68Å; K156-I158 VanDerWaalsContact C-N 3.29Å; K156-I158 PolarHBondContact O-N 3.07Å | ||
| 157 | E | 61.5 | Low | 62.5 | Low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | trans | -49.9 | 105.4 | 149 | -68.1 | -179.3 | 175.9 | 0 | 0 | 106.7 | D155 E159 | D155-E157 PolarHBondContact O-N 3.4Å; E157-E159 VanDerWaalsContact C-N 3.29Å; E157-E159 PolarHBondContact O-N 3.14Å | ||
| 158 | I | 60.4 | Low | 64.9 | Low | 146 Ų | 146 | 136.3 Ų | 136.3 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -75.4 | 92.6 | 174 | -55.4 | 173.3 | 0 | 0 | 0 | 104.9 | K156 I160 | K156-I158 VanDerWaalsContact C-N 3.29Å; K156-I158 PolarHBondContact O-N 3.07Å; I158-I160 PolarHBondContact O-N 3.36Å | ||
| 159 | E | 70.1 | Confident | 66.9 | Low | 154 Ų | 154 | 131 Ų | 131 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | trans | -58.7 | 112.4 | 167.6 | -173.7 | -178.1 | -177.6 | 0 | 0 | 107.2 | E157 R161 | E157-E159 VanDerWaalsContact C-N 3.29Å; E157-E159 PolarHBondContact O-N 3.14Å; E159-R161 HydrophobicContact CG-CB 4.5Å; E159-R161 PolarHBondContact O-N 3.44Å | ||
| 160 | I | 74 | Confident | 69.5 | Low | 138 Ų | 138 | 127.4 Ų | 127.4 | 71% | 0.708 | 66% | 0.66 | S | S | * | * | trans | -72.7 | 82.8 | 174.5 | -56.3 | 174.2 | 0 | 0 | 0 | 106.6 | I158 E162 | I158-I160 PolarHBondContact O-N 3.36Å; I160-E162 HydrophobicContact CG2-CG 4.05Å; I160-E162 PolarHBondContact O-N 3.48Å | ||
| 161 | R | 79.8 | Confident | 72.1 | Confident | 211 Ų | 211 | 130.8 Ų | 130.8 | 80% | 0.796 | 66% | 0.657 | S | S | * | * | trans | -95 | 84.7 | 174.5 | -159.6 | 174.6 | -169.3 | -171.5 | 3.6 | 108.5 | E159 E163 | E159-R161 HydrophobicContact CG-CB 4.5Å; E159-R161 PolarHBondContact O-N 3.44Å; R161-E163 PolarHBondContact O-N 3.46Å | ||
| 162 | E | 78.4 | Confident | 74.9 | Confident | 164 Ų | 164 | 133.4 Ų | 133.4 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | trans | -66.8 | 129.1 | 170.1 | -65.9 | 175.4 | -174.9 | 0 | 0 | 108.6 | I160 Y164 | I160-E162 HydrophobicContact CG2-CG 4.05Å; I160-E162 PolarHBondContact O-N 3.48Å; E162-Y164 PolarHBondContact O-N 2.88Å | ||
| 163 | E | 83.2 | Confident | 77.1 | Confident | 192 Ų | 192 | 133.5 Ų | 133.5 | 90% | 0.897 | 63% | 0.632 | S | S | * | * | trans | -66.2 | 116.5 | 173.6 | -67.4 | -177.5 | 176.2 | 0 | 0 | 108.7 | R161 D165 | R161-E163 PolarHBondContact O-N 3.46Å; E163-D165 PolarHBondContact O-N 3.34Å; E163-D165 VanDerWaalsContact O-N 3.16Å | ||
| 164 | Y | 84.3 | Confident | 79.3 | Confident | 160 Ų | 160 | 131.1 Ų | 131.1 | 63% | 0.627 | 62% | 0.619 | S | S | * | * | trans | -74.2 | 104.4 | 177.8 | -179.5 | -100.6 | 0 | 0 | 0 | 110.3 | E162 E169 | E162-Y164 PolarHBondContact O-N 2.88Å; Y164-E169 HydrophobicContact CE2-CB 3.96Å; Y164-E169 HydrophobicContact CE2-CG 3.92Å; Y164-E169 WeakPolarHBondContact OH-CG 3.35Å | ||
| 165 | D | 87.5 | Confident | 81.5 | Confident | 97 Ų | 97 | 133.7 Ų | 133.7 | 52% | 0.519 | 63% | 0.625 | S | S | . | * | trans | -90.4 | 107.2 | 169 | -178.5 | -3.5 | 0 | 0 | 0 | 109.8 | E163 D167 A168 E169 | E163-D165 PolarHBondContact O-N 3.34Å; E163-D165 VanDerWaalsContact O-N 3.16Å; D165-D167 VanDerWaalsContact C-N 3.29Å; D165-D167 PolarHBondContact O-N 2.91Å; D165-D167 PolarHBondContact OD1-N 3.17Å; D165-A168 HydrophobicContact CB-CB 3.78Å; D165-A168 PolarHBondContact O-N 2.98Å; D165-A168 PolarHBondContact OD1-N 3.05Å; D165-A168 WeakPolarHBondContact OD2-CB 3.4Å; D165-E169 PolarHBondContact O-N 3Å | ||
| 166 | S | 89.3 | Confident | 83.4 | Confident | 58 Ų | 58 | 129.6 Ų | 129.6 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58.9 | -39 | -179.9 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | E169 I170 | S166-E169 PolarHBondContact O-N 3.32Å; S166-I170 WeakPolarHBondContact O-CD1 3.49Å; S166-I170 VanDerWaalsContact O-CG1 3.23Å; S166-I170 WeakPolarHBondContact O-CG1 3.44Å; S166-I170 PolarHBondContact O-N 3.45Å |
| 167 | D | 92.6 | Very high | 85.2 | Confident | 112 Ų | 112 | 126 Ų | 126 | 60% | 0.599 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.7 | -41.4 | -176.7 | -70.6 | -19.7 | 0 | 0 | 0 | 110 | D165 E169 I170 E171 | D165-D167 VanDerWaalsContact C-N 3.29Å; D165-D167 PolarHBondContact O-N 2.91Å; D165-D167 PolarHBondContact OD1-N 3.17Å; D167-E169 VanDerWaalsContact C-N 3.34Å; D167-E169 PolarHBondContact O-N 3.47Å; D167-I170 PolarHBondContact O-N 3.39Å; D167-E171 WeakPolarHBondContact O-CG 3.48Å; D167-E171 PolarHBondContact O-N 3.45Å |
| 168 | A | 90.9 | Very high | 86.7 | Confident | 43 Ų | 43 | 121.3 Ų | 121.3 | 36% | 0.355 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.7 | -40.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D165 E171 W172 | D165-A168 HydrophobicContact CB-CB 3.78Å; D165-A168 PolarHBondContact O-N 2.98Å; D165-A168 PolarHBondContact OD1-N 3.05Å; D165-A168 WeakPolarHBondContact OD2-CB 3.4Å; A168-E171 PolarHBondContact O-N 3.28Å; A168-W172 WeakPolarHBondContact O-CB 3.32Å; A168-W172 PolarHBondContact O-N 2.92Å |
| 169 | E | 89.6 | Confident | 88.2 | Confident | 49 Ų | 49 | 117.6 Ų | 117.6 | 23% | 0.229 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -65.8 | -39.8 | 176.8 | -179.2 | 64.4 | -167.5 | 0 | 0 | 111.7 | Y164 D165 S166 D167 W172 R173 | Y164-E169 HydrophobicContact CE2-CB 3.96Å; Y164-E169 HydrophobicContact CE2-CG 3.92Å; Y164-E169 WeakPolarHBondContact OH-CG 3.35Å; D165-E169 PolarHBondContact O-N 3Å; S166-E169 PolarHBondContact O-N 3.32Å; D167-E169 VanDerWaalsContact C-N 3.34Å; D167-E169 PolarHBondContact O-N 3.47Å; E169-W172 PolarHBondContact O-N 3.27Å; E169-R173 WeakPolarHBondContact O-CB 3.44Å; E169-R173 WeakPolarHBondContact O-CG 3.48Å; E169-R173 PolarHBondContact O-N 3.41Å; E169-R173 IonicContact OE1-CZ 3.11Å; E169-R173 IonicContact OE1-NE 3.17Å; E169-R173 PolarHBondContact OE1-NE 2.97Å; E169-R173 VanDerWaalsContact OE1-NE 3.17Å; E169-R173 IonicContact OE1-NH2 2.75Å; E169-R173 PolarHBondContact OE1-NH2 2.95Å |
| 170 | I | 92.8 | Very high | 89.2 | Confident | 72 Ų | 72 | 115.8 Ų | 115.8 | 37% | 0.369 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 175.6 | -68.5 | 163.7 | 0 | 0 | 0 | 110.7 | S166 D167 R173 K174 | S166-I170 WeakPolarHBondContact O-CD1 3.49Å; S166-I170 VanDerWaalsContact O-CG1 3.23Å; S166-I170 WeakPolarHBondContact O-CG1 3.44Å; S166-I170 PolarHBondContact O-N 3.45Å; D167-I170 PolarHBondContact O-N 3.39Å; I170-R173 PolarHBondContact O-N 3.01Å; I170-K174 HydrophobicContact CG2-CD 4.3Å; I170-K174 WeakPolarHBondContact O-CG 3.29Å; I170-K174 PolarHBondContact O-N 3.39Å |
| 171 | E | 93.7 | Very high | 90.1 | Very high | 139 Ų | 139 | 115 Ų | 115 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.2 | -43.3 | 176 | -73.1 | -171 | 174.6 | 0 | 0 | 111.8 | D167 A168 R173 K174 K175 | D167-E171 WeakPolarHBondContact O-CG 3.48Å; D167-E171 PolarHBondContact O-N 3.45Å; A168-E171 PolarHBondContact O-N 3.28Å; E171-R173 PolarHBondContact O-N 2.89Å; E171-K174 PolarHBondContact O-N 3.38Å; E171-K175 WeakPolarHBondContact O-CB 3.46Å; E171-K175 PolarHBondContact O-N 3.45Å |
| 172 | W | 91.4 | Very high | 90.6 | Very high | 141 Ų | 141 | 111.6 Ų | 111.6 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.9 | -177.8 | 94.2 | 0 | 0 | 0 | 111 | A168 E169 K175 H176 | A168-W172 WeakPolarHBondContact O-CB 3.32Å; A168-W172 PolarHBondContact O-N 2.92Å; E169-W172 PolarHBondContact O-N 3.27Å; W172-K175 PolarHBondContact O-N 3.13Å; W172-H176 HydrophobicContact CE3-CB 4.45Å; W172-H176 HydrophobicContact CH2-CB 4.44Å; W172-H176 AromaticContact CH2-ND1 3.89Å; W172-H176 AromaticContact CZ2-ND1 3.87Å; W172-H176 HydrophobicContact CZ3-CB 4.36Å; W172-H176 VanDerWaalsContact O-CB 3.28Å; W172-H176 WeakPolarHBondContact O-CB 3.47Å; W172-H176 PolarHBondContact O-N 3.45Å |
| 173 | R | 93.2 | Very high | 91.1 | Very high | 134 Ų | 134 | 107.8 Ų | 107.8 | 51% | 0.506 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 175.6 | -79.1 | -176.9 | -178.6 | 138.4 | 12.3 | 112.3 | E169 I170 E171 K175 H176 V177 | E169-R173 WeakPolarHBondContact O-CB 3.44Å; E169-R173 WeakPolarHBondContact O-CG 3.48Å; E169-R173 PolarHBondContact O-N 3.41Å; E169-R173 IonicContact OE1-CZ 3.11Å; E169-R173 IonicContact OE1-NE 3.17Å; E169-R173 PolarHBondContact OE1-NE 2.97Å; E169-R173 VanDerWaalsContact OE1-NE 3.17Å; E169-R173 IonicContact OE1-NH2 2.75Å; E169-R173 PolarHBondContact OE1-NH2 2.95Å; I170-R173 PolarHBondContact O-N 3.01Å; E171-R173 PolarHBondContact O-N 2.89Å; R173-K175 VanDerWaalsContact C-N 3.34Å; R173-K175 PolarHBondContact O-N 3.33Å; R173-H176 PolarHBondContact O-N 3.47Å; R173-V177 WeakPolarHBondContact O-CG2 3.42Å; R173-V177 PolarHBondContact O-N 2.92Å |
