| 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 | 74.1 | Confident | 86.7 | Confident | 158 Ų | 158 | 71.8 Ų | 71.8 | 78% | 0.778 | 36% | 0.359 | S | S | * | . | 0 | -34.4 | 0 | -87.2 | -151.4 | -72.9 | 0 | 0 | 111.3 | L3 K5 E43 | M1-L3 PolarHBondContact O-N 3.33Å; M1-K5 PolarHBondContact O-N 3.45Å; M1-E43 VanDerWaalsContact N-CD 3.33Å; M1-E43 PolarHBondContact N-OE1 3.03Å; M1-E43 PolarHBondContact N-OE2 2.76Å | |||
| 2 | S | 80.5 | Confident | 87.1 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 11% | 0.112 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 179.5 | -61 | 0 | 0 | 0 | 0 | 112.7 | E