| 174 | K | 95.3 | Very high | 91.3 | Very high | 135 Ų | 135 | 107.1 Ų | 107.1 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.1 | -45.3 | 176 | -73.8 | 174.1 | -177.7 | 172.2 | 0 | 111.2 | I170 E171 N178 | I170-K174 HydrophobicContact CG2-CD 4.3Å; I170-K174 WeakPolarHBondContact O-CG 3.29Å; I170-K174 PolarHBondContact O-N 3.39Å; E171-K174 PolarHBondContact O-N 3.38Å; K174-N178 WeakPolarHBondContact O-CB 3.33Å; K174-N178 PolarHBondContact O-N 2.91Å; K174-N178 PolarHBondContact O-ND2 3.21Å |
| 175 | K | 94.3 | Very high | 91.5 | Very high | 162 Ų | 162 | 105.6 Ų | 105.6 | 70% | 0.704 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 176.8 | -172.2 | 179.1 | -179.1 | -179.8 | 0 | 111.7 | E171 W172 R173 N178 S179 | E171-K175 WeakPolarHBondContact O-CB 3.46Å; E171-K175 PolarHBondContact O-N 3.45Å; W172-K175 PolarHBondContact O-N 3.13Å; R173-K175 VanDerWaalsContact C-N 3.34Å; R173-K175 PolarHBondContact O-N 3.33Å; K175-N178 PolarHBondContact O-N 3.31Å; K175-S179 VanDerWaalsContact O-CB 3.27Å; K175-S179 WeakPolarHBondContact O-CB 3.41Å; K175-S179 PolarHBondContact O-N 3.22Å |
| 176 | H | 92 | Very high | 91.4 | Very high | 76 Ų | 76 | 103.6 Ų | 103.6 | 35% | 0.352 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 178.2 | -170 | 88.1 | 0 | 0 | 0 | 111.1 | W172 R173 N178 S179 R180 | W172-H176 HydrophobicContact CE3-CB 4.45Å; W172-H176 HydrophobicContact CH2-CB 4.44Å; W172-H176 AromaticContact CH2-ND1 3.89Å; W172-H176 AromaticContact CZ2-ND1 3.87Å; W172-H176 HydrophobicContact CZ3-CB 4.36Å; W172-H176 VanDerWaalsContact O-CB 3.28Å; W172-H176 WeakPolarHBondContact O-CB 3.47Å; W172-H176 PolarHBondContact O-N 3.45Å; R173-H176 PolarHBondContact O-N 3.47Å; H176-N178 PolarHBondContact O-N 3.28Å; H176-S179 PolarHBondContact O-N 3.27Å; H176-R180 PolarHBondContact NE2-NE 3.11Å; H176-R180 WeakPolarHBondContact O-CB 3.43Å; H176-R180 WeakPolarHBondContact O-CG 3.27Å; H176-R180 PolarHBondContact O-N 2.68Å |
| 177 | V | 94.2 | Very high | 91 | Very high | 73 Ų | 73 | 104.3 Ų | 104.3 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 111 | R173 R180 K181 | R173-V177 WeakPolarHBondContact O-CG2 3.42Å; R173-V177 PolarHBondContact O-N 2.92Å; V177-R180 PolarHBondContact O-N 3.21Å; V177-K181 HydrophobicContact CG1-CD 4.27Å; V177-K181 WeakPolarHBondContact O-CG 3.4Å; V177-K181 PolarHBondContact O-N 3.24Å |
| 178 | N | 94.7 | Very high | 90.5 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 177.6 | -74.5 | -17.4 | 0 | 0 | 0 | 112.5 | K174 K175 H176 K181 Q182 | K174-N178 WeakPolarHBondContact O-CB 3.33Å; K174-N178 PolarHBondContact O-N 2.91Å; K174-N178 PolarHBondContact O-ND2 3.21Å; K175-N178 PolarHBondContact O-N 3.31Å; H176-N178 PolarHBondContact O-N 3.28Å; N178-K181 PolarHBondContact O-N 3.22Å; N178-Q182 WeakPolarHBondContact O-CG 3.38Å; N178-Q182 PolarHBondContact O-N 3.21Å |
| 179 | S | 91.7 | Very high | 90.1 | Very high | 69 Ų | 69 | 104.6 Ų | 104.6 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 175.7 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | K175 H176 K181 Q182 E183 | K175-S179 VanDerWaalsContact O-CB 3.27Å; K175-S179 WeakPolarHBondContact O-CB 3.41Å; K175-S179 PolarHBondContact O-N 3.22Å; H176-S179 PolarHBondContact O-N 3.27Å; S179-K181 PolarHBondContact O-N 2.9Å; S179-Q182 PolarHBondContact O-N 3.47Å; S179-E183 WeakPolarHBondContact O-CB 3.29Å; S179-E183 PolarHBondContact O-N 3.35Å |
| 180 | R | 91.4 | Very high | 89.3 | Confident | 115 Ų | 115 | 111 Ų | 111 | 43% | 0.434 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 174.8 | -69.7 | -63 | -167.5 | 176 | 4.9 | 112.6 | H176 V177 E183 R184 | H176-R180 PolarHBondContact NE2-NE 3.11Å; H176-R180 WeakPolarHBondContact O-CB 3.43Å; H176-R180 WeakPolarHBondContact O-CG 3.27Å; H176-R180 PolarHBondContact O-N 2.68Å; V177-R180 PolarHBondContact O-N 3.21Å; R180-E183 IonicContact CZ-OE2 3.98Å; R180-E183 IonicContact NH1-OE2 2.69Å; R180-E183 PolarHBondContact NH1-OE2 3.12Å; R180-E183 PolarHBondContact O-N 2.97Å; R180-R184 VanDerWaalsContact O-CG 3.29Å; R180-R184 WeakPolarHBondContact O-CG 3.23Å; R180-R184 PolarHBondContact O-N 2.8Å |
| 181 | K | 92.8 | Very high | 87.7 | Confident | 122 Ų | 122 | 115.5 Ų | 115.5 | 53% | 0.53 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 173.6 | -76.2 | 179.1 | -179.5 | -178.2 | 0 | 111.2 | V177 N178 S179 R184 L185 | V177-K181 HydrophobicContact CG1-CD 4.27Å; V177-K181 WeakPolarHBondContact O-CG 3.4Å; V177-K181 PolarHBondContact O-N 3.24Å; N178-K181 PolarHBondContact O-N 3.22Å; S179-K181 PolarHBondContact O-N 2.9Å; K181-R184 PolarHBondContact O-N 3.22Å; K181-L185 WeakPolarHBondContact O-CG 3.4Å; K181-L185 PolarHBondContact O-N 2.9Å |
| 182 | Q | 90.4 | Very high | 86.1 | Confident | 139 Ų | 139 | 112 Ų | 112 | 65% | 0.65 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.1 | -42.1 | 176.6 | -72.8 | -179.8 | 7.4 | 0 | 0 | 112.9 | N178 S179 R184 L185 S186 | N178-Q182 WeakPolarHBondContact O-CG 3.38Å; N178-Q182 PolarHBondContact O-N 3.21Å; S179-Q182 PolarHBondContact O-N 3.47Å; Q182-R184 VanDerWaalsContact C-N 3.34Å; Q182-R184 PolarHBondContact O-N 3.26Å; Q182-L185 PolarHBondContact O-N 3.35Å; Q182-S186 WeakPolarHBondContact O-CB 3.4Å; Q182-S186 PolarHBondContact O-N 2.84Å; Q182-S186 PolarHBondContact O-OG 2.72Å |
| 183 | E | 87.7 | Confident | 84.7 | Confident | 85 Ų | 85 | 111.9 Ų | 111.9 | 40% | 0.397 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -57.1 | -47.6 | 174.1 | -171.8 | -170 | 174.6 | 0 | 0 | 110.5 | S179 R180 L185 S186 N187 | S179-E183 WeakPolarHBondContact O-CB 3.29Å; S179-E183 PolarHBondContact O-N 3.35Å; R180-E183 IonicContact CZ-OE2 3.98Å; R180-E183 IonicContact NH1-OE2 2.69Å; R180-E183 PolarHBondContact NH1-OE2 3.12Å; R180-E183 PolarHBondContact O-N 2.97Å; E183-L185 PolarHBondContact O-N 3.05Å; E183-S186 PolarHBondContact O-N 2.99Å; E183-S186 PolarHBondContact O-OG 3.16Å; E183-N187 VanDerWaalsContact O-CB 3.31Å; E183-N187 WeakPolarHBondContact O-CB 3.18Å; E183-N187 PolarHBondContact O-N 3.1Å; E183-N187 PolarHBondContact O-ND2 3.33Å |
| 184 | R | 87.1 | Confident | 83 | Confident | 178 Ų | 178 | 111.1 Ų | 111.1 | 67% | 0.672 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61 | -44.7 | 176.1 | -71.8 | 176.2 | -168.2 | 168.4 | 3 | 112.5 | R180 K181 Q182 N187 A188 | R180-R184 VanDerWaalsContact O-CG 3.29Å; R180-R184 WeakPolarHBondContact O-CG 3.23Å; R180-R184 PolarHBondContact O-N 2.8Å; K181-R184 PolarHBondContact O-N 3.22Å; Q182-R184 VanDerWaalsContact C-N 3.34Å; Q182-R184 PolarHBondContact O-N 3.26Å; R184-N187 PolarHBondContact O-N 3.09Å; R184-A188 VanDerWaalsContact O-CB 3.29Å; R184-A188 WeakPolarHBondContact O-CB 3.45Å; R184-A188 PolarHBondContact O-N 3.47Å |
| 185 | L | 89 | Confident | 80.9 | Confident | 127 Ų | 127 | 109.1 Ų | 109.1 | 67% | 0.665 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -44.2 | 177.9 | -73.1 | 169.8 | 0 | 0 | 0 | 112.2 | K181 Q182 E183 A188 S189 | K181-L185 WeakPolarHBondContact O-CG 3.4Å; K181-L185 PolarHBondContact O-N 2.9Å; Q182-L185 PolarHBondContact O-N 3.35Å; E183-L185 PolarHBondContact O-N 3.05Å; L185-A188 PolarHBondContact O-N 3.37Å; L185-S189 PolarHBondContact O-N 2.92Å |
| 186 | S | 85.9 | Confident | 78.8 | Confident | 56 Ų | 56 | 106.8 Ų | 106.8 | 39% | 0.392 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.5 | -40.5 | 177.1 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | Q182 E183 S189 R190 | Q182-S186 WeakPolarHBondContact O-CB 3.4Å; Q182-S186 PolarHBondContact O-N 2.84Å; Q182-S186 PolarHBondContact O-OG 2.72Å; E183-S186 PolarHBondContact O-N 2.99Å; E183-S186 PolarHBondContact O-OG 3.16Å; S186-S189 PolarHBondContact O-N 3.29Å; S186-R190 WeakPolarHBondContact O-CG 3.37Å; S186-R190 PolarHBondContact O-N 3.15Å |
| 187 | N | 81 | Confident | 76.9 | Confident | 72 Ų | 72 | 107.6 Ų | 107.6 | 39% | 0.385 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.6 | -39 | 173.5 | -76.6 | -22.3 | 0 | 0 | 0 | 111.6 | E183 R184 R190 R191 | E183-N187 VanDerWaalsContact O-CB 3.31Å; E183-N187 WeakPolarHBondContact O-CB 3.18Å; E183-N187 PolarHBondContact O-N 3.1Å; E183-N187 PolarHBondContact O-ND2 3.33Å; R184-N187 PolarHBondContact O-N 3.09Å; N187-R190 PolarHBondContact O-N 3.11Å; N187-R191 VanDerWaalsContact O-CG 3.32Å; N187-R191 WeakPolarHBondContact O-CG 3.4Å; N187-R191 PolarHBondContact O-N 3.37Å; N187-R191 VanDerWaalsContact O-N 3.16Å |
| 188 | A | 82.1 | Confident | 74.7 | Confident | 56 Ų | 56 | 114.7 Ų | 114.7 | 46% | 0.463 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65 | -39.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R184 L185 R190 R191 | R184-A188 VanDerWaalsContact O-CB 3.29Å; R184-A188 WeakPolarHBondContact O-CB 3.45Å; R184-A188 PolarHBondContact O-N 3.47Å; L185-A188 PolarHBondContact O-N 3.37Å; A188-R190 VanDerWaalsContact C-N 3.33Å; A188-R190 PolarHBondContact O-N 3.09Å; A188-R191 WeakPolarHBondContact O-CB 3.49Å; A188-R191 PolarHBondContact O-N 3.38Å |
| 189 | S | 82 | Confident | 72.5 | Confident | 106 Ų | 106 | 121.7 Ų | 121.7 | 74% | 0.741 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70 | -27.3 | 175.6 | -175.2 | 0 | 0 | 0 | 0 | 113.5 | L185 S186 R191 | L185-S189 PolarHBondContact O-N 2.92Å; S186-S189 PolarHBondContact O-N 3.29Å; S189-R191 VanDerWaalsContact C-N 3.35Å |
| 190 | R | 73.8 | Confident | 70.4 | Confident | 184 Ų | 184 | 123.1 Ų | 123.1 | 69% | 0.694 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.3 | -16.9 | 173.3 | -73.1 | 179.6 | -177.9 | -131.6 | 2.4 | 112.8 | S186 N187 A188 S192 | S186-R190 WeakPolarHBondContact O-CG 3.37Å; S186-R190 PolarHBondContact O-N 3.15Å; N187-R190 PolarHBondContact O-N 3.11Å; A188-R190 VanDerWaalsContact C-N 3.33Å; A188-R190 PolarHBondContact O-N 3.09Å; R190-S192 PolarHBondContact O-N 3.31Å |
| 191 | R | 59.1 | Low | 68.3 | Low | 165 Ų | 165 | 122.1 Ų | 122.1 | 62% | 0.623 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -70.7 | 121.3 | 179.1 | -77.8 | 171.4 | -171.2 | -165.3 | 1.1 | 109.7 | N187 A188 S189 | N187-R191 VanDerWaalsContact O-CG 3.32Å; N187-R191 WeakPolarHBondContact O-CG 3.4Å; N187-R191 PolarHBondContact O-N 3.37Å; N187-R191 VanDerWaalsContact O-N 3.16Å; A188-R191 WeakPolarHBondContact O-CB 3.49Å; A188-R191 PolarHBondContact O-N 3.38Å; S189-R191 VanDerWaalsContact C-N 3.35Å |
| 192 | S | 59.9 | Low | 66 | Low | 67 Ų | 67 | 123.6 Ų | 123.6 | 47% | 0.469 | 63% | 0.632 | S | S | . | * | trans | -54.9 | 135.9 | 160.3 | 159.3 | 0 | 0 | 0 | 0 | 109.1 | R190 V194 | R190-S192 PolarHBondContact O-N 3.31Å; S192-V194 PolarHBondContact O-N 2.95Å | ||
| 193 | P | 61.2 | Low | 64.1 | Low | 137 Ų | 137 | 123.6 Ų | 123.6 | 89% | 0.89 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 2.9 | -177.1 | 25 | -33.1 | 0 | 0 | 0 | 114.8 | ||
| 194 | V | 57.4 | Low | 62.3 | Low | 119 Ų | 119 | 127.1 Ų | 127.1 | 72% | 0.721 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -6.1 | -169.5 | -175.2 | 0 | 0 | 0 | 0 | 113.6 | S192 S196 | S192-V194 PolarHBondContact O-N 2.95Å; V194-S196 PolarHBondContact O-N 2.92Å; V194-S196 VanDerWaalsContact O-N 3.07Å |
| 195 | L | 51.1 | Low | 60.5 | Low | 93 Ų | 93 | 125.1 Ų | 125.1 | 49% | 0.487 | 66% | 0.664 | S | S | . | * | trans | -82.8 | 91 | -179.3 | -66.1 | 179.8 | 0 | 0 | 0 | 112.2 | T197 D240 | L195-T197 PolarHBondContact O-N 3.33Å; L195-T197 VanDerWaalsContact O-N 3.08Å; L195-D240 WeakPolarHBondContact CD2-OD1 3.34Å | ||
| 196 | S | 50.3 | Low | 58.8 | Low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 67% | 0.673 | S | S | * | * | trans | -67.5 | 99.2 | 167.3 | -177.4 | 0 | 0 | 0 | 0 | 110 | V194 R198 | V194-S196 PolarHBondContact O-N 2.92Å; V194-S196 VanDerWaalsContact O-N 3.07Å; S196-R198 PolarHBondContact O-N 3.42Å | ||
| 197 | T | 51.7 | Low | 57 | Low | 94 Ų | 94 | 134.1 Ų | 134.1 | 58% | 0.577 | 70% | 0.697 | S | S | * | * | trans | -72.5 | 106.4 | 168.9 | 50.7 | 0 | 0 | 0 | 0 | 109 | L195 R199 | L195-T197 PolarHBondContact O-N 3.33Å; L195-T197 VanDerWaalsContact O-N 3.08Å; T197-R199 PolarHBondContact O-N 3.41Å | ||
| 198 | R | 48.2 | Very low | 55.5 | Low | 221 Ų | 221 | 136.3 Ų | 136.3 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | -69.4 | 119.5 | 167.1 | -107.5 | -179.3 | 176.5 | 161.9 | -0.8 | 109.2 | S196 | S196-R198 PolarHBondContact O-N 3.42Š| ||
| 199 | R | 49.6 | Very low | 53.6 | Low | 238 Ų | 238 | 141.5 Ų | 141.5 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | trans | -71.6 | 129.3 | 167.7 | -66.9 | 172.4 | 68.8 | -178.2 | 2.6 | 108 | T197 | T197-R199 PolarHBondContact O-N 3.41Š| ||
| 200 | V | 46.3 | Very low | 51.9 | Low | 100 Ų | 100 | 139.9 Ų | 139.9 | 61% | 0.606 | 73% | 0.732 | S | S | * | * | trans | -121.4 | 110.8 | 166.3 | -176 | 0 | 0 | 0 | 0 | 105.7 | F202 | V200-F202 HydrophobicContact CG1-CE1 4.5Å; V200-F202 HydrophobicContact CG1-CE2 4.14Å; V200-F202 HydrophobicContact CG1-CZ 4.07Å | ||
| 201 | S | 48.4 | Very low | 50.1 | Low | 94 Ų | 94 | 139.8 Ų | 139.8 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | trans | -88.8 | 135.1 | 168 | 46.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 202 | F | 43.8 | Very low | 49.2 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | trans | -100.7 | 106.3 | 165.4 | -63.5 | -86.2 | 0 | 0 | 0 | 106.2 | V200 L204 | V200-F202 HydrophobicContact CG1-CE1 4.5Å; V200-F202 HydrophobicContact CG1-CE2 4.14Å; V200-F202 HydrophobicContact CG1-CZ 4.07Å; F202-L204 VanDerWaalsContact C-N 3.33Å; F202-L204 PolarHBondContact O-N 3.37Å | ||
| 203 | D | 49.6 | Very low | 48.3 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -69.9 | 95.6 | 168.8 | -70.9 | -29.3 | 0 | 0 | 0 | 107.4 | V205 | D203-V205 PolarHBondContact O-N 3.35Š| ||
| 204 | L | 51.9 | Low | 47.2 | Very low | 159 Ų | 159 | 144 Ų | 144 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 9.9 | 177.9 | -160.7 | 65.5 | 0 | 0 | 0 | 112.3 | F202 | F202-L204 VanDerWaalsContact C-N 3.33Å; F202-L204 PolarHBondContact O-N 3.37Å |
| 205 | V | 48.8 | Very low | 46.1 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -0.6 | -164.8 | -178.8 | 0 | 0 | 0 | 0 | 113.9 | D203 | D203-V205 PolarHBondContact O-N 3.35Š|
| 206 | E | 52.8 | Low | 45.5 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -117.6 | 11.9 | -171.2 | -139 | 166.3 | -164.5 | 0 | 0 | 117 | ||
| 207 | Q | 48.3 | Very low | 45.2 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -128.4 | -4.4 | -179.9 | -84.5 | -175.9 | 0 | 0 | 0 | 117.3 | ||
| 208 | V | 50.2 | Low | 44.5 | Very low | 118 Ų | 118 | 153 Ų | 153 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -142.9 | 110.2 | -177.1 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 209 | L | 41.9 | Very low | 44 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | 90.1 | 95.4 | 170.6 | -54.6 | 158.7 | 0 | 0 | 0 | 115.7 | ||||
| 210 | G | 44.9 | Very low | 43.4 | Very low | 72 Ų | 72 | 143.5 Ų | 143.5 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 139.7 | 158 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 211 | E | 36.8 | Very low | 42.9 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 46.4 | 101 | 141.1 | -59.2 | 178.7 | 178.6 | 0 | 0 | 117.5 | ||||
| 212 | H | 40.7 | Very low | 42.4 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | -155.9 | 128.8 | 121.6 | -117.2 | -84.5 | 0 | 0 | 0 | 111.8 | |||||
| 213 | H | 41.6 | Very low | 42.4 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 151.6 | -176.5 | -90.7 | -89.2 | 0 | 0 | 0 | 114.6 | ||||
| 214 | T | 36.7 | Very low | 41.8 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 64% | 0.644 | 80% | 0.801 | S | S | * | * | trans | 62.1 | 137.8 | 131.3 | 62 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 215 | D | 34.8 | Very low | 41.4 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | cis | -162.6 | 146.5 | 11.8 | -77.9 | -39.5 | 0 | 0 | 0 | 105.8 | ||||
| 216 | C | 38.2 | Very low | 40.8 | Very low | 138 Ų | 138 | 148 Ų | 148 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | -155.7 | 124.4 | 151.7 | -90.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 217 | E | 44.4 | Very low | 40.6 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -75.3 | 148.9 | -167.2 | -58.2 | -174.1 | 142.5 | 0 | 0 | 114.7 | ||||
| 218 | N | 36.3 | Very low | 40.5 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 18.4 | 111.9 | 142.3 | -73.7 | -26.3 | 0 | 0 | 0 | 119.3 | ||||
| 219 | I | 37.5 | Very low | 40.3 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | trans | -120.4 | 117.7 | 135 | -65.1 | 177.8 | 0 | 0 | 0 | 108.1 | ||||
| 220 | S | 38.8 | Very low | 40.5 | Very low | 87 Ų | 87 | 148.5 Ų | 148.5 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | trans | -77 | 155 | -176.9 | -159.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 221 | N | 34.9 | Very low | 40.9 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | 92.5 | 96.2 | 156.4 | -48.7 | -25.2 | 0 | 0 | 0 | 117.8 | ||||
| 222 | S | 37.6 | Very low | 41.5 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | 173.7 | 127.1 | 106.9 | 44 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 223 | E | 44 | Very low | 42.4 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | 35.7 | 102.1 | 162.8 | -71.2 | -177.9 | 147.4 | 0 | 0 | 120.5 | ||||
| 224 | S | 37.6 | Very low | 43.2 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -29.4 | 119.2 | 154.8 | 53.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 225 | D | 42.3 | Very low | 44.4 | Very low | 163 Ų | 163 | 145 Ų | 145 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | -138 | 93.8 | 121.6 | -98.1 | -21.2 | 0 | 0 | 0 | 105.4 | D227 | D225-D227 PolarHBondContact O-N 3.29Š| |||
| 226 | L | 36.2 | Very low | 45.6 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -79.9 | 91.2 | 178.3 | -75.1 | 167.9 | 0 | 0 | 0 | 108.8 | ||||
| 227 | D | 48.2 | Very low | 46.6 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -113.9 | 101.1 | 161.2 | -78.4 | -25.6 | 0 | 0 | 0 | 108.6 | D225 | D225-D227 PolarHBondContact O-N 3.29Š| ||
| 228 | D | 46.4 | Very low | 47.3 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 32.5 | 106 | 159.1 | -68.6 | -25.5 | 0 | 0 | 0 | 118.8 | N230 | D228-N230 PolarHBondContact O-N 3.48Š| ||
| 229 | K | 47.2 | Very low | 48.7 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -30.2 | 113.6 | 164.6 | -68.9 | 177 | 175.5 | 178.2 | 0 | 113.3 | L231 | K229-L231 VanDerWaalsContact C-N 3.32Å; K229-L231 PolarHBondContact O-N 3.06Å |
| 230 | N | 46 | Very low | 50.1 | Low | 168 Ų | 168 | 140.6 Ų | 140.6 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 40.6 | 41.3 | 146.4 | -74.3 | -4.9 | 0 | 0 | 0 | 118.5 | D228 | D228-N230 PolarHBondContact O-N 3.48Š|
| 231 | L | 52.1 | Low | 51.6 | Low | 128 Ų | 128 | 141.2 Ų | 141.2 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | -109.6 | 103.1 | 164 | -72.5 | 167.7 | 0 | 0 | 0 | 109.3 | K229 T233 | K229-L231 VanDerWaalsContact C-N 3.32Å; K229-L231 PolarHBondContact O-N 3.06Å; L231-T233 VanDerWaalsContact C-N 3.34Å; L231-T233 PolarHBondContact O-N 3.43Å; L231-T233 PolarHBondContact O-OG1 3.08Å | ||
| 232 | S | 49.9 | Very low | 53.2 | Low | 123 Ų | 123 | 140 Ų | 140 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -55.8 | 95.4 | 169 | -54.8 | 0 | 0 | 0 | 0 | 109.5 | I234 | S232-I234 PolarHBondContact O-N 3.46Š| ||
| 233 | T | 59 | Low | 54.6 | Low | 103 Ų | 103 | 139.3 Ų | 139.3 | 63% | 0.632 | 75% | 0.751 | S | S | * | * | trans | -79.5 | 113.6 | -177.3 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | L231 | L231-T233 VanDerWaalsContact C-N 3.34Å; L231-T233 PolarHBondContact O-N 3.43Å; L231-T233 PolarHBondContact O-OG1 3.08Å | ||
| 234 | I | 60 | Low | 55.9 | Low | 129 Ų | 129 | 134.3 Ų | 134.3 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | trans | -88.8 | 119 | 173.3 | -60.2 | 172 | 0 | 0 | 0 | 108.4 | S232 F236 | S232-I234 PolarHBondContact O-N 3.46Å; I234-F236 HydrophobicContact CG2-CE1 4.36Å; I234-F236 HydrophobicContact CG2-CE2 4.1Å; I234-F236 HydrophobicContact CG2-CZ 3.99Å | ||
| 235 | H | 60.7 | Low | 57.8 | Low | 153 Ų | 153 | 137 Ų | 137 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -90.3 | 121.1 | 173.4 | -64.9 | -73.1 | 0 | 0 | 0 | 110.6 | ||||
| 236 | F | 60.7 | Low | 59.5 | Low | 133 Ų | 133 | 132.1 Ų | 132.1 | 58% | 0.583 | 72% | 0.717 | S | S | * | * | trans | -88.5 | 115.6 | 170.6 | -63.9 | -83.5 | 0 | 0 | 0 | 110.1 | I234 H238 | I234-F236 HydrophobicContact CG2-CE1 4.36Å; I234-F236 HydrophobicContact CG2-CE2 4.1Å; I234-F236 HydrophobicContact CG2-CZ 3.99Å; F236-H238 PolarHBondContact O-ND1 2.84Å | ||
| 237 | Q | 58 | Low | 61.5 | Low | 188 Ų | 188 | 129.8 Ų | 129.8 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 116.1 | 166.5 | -68.5 | -178 | -6.4 | 0 | 0 | 108.3 | ||
| 238 | H | 58.9 | Low | 62.8 | Low | 142 Ų | 142 | 131.6 Ų | 131.6 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 138 | 170.6 | -62.4 | 72.3 | 0 | 0 | 0 | 107.8 | F236 | F236-H238 PolarHBondContact O-ND1 2.84Š|
| 239 | S | 66.8 | Low | 64.1 | Low | 87 Ų | 87 | 133.1 Ų | 133.1 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 145.9 | 171.6 | 56.4 | 0 | 0 | 0 | 0 | 110.2 | T241 | S239-T241 WeakPolarHBondContact CB-OG1 3.46Å; S239-T241 PolarHBondContact O-N 3.35Å; S239-T241 VanDerWaalsContact O-N 3.08Å; S239-T241 PolarHBondContact OG-OG1 3.47Å |
| 240 | D | 67.6 | Low | 65.3 | Low | 139 Ų | 139 | 126.3 Ų | 126.3 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -66.7 | -4.8 | 174 | -67 | -33.3 | 0 | 0 | 0 | 113.3 | L195 P242 | L195-D240 WeakPolarHBondContact CD2-OD1 3.34Å; D240-P242 WeakPolarHBondContact O-CD 3.45Å |
| 241 | T | 68.5 | Low | 66.7 | Low | 99 Ų | 99 | 125.6 Ų | 125.6 | 61% | 0.607 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -76.3 | 115.5 | 177.6 | 56.2 | 0 | 0 | 0 | 0 | 108.9 | S239 S243 | S239-T241 WeakPolarHBondContact CB-OG1 3.46Å; S239-T241 PolarHBondContact O-N 3.35Å; S239-T241 VanDerWaalsContact O-N 3.08Å; S239-T241 PolarHBondContact OG-OG1 3.47Å; T241-S243 PolarHBondContact O-N 3.44Å |
| 242 | P | 69.5 | Low | 68 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 77% | 0.766 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 136 | 172.1 | 23.9 | -32.2 | 0 | 0 | 0 | 108.7 | D240 | D240-P242 WeakPolarHBondContact O-CD 3.45Š|
| 243 | S | 66.6 | Low | 69.4 | Low | 102 Ų | 102 | 122.7 Ų | 122.7 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 131.8 | 174.2 | 32.5 | 0 | 0 | 0 | 0 | 108.8 | T241 I245 | T241-S243 PolarHBondContact O-N 3.44Å; S243-I245 PolarHBondContact O-N 2.88Å |
| 244 | P | 71.8 | Confident | 70.4 | Confident | 84 Ų | 84 | 122.4 Ų | 122.4 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 132.5 | 178.9 | 20.3 | -30.1 | 0 | 0 | 0 | 109.5 | P246 T257 | P244-P246 WeakPolarHBondContact O-CD 3.31Å; P244-T257 HydrophobicContact CB-CG2 4.42Å; P244-T257 HydrophobicContact CG-CG2 3.79Å |
| 245 | I | 78.3 | Confident | 71.4 | Confident | 155 Ų | 155 | 119.5 Ų | 119.5 | 80% | 0.795 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.9 | 178.1 | -60.1 | 169.3 | 0 | 0 | 0 | 107.4 | S243 R247 | S243-I245 PolarHBondContact O-N 2.88Å; I245-R247 PolarHBondContact O-N 3.34Å |
| 246 | P | 76.2 | Confident | 72.3 | Confident | 61 Ų | 61 | 114.5 Ų | 114.5 | 40% | 0.396 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 131.2 | -179.7 | -23.9 | 33 | 0 | 0 | 0 | 110.9 | P244 A259 E260 | P244-P246 WeakPolarHBondContact O-CD 3.31Å; P246-A259 HydrophobicContact CG-CB 4.42Å; P246-E260 HydrophobicContact CB-CG 4.05Å |
| 247 | R | 78.5 | Confident | 73.4 | Confident | 115 Ų | 115 | 110.1 Ų | 110.1 | 43% | 0.434 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 139.7 | 174.7 | -62.9 | 167.7 | -67.8 | -151.9 | 2.9 | 109.3 | I245 K249 V250 T255 E260 | I245-R247 PolarHBondContact O-N 3.34Å; R247-K249 VanDerWaalsContact C-N 3.28Å; R247-K249 PolarHBondContact O-N 3.19Å; R247-V250 HydrophobicContact CB-CG2 4.34Å; R247-T255 PolarHBondContact NH2-O 2.9Å; R247-E260 VanDerWaalsContact CB-OE1 3.28Å; R247-E260 WeakPolarHBondContact CB-OE1 3.4Å; R247-E260 WeakPolarHBondContact CG-OE1 3.28Å; R247-E260 IonicContact CZ-OE1 3.46Å; R247-E260 IonicContact CZ-OE2 3.31Å; R247-E260 PolarHBondContact N-OE1 3.09Å; R247-E260 IonicContact NE-OE1 3.64Å; R247-E260 PolarHBondContact NE-OE1 2.86Å; R247-E260 IonicContact NE-OE2 2.95Å; R247-E260 IonicContact NH2-OE1 2.91Å; R247-E260 PolarHBondContact NH2-OE1 3.37Å; R247-E260 IonicContact NH2-OE2 2.83Å; R247-E260 PolarHBondContact NH2-OE2 2.96Å |
| 248 | E | 75.5 | Confident | 74.4 | Confident | 192 Ų | 192 | 108.2 Ų | 108.2 | 90% | 0.897 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -66.7 | -30.8 | 179.5 | -166 | 178.8 | -177.9 | 0 | 0 | 112.6 | ||
| 249 | K | 75.1 | Confident | 75.5 | Confident | 183 Ų | 183 | 103.6 Ų | 103.6 | 80% | 0.796 | 59% | 0.588 | S | S | * | * | trans | -135.1 | 126.2 | 174.5 | -66.1 | -179.7 | -177.3 | 175.1 | 0 | 109.5 | R247 | R247-K249 VanDerWaalsContact C-N 3.28Å; R247-K249 PolarHBondContact O-N 3.19Å | ||
| 250 | V | 72.4 | Confident | 76.3 | Confident | 50 Ų | 50 | 100 Ų | 100 | 30% | 0.303 | 56% | 0.562 | S | S | . | * | trans | -106.6 | 121.2 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | R247 D252 L256 E260 | R247-V250 HydrophobicContact CB-CG2 4.34Å; V250-D252 VanDerWaalsContact CG1-O 3.32Å; V250-D252 WeakPolarHBondContact CG1-O 3.31Å; V250-L256 HydrophobicContact CB-CD1 4.02Å; V250-L256 HydrophobicContact CG1-CD1 3.54Å; V250-L256 HydrophobicContact CG1-CG 4.32Å; V250-L256 HydrophobicContact CG2-CD1 4.34Å; V250-E260 HydrophobicContact CG2-CB 4.49Å; V250-E260 HydrophobicContact CG2-CG 4.3Å | ||
| 251 | V | 74.8 | Confident | 77 | Confident | 153 Ų | 153 | 95.4 Ų | 95.4 | 93% | 0.927 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -82.3 | -32.5 | -178.2 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 252 | D | 79.1 | Confident | 77.7 | Confident | 83 Ų | 83 | 94.6 Ų | 94.6 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | trans | -126.4 | 117.5 | -175.3 | -171.9 | -11.3 | 0 | 0 | 0 | 111.2 | V250 S254 T255 | V250-D252 VanDerWaalsContact CG1-O 3.32Å; V250-D252 WeakPolarHBondContact CG1-O 3.31Å; D252-S254 PolarHBondContact O-N 2.9Å; D252-S254 WeakPolarHBondContact OD1-CB 3.41Å; D252-S254 PolarHBondContact OD1-N 3.07Å; D252-S254 PolarHBondContact OD1-OG 3.34Å; D252-S254 PolarHBondContact OD2-OG 3.37Å; D252-T255 HydrophobicContact CB-CG2 4.38Å; D252-T255 PolarHBondContact O-N 2.98Å; D252-T255 VanDerWaalsContact O-N 3.17Å; D252-T255 PolarHBondContact O-OG1 2.91Å | ||
| 253 | V | 80.2 | Confident | 78.3 | Confident | 108 Ų | 108 | 93.1 Ų | 93.1 | 66% | 0.655 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -64.5 | -25 | -176.9 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | T255 L256 | V253-T255 PolarHBondContact O-N 2.94Å; V253-L256 HydrophobicContact CG1-CD1 4.29Å; V253-L256 PolarHBondContact O-N 2.79Å |
| 254 | S | 78.2 | Confident | 78.9 | Confident | 96 Ų | 96 | 93.9 Ų | 93.9 | 67% | 0.671 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -71.4 | -14.2 | 178.8 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | D252 | D252-S254 PolarHBondContact O-N 2.9Å; D252-S254 WeakPolarHBondContact OD1-CB 3.41Å; D252-S254 PolarHBondContact OD1-N 3.07Å; D252-S254 PolarHBondContact OD1-OG 3.34Å; D252-S254 PolarHBondContact OD2-OG 3.37Å |
| 255 | T | 82.3 | Confident | 79.3 | Confident | 69 Ų | 69 | 92.2 Ų | 92.2 | 42% | 0.423 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -107.1 | 11.6 | -178.1 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | R247 D252 V253 | R247-T255 PolarHBondContact NH2-O 2.9Å; D252-T255 HydrophobicContact CB-CG2 4.38Å; D252-T255 PolarHBondContact O-N 2.98Å; D252-T255 VanDerWaalsContact O-N 3.17Å; D252-T255 PolarHBondContact O-OG1 2.91Å; V253-T255 PolarHBondContact O-N 2.94Å |
| 256 | L | 79.8 | Confident | 79.3 | Confident | 48 Ų | 48 | 89.1 Ų | 89.1 | 25% | 0.251 | 49% | 0.492 | S | S | . | . | trans | -66.9 | 131.3 | -177.1 | -116.3 | 97.3 | 0 | 0 | 0 | 111.5 | V250 V253 E260 A261 F264 | V250-L256 HydrophobicContact CB-CD1 4.02Å; V250-L256 HydrophobicContact CG1-CD1 3.54Å; V250-L256 HydrophobicContact CG1-CG 4.32Å; V250-L256 HydrophobicContact CG2-CD1 4.34Å; V253-L256 HydrophobicContact CG1-CD1 4.29Å; V253-L256 PolarHBondContact O-N 2.79Å; L256-E260 VanDerWaalsContact CD2-C 3.46Å; L256-E260 HydrophobicContact CD2-CB 3.9Å; L256-E260 HydrophobicContact CG-CB 3.88Å; L256-A261 HydrophobicContact CD2-CB 3.7Å; L256-A261 VanDerWaalsContact CD2-N 3.29Å; L256-F264 HydrophobicContact CD2-CB 4.37Å | ||
| 257 | T | 82.4 | Confident | 79.4 | Confident | 40 Ų | 40 | 93.5 Ų | 93.5 | 25% | 0.245 | 51% | 0.505 | C | S | . | . | trans | -75.5 | 158 | 165.9 | 56 | 0 | 0 | 0 | 0 | 110.5 | P244 A259 E260 A261 | P244-T257 HydrophobicContact CB-CG2 4.42Å; P244-T257 HydrophobicContact CG-CG2 3.79Å; T257-A259 PolarHBondContact O-N 2.83Å; T257-E260 PolarHBondContact N-OE2 2.82Å; T257-E260 PolarHBondContact O-N 2.83Å; T257-E260 WeakPolarHBondContact OG1-CG 3.31Å; T257-E260 PolarHBondContact OG1-N 3.41Å; T257-E260 PolarHBondContact OG1-OE2 3.32Å; T257-A261 PolarHBondContact O-N 2.69Å | ||
| 258 | I | 80.7 | Confident | 79.1 | Confident | 149 Ų | 149 | 91.7 Ų | 91.7 | 76% | 0.764 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -54.3 | -41.6 | 179 | -61.7 | 171.1 | 0 | 0 | 0 | 111.1 | A261 V262 | I258-A261 WeakPolarHBondContact O-CB 3.49Å; I258-A261 PolarHBondContact O-N 3.32Å; I258-V262 WeakPolarHBondContact O-CG2 3.32Å; I258-V262 PolarHBondContact O-N 3.18Å; I258-V262 VanDerWaalsContact O-N 3.09Å |
| 259 | A | 80.4 | Confident | 78.5 | Confident | 45 Ų | 45 | 86.8 Ų | 86.8 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P246 T257 A261 N263 | P246-A259 HydrophobicContact CG-CB 4.42Å; T257-A259 PolarHBondContact O-N 2.83Å; A259-A261 VanDerWaalsContact C-N 3.26Å; A259-A261 PolarHBondContact O-N 3.5Å; A259-N263 PolarHBondContact O-N 2.85Å; A259-N263 VanDerWaalsContact O-N 3.08Å |
| 260 | E | 84.2 | Confident | 77.9 | Confident | 10 Ų | 10 | 84.6 Ų | 84.6 | 5% | 0.047 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.6 | -33 | 174.4 | -70.9 | 167.1 | 157.9 | 0 | 0 | 111.5 | P246 R247 V250 L256 T257 N263 F264 | P246-E260 HydrophobicContact CB-CG 4.05Å; R247-E260 VanDerWaalsContact CB-OE1 3.28Å; R247-E260 WeakPolarHBondContact CB-OE1 3.4Å; R247-E260 WeakPolarHBondContact CG-OE1 3.28Å; R247-E260 IonicContact CZ-OE1 3.46Å; R247-E260 IonicContact CZ-OE2 3.31Å; R247-E260 PolarHBondContact N-OE1 3.09Å; R247-E260 IonicContact NE-OE1 3.64Å; R247-E260 PolarHBondContact NE-OE1 2.86Å; R247-E260 IonicContact NE-OE2 2.95Å; R247-E260 IonicContact NH2-OE1 2.91Å; R247-E260 PolarHBondContact NH2-OE1 3.37Å; R247-E260 IonicContact NH2-OE2 2.83Å; R247-E260 PolarHBondContact NH2-OE2 2.96Å; V250-E260 HydrophobicContact CG2-CB 4.49Å; V250-E260 HydrophobicContact CG2-CG 4.3Å; L256-E260 VanDerWaalsContact CD2-C 3.46Å; L256-E260 HydrophobicContact CD2-CB 3.9Å; L256-E260 HydrophobicContact CG-CB 3.88Å; T257-E260 PolarHBondContact N-OE2 2.82Å; T257-E260 PolarHBondContact O-N 2.83Å; T257-E260 WeakPolarHBondContact OG1-CG 3.31Å; T257-E260 PolarHBondContact OG1-N 3.41Å; T257-E260 PolarHBondContact OG1-OE2 3.32Å; E260-N263 PolarHBondContact O-N 2.93Å; E260-F264 VanDerWaalsContact O-CB 3.23Å; E260-F264 WeakPolarHBondContact O-CB 3.44Å; E260-F264 PolarHBondContact O-N 3.39Å |
| 261 | A | 82.3 | Confident | 77.3 | Confident | 44 Ų | 44 | 86.9 Ų | 86.9 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.4 | -42.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | L256 T257 I258 A259 F264 A265 | L256-A261 HydrophobicContact CD2-CB 3.7Å; L256-A261 VanDerWaalsContact CD2-N 3.29Å; T257-A261 PolarHBondContact O-N 2.69Å; I258-A261 WeakPolarHBondContact O-CB 3.49Å; I258-A261 PolarHBondContact O-N 3.32Å; A259-A261 VanDerWaalsContact C-N 3.26Å; A259-A261 PolarHBondContact O-N 3.5Å; A261-F264 PolarHBondContact O-N 3.29Å; A261-A265 WeakPolarHBondContact O-CB 3.21Å; A261-A265 PolarHBondContact O-N 3.46Å |
| 262 | V | 82.8 | Confident | 76.2 | Confident | 81 Ų | 81 | 85.7 Ų | 85.7 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174 | 175 | 0 | 0 | 0 | 0 | 110.6 | I258 F264 A265 L266 | I258-V262 WeakPolarHBondContact O-CG2 3.32Å; I258-V262 PolarHBondContact O-N 3.18Å; I258-V262 VanDerWaalsContact O-N 3.09Å; V262-F264 VanDerWaalsContact C-N 3.35Å; V262-F264 PolarHBondContact O-N 2.5Å; V262-A265 PolarHBondContact O-N 2.95Å; V262-L266 HydrophobicContact CG1-CD1 3.96Å; V262-L266 HydrophobicContact CG1-CG 4.43Å; V262-L266 WeakPolarHBondContact O-CB 3.47Å; V262-L266 WeakPolarHBondContact O-CG 3.49Å; V262-L266 PolarHBondContact O-N 2.96Å |
| 263 | N | 82.2 | Confident | 74.7 | Confident | 88 Ų | 88 | 89.4 Ų | 89.4 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 176.8 | -76.9 | -16.4 | 0 | 0 | 0 | 112.5 | A259 E260 L266 K267 | A259-N263 PolarHBondContact O-N 2.85Å; A259-N263 VanDerWaalsContact O-N 3.08Å; E260-N263 PolarHBondContact O-N 2.93Å; N263-L266 PolarHBondContact O-N 3.26Å; N263-K267 WeakPolarHBondContact O-CB 3.41Å; N263-K267 PolarHBondContact O-N 3.47Å |
| 264 | F | 79.4 | Confident | 73 | Confident | 118 Ų | 118 | 93.4 Ų | 93.4 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 176.3 | -172.9 | -101.1 | 0 | 0 | 0 | 111.2 | L256 E260 A261 V262 K267 I268 | L256-F264 HydrophobicContact CD2-CB 4.37Å; E260-F264 VanDerWaalsContact O-CB 3.23Å; E260-F264 WeakPolarHBondContact O-CB 3.44Å; E260-F264 PolarHBondContact O-N 3.39Å; A261-F264 PolarHBondContact O-N 3.29Å; V262-F264 VanDerWaalsContact C-N 3.35Å; V262-F264 PolarHBondContact O-N 2.5Å; F264-K267 PolarHBondContact O-N 3.19Å; F264-I268 HydrophobicContact CD1-CD1 3.65Å; F264-I268 HydrophobicContact CE1-CD1 3.36Å; F264-I268 HydrophobicContact CE1-CG1 4.45Å; F264-I268 HydrophobicContact CG-CD1 4.48Å; F264-I268 HydrophobicContact CZ-CD1 3.96Å; F264-I268 WeakPolarHBondContact O-CG1 3.28Å; F264-I268 PolarHBondContact O-N 3.45Å; F264-I268 VanDerWaalsContact O-N 3.07Å |
| 265 | A | 80.1 | Confident | 71.3 | Confident | 48 Ų | 48 | 98.3 Ų | 98.3 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A261 V262 K267 I268 C269 | A261-A265 WeakPolarHBondContact O-CB 3.21Å; A261-A265 PolarHBondContact O-N 3.46Å; V262-A265 PolarHBondContact O-N 2.95Å; A265-K267 VanDerWaalsContact C-N 3.3Å; A265-K267 PolarHBondContact O-N 2.89Å; A265-I268 PolarHBondContact O-N 3.25Å; A265-C269 PolarHBondContact O-N 3.05Å; A265-C269 PolarHBondContact O-SG 3.14Å |
| 266 | L | 79.5 | Confident | 69.4 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 176.2 | -75.4 | 170.3 | 0 | 0 | 0 | 112 | V262 N263 C269 N270 | V262-L266 HydrophobicContact CG1-CD1 3.96Å; V262-L266 HydrophobicContact CG1-CG 4.43Å; V262-L266 WeakPolarHBondContact O-CB 3.47Å; V262-L266 WeakPolarHBondContact O-CG 3.49Å; V262-L266 PolarHBondContact O-N 2.96Å; N263-L266 PolarHBondContact O-N 3.26Å; L266-C269 PolarHBondContact O-N 3.38Å; L266-N270 WeakPolarHBondContact O-CB 3.45Å; L266-N270 PolarHBondContact O-N 3.46Å; L266-N270 PolarHBondContact O-ND2 3.21Å |
| 267 | K | 76.9 | Confident | 67.7 | Low | 153 Ų | 153 | 108.4 Ų | 108.4 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.7 | -40.6 | 177 | -159.8 | 173.2 | -173.1 | 176.3 | 0 | 111.6 | N263 F264 A265 N270 T271 | N263-K267 WeakPolarHBondContact O-CB 3.41Å; N263-K267 PolarHBondContact O-N 3.47Å; F264-K267 PolarHBondContact O-N 3.19Å; A265-K267 VanDerWaalsContact C-N 3.3Å; A265-K267 PolarHBondContact O-N 2.89Å; K267-N270 PolarHBondContact O-N 3.27Å; K267-T271 WeakPolarHBondContact O-CG2 3.48Å; K267-T271 PolarHBondContact O-N 2.69Å; K267-T271 PolarHBondContact O-OG1 3.12Å; K267-T271 VanDerWaalsContact O-OG1 3.12Å |
| 268 | I | 73 | Confident | 65.9 | Low | 78 Ų | 78 | 114.2 Ų | 114.2 | 40% | 0.4 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.4 | -44.1 | 174.6 | -67.9 | 168.2 | 0 | 0 | 0 | 110.8 | F264 A265 N270 T271 H272 | F264-I268 HydrophobicContact CD1-CD1 3.65Å; F264-I268 HydrophobicContact CE1-CD1 3.36Å; F264-I268 HydrophobicContact CE1-CG1 4.45Å; F264-I268 HydrophobicContact CG-CD1 4.48Å; F264-I268 HydrophobicContact CZ-CD1 3.96Å; F264-I268 WeakPolarHBondContact O-CG1 3.28Å; F264-I268 PolarHBondContact O-N 3.45Å; F264-I268 VanDerWaalsContact O-N 3.07Å; A265-I268 PolarHBondContact O-N 3.25Å; I268-N270 VanDerWaalsContact C-N 3.3Å; I268-N270 PolarHBondContact O-N 3.12Å; I268-T271 PolarHBondContact O-N 3.33Å; I268-T271 PolarHBondContact O-OG1 3.08Å; I268-T271 VanDerWaalsContact O-OG1 3.08Å; I268-H272 PolarHBondContact O-CD2 3.23Å; I268-H272 PolarHBondContact O-N 3.32Å |
| 269 | C | 62.5 | Low | 64.1 | Low | 88 Ų | 88 | 112.6 Ų | 112.6 | 60% | 0.595 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -33.3 | 178.4 | -68 | 0 | 0 | 0 | 0 | 112.6 | A265 L266 | A265-C269 PolarHBondContact O-N 3.05Å; A265-C269 PolarHBondContact O-SG 3.14Å; L266-C269 PolarHBondContact O-N 3.38Å |
| 270 | N | 63.9 | Low | 62.5 | Low | 137 Ų | 137 | 117 Ų | 117 | 73% | 0.733 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.3 | -20 | 178.9 | -68.7 | -14.8 | 0 | 0 | 0 | 113.4 | L266 K267 I268 | L266-N270 WeakPolarHBondContact O-CB 3.45Å; L266-N270 PolarHBondContact O-N 3.46Å; L266-N270 PolarHBondContact O-ND2 3.21Å; K267-N270 PolarHBondContact O-N 3.27Å; I268-N270 VanDerWaalsContact C-N 3.3Å; I268-N270 PolarHBondContact O-N 3.12Å |
| 271 | T | 59.7 | Low | 60.9 | Low | 98 Ų | 98 | 124.6 Ų | 124.6 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -92.9 | -9.6 | 177.8 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | K267 I268 | K267-T271 WeakPolarHBondContact O-CG2 3.48Å; K267-T271 PolarHBondContact O-N 2.69Å; K267-T271 PolarHBondContact O-OG1 3.12Å; K267-T271 VanDerWaalsContact O-OG1 3.12Å; I268-T271 PolarHBondContact O-N 3.33Å; I268-T271 PolarHBondContact O-OG1 3.08Å; I268-T271 VanDerWaalsContact O-OG1 3.08Å |
| 272 | H | 51.6 | Low | 59.3 | Low | 129 Ų | 129 | 128.1 Ų | 128.1 | 60% | 0.597 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -111.4 | 102.2 | 178.7 | -74 | -60 | 0 | 0 | 0 | 110.8 | I268 K274 | I268-H272 PolarHBondContact O-CD2 3.23Å; I268-H272 PolarHBondContact O-N 3.32Å; H272-K274 PolarHBondContact O-N 2.89Å |
| 273 | D | 46 | Very low | 57.2 | Low | 160 Ų | 160 | 131.8 Ų | 131.8 | 86% | 0.856 | 68% | 0.684 | S | S | * | * | trans | -44.2 | 134.1 | 158.9 | -93 | -41.8 | 0 | 0 | 0 | 110.4 | K275 | D273-K275 PolarHBondContact O-N 3.35Š| ||
| 274 | K | 44.5 | Very low | 55 | Low | 192 Ų | 192 | 130.5 Ų | 130.5 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -32.6 | 125.2 | 177.7 | -61.5 | 168.4 | -179.3 | 175.7 | 0 | 111.2 | H272 | H272-K274 PolarHBondContact O-N 2.89Š|
| 275 | K | 43.7 | Very low | 53.1 | Low | 200 Ų | 200 | 132 Ų | 132 | 87% | 0.87 | 71% | 0.705 | S | S | * | * | trans | 104.1 | 78.3 | 169.9 | -55.6 | 163.9 | -176.9 | -177.6 | 0 | 115.4 | D273 | D273-K275 PolarHBondContact O-N 3.35Š| ||
| 276 | K | 42.1 | Very low | 51.4 | Low | 184 Ų | 184 | 137 Ų | 137 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | trans | -154.3 | 100.2 | 144.3 | -110.7 | 173.3 | -174.4 | -178.6 | 0 | 109.4 | F278 | K276-F278 PolarHBondContact O-N 3.39Š| ||
| 277 | V | 43.8 | Very low | 49.8 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 87% | 0.873 | 74% | 0.739 | S | S | * | * | trans | -71.2 | 113.8 | 166.7 | 176.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 278 | F | 44 | Very low | 48.4 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | trans | -77.3 | 129.9 | 167.2 | -77.4 | -85.1 | 0 | 0 | 0 | 108 | K276 V280 | K276-F278 PolarHBondContact O-N 3.39Å; F278-V280 PolarHBondContact O-N 2.8Å | ||
| 279 | P | 43.7 | Very low | 46.9 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | -67.1 | 119.7 | 174.8 | 24.9 | -25.3 | 0 | 0 | 0 | 108.2 | E281 | P279-E281 PolarHBondContact O-N 3.38Š| ||
| 280 | V | 46.1 | Very low | 46 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -78.3 | 102.2 | 168.1 | 178.6 | 0 | 0 | 0 | 0 | 105.8 | F278 | F278-V280 PolarHBondContact O-N 2.8Š| ||
| 281 | E | 51.2 | Low | 45 | Very low | 168 Ų | 168 | 153 Ų | 153 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -62 | 136.1 | 163.3 | -69.2 | -166.8 | 167.2 | 0 | 0 | 108.2 | P279 L283 | P279-E281 PolarHBondContact O-N 3.38Å; E281-L283 PolarHBondContact O-N 2.73Å | ||
| 282 | P | 48.7 | Very low | 44.3 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -57.7 | 136.5 | 174.4 | 26.3 | -32.1 | 0 | 0 | 0 | 107.7 | G284 | P282-G284 VanDerWaalsContact C-N 3.25Å; P282-G284 PolarHBondContact O-N 2.83Å | ||
| 283 | L | 39.8 | Very low | 43.5 | Very low | 158 Ų | 158 | 156.8 Ų | 156.8 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | -57.6 | 85.7 | -175.9 | -154.6 | 82.4 | 0 | 0 | 0 | 110.4 | E281 I286 | E281-L283 PolarHBondContact O-N 2.73Å; L283-I286 HydrophobicContact CD2-CD1 4.3Å | ||
| 284 | G | 35.3 | Very low | 43.2 | Very low | 60 Ų | 60 | 157.1 Ų | 157.1 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | trans | -82.4 | 136.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P282 | P282-G284 VanDerWaalsContact C-N 3.25Å; P282-G284 PolarHBondContact O-N 2.83Å | ||
| 285 | D | 39.3 | Very low | 42.9 | Very low | 150 Ų | 150 | 152.3 Ų | 152.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | 72.7 | 66.9 | 168.1 | -53.3 | -17.9 | 0 | 0 | 0 | 117.2 | M287 | D285-M287 VanDerWaalsContact C-N 3.27Å; D285-M287 PolarHBondContact O-N 3.46Å; D285-M287 VanDerWaalsContact O-N 3.11Å | ||
| 286 | I | 43.5 | Very low | 42.3 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -75.4 | 87.3 | 149.7 | -57 | 175.4 | 0 | 0 | 0 | 107.4 | L283 | L283-I286 HydrophobicContact CD2-CD1 4.3Š| ||
| 287 | M | 47.4 | Very low | 42.1 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | trans | -82 | 120.2 | 166.7 | -75.6 | -175.8 | 68.2 | 0 | 0 | 109.9 | D285 R289 | D285-M287 VanDerWaalsContact C-N 3.27Å; D285-M287 PolarHBondContact O-N 3.46Å; D285-M287 VanDerWaalsContact O-N 3.11Å; M287-R289 PolarHBondContact O-N 2.89Å | ||
| 288 | E | 47.4 | Very low | 41.8 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -63 | 114.6 | 171.4 | -165.7 | 175.3 | -163.3 | 0 | 0 | 109.5 | Q290 | E288-Q290 PolarHBondContact O-N 3.17Å; E288-Q290 VanDerWaalsContact O-N 3.09Å | ||
| 289 | R | 41.9 | Very low | 41.2 | Very low | 243 Ų | 243 | 147.6 Ų | 147.6 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -69.1 | 106 | 175.8 | -80.3 | -175.2 | 174.4 | 171.7 | -0.7 | 109.4 | M287 | M287-R289 PolarHBondContact O-N 2.89Š| ||
| 290 | Q | 43.3 | Very low | 40.8 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -64.4 | 140.3 | 168.8 | -66.6 | -140.6 | -31.2 | 0 | 0 | 111.2 | E288 N292 | E288-Q290 PolarHBondContact O-N 3.17Å; E288-Q290 VanDerWaalsContact O-N 3.09Å; Q290-N292 PolarHBondContact O-N 3.29Å | ||
| 291 | P | 41.9 | Very low | 40.1 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -76.3 | 115.9 | 178.5 | 30.8 | -29.7 | 0 | 0 | 0 | 109.7 | ||
| 292 | N | 46.1 | Very low | 39.3 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | 66.1 | 92.6 | 154.6 | -64 | -17.2 | 0 | 0 | 0 | 118.7 | Q290 L294 | Q290-N292 PolarHBondContact O-N 3.29Å; N292-L294 PolarHBondContact O-N 3.26Å | ||
| 293 | V | 33.5 | Very low | 38.6 | Very low | 151 Ų | 151 | 147 Ų | 147 | 92% | 0.915 | 80% | 0.801 | S | S | * | * | trans | -76.4 | 102.8 | 144.1 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 294 | L | 40.2 | Very low | 38.3 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -142.8 | 128.5 | 156 | -158.5 | 76.6 | 0 | 0 | 0 | 108.9 | N292 | N292-L294 PolarHBondContact O-N 3.26Š| ||
| 295 | A | 37.7 | Very low | 38 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | 86.5 | 68.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 296 | K | 31.7 | Very low | 37.7 | Very low | 217 Ų | 217 | 146.4 Ų | 146.4 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | trans | -72 | 108.9 | 130.4 | -86.1 | 176.9 | 175.7 | 175.1 | 0 | 107.5 | ||||
| 297 | A | 36.8 | Very low | 37.1 | Very low | 86 Ų | 86 | 145 Ų | 145 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -169.3 | 129.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 298 | V | 39.1 | Very low | 36.4 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | 86.7 | 90.2 | 160.7 | -159.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 299 | N | 31.4 | Very low | 35.6 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -62.6 | 139.8 | 146.4 | -67.5 | -36.2 | 0 | 0 | 0 | 110.2 | ||||
| 300 | L | 34.7 | Very low | 35.3 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -173.4 | 100.1 | 137.4 | -99.9 | 145.4 | 0 | 0 | 0 | 110.7 | ||||
| 301 | T | 32.3 | Very low | 34.7 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 33.8 | 131.7 | 135 | 61.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 302 | S | 32.8 | Very low | 34.1 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | 119.9 | 105.4 | 124 | -151.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 303 | E | 34 | Very low | 33.5 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | 39.8 | 116.6 | 131.3 | -52.3 | -175 | 162 | 0 | 0 | 119.6 | ||||
| 304 | M | 33.3 | Very low | 33.4 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | 162.7 | 122.1 | 103.5 | -84.9 | -56.6 | 172.4 | 0 | 0 | 110.8 | |||||
| 305 | S | 29.7 | Very low | 32.9 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 34 | 147.9 | 139 | 58.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 306 | S | 32.7 | Very low | 32.8 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | 102.4 | 92.8 | 152.1 | 71.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 307 | T | 30.5 | Very low | 33.1 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | 27.5 | 113.6 | 129.6 | 57.6 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 308 | N | 33.5 | Very low | 33.5 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | -163.4 | 127.8 | 131.7 | -99.4 | -33 | 0 | 0 | 0 | 112.3 | Q310 | N308-Q310 PolarHBondContact O-N 2.97Š| ||
| 309 | H | 31.1 | Very low | 33.8 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 91% | 0.907 | 72% | 0.715 | S | S | * | * | trans | -56.7 | 113.9 | 168.5 | -77.2 | -75.7 | 0 | 0 | 0 | 110.8 | ||||
| 310 | Q | 34.6 | Very low | 34.2 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | trans | -139.1 | 122.1 | 160.3 | -73.1 | -169.6 | -15.2 | 0 | 0 | 109.8 | N308 E312 | N308-Q310 PolarHBondContact O-N 2.97Å; Q310-E312 PolarHBondContact O-N 3.03Å; Q310-E312 VanDerWaalsContact O-N 3.14Å | ||
| 311 | S | 31.1 | Very low | 34.7 | Very low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 67% | 0.673 | S | S | * | * | trans | -51.4 | 107.6 | 172.2 | 49.2 | 0 | 0 | 0 | 0 | 111.5 | I313 | S311-I313 PolarHBondContact O-N 2.74Š| ||
| 312 | E | 30 | Very low | 35 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | trans | -74.3 | 103.4 | 167.9 | -83.2 | -170.8 | 142.5 | 0 | 0 | 109.9 | Q310 L314 | Q310-E312 PolarHBondContact O-N 3.03Å; Q310-E312 VanDerWaalsContact O-N 3.14Å; E312-L314 VanDerWaalsContact C-N 3.29Å; E312-L314 PolarHBondContact O-N 3.41Å; E312-L314 VanDerWaalsContact O-N 3.12Å | ||
| 313 | I | 33.9 | Very low | 35 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 82% | 0.821 | 67% | 0.669 | S | S | * | * | trans | -77.1 | 89.8 | 159.3 | -58.3 | 173.3 | 0 | 0 | 0 | 105.9 | S311 | S311-I313 PolarHBondContact O-N 2.74Š| ||
| 314 | L | 29.6 | Very low | 35 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 61% | 0.607 | 68% | 0.675 | S | S | * | * | trans | -62 | 140.7 | 169.4 | -78 | 165.9 | 0 | 0 | 0 | 109.5 | E312 T316 | E312-L314 VanDerWaalsContact C-N 3.29Å; E312-L314 PolarHBondContact O-N 3.41Å; E312-L314 VanDerWaalsContact O-N 3.12Å; L314-T316 PolarHBondContact O-N 3.07Å | ||
| 315 | P | 29.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 79% | 0.792 | 68% | 0.683 | S | S | * | * | trans | -67.6 | 98.5 | 174.1 | 28.4 | -30.3 | 0 | 0 | 0 | 108.2 | K317 | P315-K317 PolarHBondContact O-N 2.93Š| ||
| 316 | T | 35.6 | Very low | 35 | Very low | 72 Ų | 72 | 131.5 Ų | 131.5 | 44% | 0.442 | 69% | 0.686 | S | S | . | * | trans | -65.6 | 114.2 | 170.6 | 44.8 | 0 | 0 | 0 | 0 | 107.8 | Y32 L314 | Y32-T316 HydrophobicContact CE1-CG2 4.41Å; L314-T316 PolarHBondContact O-N 3.07Å | ||
| 317 | K | 39.1 | Very low | 35.1 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 78% | 0.783 | 70% | 0.695 | S | S | * | * | trans | -51.8 | 131.6 | 165.1 | -70.3 | 177.3 | 180 | 176.1 | 0 | 107.3 | P315 F319 | P315-K317 PolarHBondContact O-N 2.93Å; K317-F319 PolarHBondContact O-N 3.43Å | ||
| 318 | P | 44.7 | Very low | 35.2 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 51% | 0.513 | 69% | 0.688 | S | S | . | * | trans | -56.6 | 138.4 | 173.7 | 25.3 | -31.9 | 0 | 0 | 0 | 107.7 | Y77 G320 | Y77-P318 HydrophobicContact CD1-CB 4.03Å; Y77-P318 HydrophobicContact CD1-CG 4.5Å; Y77-P318 HydrophobicContact CE1-CB 3.77Å; Y77-P318 HydrophobicContact CE1-CG 3.95Å; P318-G320 VanDerWaalsContact C-N 3.3Å; P318-G320 PolarHBondContact O-N 3.32Å | ||
| 319 | F | 45.4 | Very low | 35.3 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 29% | 0.285 | 68% | 0.683 | S | S | . | * | trans | -57.7 | 99.6 | 172.1 | -168.1 | -91.5 | 0 | 0 | 0 | 107.4 | L29 Y32 K107 K317 | L29-F319 HydrophobicContact CD2-CD2 4.42Å; L29-F319 HydrophobicContact CD2-CE2 3.76Å; L29-F319 HydrophobicContact CD2-CZ 4.34Å; Y32-F319 HydrophobicContact CD2-CD2 4.34Å; Y32-F319 HydrophobicContact CE2-CD2 4.22Å; K107-F319 HydrophobicContact CD-CZ 4.43Å; K317-F319 PolarHBondContact O-N 3.43Å | ||
| 320 | G | 40.2 | Very low | 35.6 | Very low | 38 Ų | 38 | 130.7 Ų | 130.7 | 39% | 0.392 | 68% | 0.681 | S | S | . | * | trans | -71.3 | 126 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108 | P318 I322 | P318-G320 VanDerWaalsContact C-N 3.3Å; P318-G320 PolarHBondContact O-N 3.32Å; G320-I322 PolarHBondContact O-N 3.46Å | ||
| 321 | D | 44.4 | Very low | 35.8 | Very low | 64 Ų | 64 | 129.7 Ų | 129.7 | 34% | 0.342 | 68% | 0.68 | S | S | . | * | trans | -52.8 | 115.9 | 175.8 | -80.1 | -35.1 | 0 | 0 | 0 | 109.6 | R103 N323 | R103-D321 IonicContact NH1-OD1 2.7Å; D321-N323 PolarHBondContact O-N 2.77Å | ||
| 322 | I | 39.3 | Very low | 36 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | trans | -71.2 | 122 | 171.4 | -54.9 | 169.9 | 0 | 0 | 0 | 105.9 | G320 E324 | G320-I322 PolarHBondContact O-N 3.46Å; I322-E324 PolarHBondContact O-N 2.88Å | ||
| 323 | N | 33.7 | Very low | 36.4 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -58.1 | 97.3 | 171.9 | -74.3 | -46.7 | 0 | 0 | 0 | 109.6 | D321 R325 | D321-N323 PolarHBondContact O-N 2.77Å; N323-R325 PolarHBondContact O-N 2.94Å | ||
| 324 | E | 33.9 | Very low | 36.3 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 86% | 0.855 | 69% | 0.689 | S | S | * | * | trans | -74.7 | 107.2 | 170.4 | -95.6 | 179.5 | 167.2 | 0 | 0 | 109.6 | I322 Q326 | I322-E324 PolarHBondContact O-N 2.88Å; E324-Q326 PolarHBondContact O-N 3.42Å | ||
| 325 | R | 31 | Very low | 36.8 | Very low | 240 Ų | 240 | 133.5 Ų | 133.5 | 91% | 0.906 | 70% | 0.697 | S | S | * | * | trans | -54.7 | 117.9 | 152.9 | -114 | 175.4 | 178.2 | 167.8 | -0.9 | 107.4 | N323 Q327 | N323-R325 PolarHBondContact O-N 2.94Å; R325-Q327 PolarHBondContact O-N 3.42Å | ||
| 326 | Q | 30.6 | Very low | 37.2 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | -46.5 | 118.5 | 175.6 | -63.6 | 177.5 | -0.3 | 0 | 0 | 111.4 | E324 | E324-Q326 PolarHBondContact O-N 3.42Š| ||
| 327 | Q | 35.4 | Very low | 37.4 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 90% | 0.902 | 71% | 0.707 | S | S | * | * | trans | -112.2 | 103.6 | 150.7 | -75.3 | -172.9 | -12.1 | 0 | 0 | 107.2 | R325 | R325-Q327 PolarHBondContact O-N 3.42Š| ||
| 328 | N | 32.8 | Very low | 37.4 | Very low | 115 Ų | 115 | 131 Ų | 131 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | trans | -67.2 | 130 | 171.6 | -70.1 | -57.5 | 0 | 0 | 0 | 109.3 | ||||
| 329 | A | 35.6 | Very low | 37 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | 148.7 | 103.9 | 128.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 330 | L | 37.3 | Very low | 36.7 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -166.8 | 108.9 | 136.6 | -109.6 | 133.9 | 0 | 0 | 0 | 110.3 | ||||
| 331 | D | 39.3 | Very low | 36.6 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | 48 | 104.1 | 148.7 | -66.5 | -31.3 | 0 | 0 | 0 | 123.2 | ||||
| 332 | K | 34.8 | Very low | 36 | Very low | 201 Ų | 201 | 147 Ų | 147 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | 34.6 | 103.8 | 126.9 | -63.9 | -179.7 | -179.5 | 178.8 | 0 | 118.7 | |||||
| 333 | S | 38.1 | Very low | 35.9 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | -147 | 129.2 | 126.9 | 50.7 | 0 | 0 | 0 | 0 | 109.1 | I335 | S333-I335 PolarHBondContact O-N 3.12Å; S333-I335 VanDerWaalsContact O-N 3.14Å | |||
| 334 | D | 32.6 | Very low | 36.1 | Very low | 175 Ų | 175 | 154.4 Ų | 154.4 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -66.9 | 104.4 | -177.8 | -74.1 | -43.6 | 0 | 0 | 0 | 110.9 | ||||
| 335 | I | 39.5 | Very low | 36.5 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -133.2 | 105.6 | 158.5 | -56.3 | 177.9 | 0 | 0 | 0 | 107.1 | S333 | S333-I335 PolarHBondContact O-N 3.12Å; S333-I335 VanDerWaalsContact O-N 3.14Å | ||
| 336 | S | 37.2 | Very low | 37.1 | Very low | 106 Ų | 106 | 151.5 Ų | 151.5 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 133.7 | 173.9 | -163.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 337 | P | 41.4 | Very low | 37.5 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 143 | 176.9 | 28.7 | -32.1 | 0 | 0 | 0 | 109.5 | I339 | P337-I339 PolarHBondContact O-N 3.46Š|
| 338 | P | 39.1 | Very low | 38.1 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 132.6 | 176.1 | 27.9 | -31.7 | 0 | 0 | 0 | 109.7 | I340 | P338-I340 PolarHBondContact O-N 2.83Š|
| 339 | I | 36.1 | Very low | 38.6 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -60.4 | 104 | 166.8 | -63.9 | 165.3 | 0 | 0 | 0 | 106.9 | P337 T341 | P337-I339 PolarHBondContact O-N 3.46Å; I339-T341 PolarHBondContact O-N 2.91Å | ||
| 340 | I | 38.5 | Very low | 38.9 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | trans | -79.2 | 108.3 | 169.9 | -61.7 | 174.6 | 0 | 0 | 0 | 106.4 | P338 | P338-I340 PolarHBondContact O-N 2.83Š| ||
| 341 | T | 38 | Very low | 39.1 | Very low | 103 Ų | 103 | 150 Ų | 150 | 63% | 0.632 | 76% | 0.758 | S | S | * | * | trans | -59.5 | 133.8 | 169.4 | 45.3 | 0 | 0 | 0 | 0 | 109.6 | I339 E343 | I339-T341 PolarHBondContact O-N 2.91Å; T341-E343 VanDerWaalsContact C-N 3.27Å; T341-E343 PolarHBondContact O-N 2.88Å | ||
| 342 | N | 32.6 | Very low | 39 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -64.2 | 80.6 | 177.3 | -75 | -33.1 | 0 | 0 | 0 | 111.2 | ||||
| 343 | E | 37.4 | Very low | 39.2 | Very low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | -94.9 | 126.1 | 159.9 | -69.9 | -162.1 | 159.8 | 0 | 0 | 109.1 | T341 K345 | T341-E343 VanDerWaalsContact C-N 3.27Å; T341-E343 PolarHBondContact O-N 2.88Å; E343-K345 PolarHBondContact O-N 2.8Å | ||
| 344 | R | 36.6 | Very low | 39.3 | Very low | 253 Ų | 253 | 151.1 Ų | 151.1 | 96% | 0.955 | 77% | 0.765 | S | S | * | * | trans | -53.9 | 92.5 | -178.4 | -77.9 | 173.3 | 164.7 | 168.4 | -4.7 | 111 | R346 | R344-R346 PolarHBondContact O-N 2.88Š| ||
| 345 | K | 42.2 | Very low | 39.8 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 60% | 0.6 | 76% | 0.758 | S | S | * | * | trans | -74.3 | 119.5 | 165.9 | -65.3 | -166.3 | 177.3 | -167.3 | 0 | 108.7 | E343 C347 | E343-K345 PolarHBondContact O-N 2.8Å; K345-C347 PolarHBondContact O-N 3.32Å; K345-C347 VanDerWaalsContact O-N 3.07Å | ||
| 346 | R | 43.1 | Very low | 39.9 | Very low | 224 Ų | 224 | 154.3 Ų | 154.3 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -69.4 | 97.5 | 174.1 | -82 | -179.6 | 164 | -176.2 | -3.1 | 108.9 | R344 S348 | R344-R346 PolarHBondContact O-N 2.88Å; R346-S348 PolarHBondContact O-N 2.99Å | ||
| 347 | C | 40.7 | Very low | 40.2 | Very low | 92 Ų | 92 | 156.6 Ų | 156.6 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | trans | -79.8 | 108.5 | 163.3 | -68.3 | 0 | 0 | 0 | 0 | 108.3 | K345 | K345-C347 PolarHBondContact O-N 3.32Å; K345-C347 VanDerWaalsContact O-N 3.07Å | ||
| 348 | S | 48 | Very low | 40.6 | Very low | 65 Ų | 65 | 156.9 Ų | 156.9 | 46% | 0.455 | 77% | 0.772 | S | S | . | * | trans | -86.9 | 121.2 | 170.7 | 60.6 | 0 | 0 | 0 | 0 | 109.4 | R346 F350 | R346-S348 PolarHBondContact O-N 2.99Å; S348-F350 PolarHBondContact O-N 3.17Å | ||
| 349 | L | 42.6 | Very low | 41.1 | Very low | 136 Ų | 136 | 161.2 Ų | 161.2 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -77.7 | 111.1 | 165.2 | -76.8 | 165 | 0 | 0 | 0 | 107.3 | Y84 R351 | Y84-L349 HydrophobicContact CE1-CD2 4.27Å; L349-R351 PolarHBondContact O-N 3.11Å | ||
| 350 | F | 42.7 | Very low | 42.3 | Very low | 184 Ų | 184 | 159.3 Ų | 159.3 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -71.5 | 92.5 | 174.4 | -135.6 | -90.2 | 0 | 0 | 0 | 109.1 | S348 S352 | S348-F350 PolarHBondContact O-N 3.17Å; F350-S352 PolarHBondContact O-N 3.01Å | ||
| 351 | R | 40.6 | Very low | 43 | Very low | 222 Ų | 222 | 161.6 Ų | 161.6 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -77.7 | 110.7 | 164.9 | -84.6 | -172.5 | 168.8 | -174.7 | -2.3 | 108.3 | L349 S353 | L349-R351 PolarHBondContact O-N 3.11Å; R351-S353 PolarHBondContact O-N 3.28Å; R351-S353 PolarHBondContact O-OG 2.99Å | ||
| 352 | S | 36.7 | Very low | 43.3 | Very low | 116 Ų | 116 | 164.6 Ų | 164.6 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -56.1 | 108.3 | 169.9 | 55.8 | 0 | 0 | 0 | 0 | 109.7 | F350 | F350-S352 PolarHBondContact O-N 3.01Š| ||
| 353 | S | 39.6 | Very low | 43.8 | Very low | 112 Ų | 112 | 164.1 Ų | 164.1 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -96 | 118.3 | 177.8 | -55.7 | 0 | 0 | 0 | 0 | 108.3 | R351 | R351-S353 PolarHBondContact O-N 3.28Å; R351-S353 PolarHBondContact O-OG 2.99Å |
| 354 | R | 40.3 | Very low | 44.2 | Very low | 241 Ų | 241 | 164.2 Ų | 164.2 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 135.1 | 175.1 | -72.8 | 173.6 | -178 | 161.2 | 0 | 112.2 | R356 | R354-R356 PolarHBondContact O-N 3.33Š|
| 355 | I | 42.4 | Very low | 44.7 | Very low | 154 Ų | 154 | 159 Ų | 159 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 123.3 | 161.9 | -64.5 | 165.8 | 0 | 0 | 0 | 107.7 | ||
| 356 | R | 42.8 | Very low | 44.8 | Very low | 240 Ų | 240 | 160.3 Ų | 160.3 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 118.5 | 163.9 | -67.4 | -171.7 | -154.2 | -166.8 | 6.2 | 107.2 | R354 S358 | R354-R356 PolarHBondContact O-N 3.33Å; R356-S358 PolarHBondContact O-N 3.37Å |
| 357 | D | 43.8 | Very low | 44.9 | Very low | 153 Ų | 153 | 156.1 Ų | 156.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119 | 169.8 | -62.1 | -41.5 | 0 | 0 | 0 | 109.7 | ||
| 358 | S | 47.8 | Very low | 45.2 | Very low | 112 Ų | 112 | 160.6 Ų | 160.6 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -88.6 | 114.2 | 163.4 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | R356 | R356-S358 PolarHBondContact O-N 3.37Š| ||
| 359 | K | 51.6 | Low | 45 | Very low | 202 Ų | 202 | 168 Ų | 168 | 88% | 0.878 | 86% | 0.858 | S | S | * | * | trans | -67.6 | 140.1 | 163.1 | -78.2 | -176.9 | 174.3 | -178.3 | 0 | 109.7 | ||||
| 360 | P | 60.3 | Low | 45.2 | Very low | 122 Ų | 122 | 170.7 Ų | 170.7 | 79% | 0.792 | 87% | 0.87 | S | S | * | * | trans | -81.2 | 150.8 | 164 | 33.9 | -28.6 | 0 | 0 | 0 | 110.2 | ||||
| 361 | S | 54 | Low | 45.4 | Very low | 190 Ų | 190 | 169.5 Ų | 169.5 | 100% | 1.329 | 88% | 0.876 | S | S | * | * | trans | -58.9 | 0 | 168.3 | 53.3 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 361 of 361 residues in 459.3 ms
(Link to these results)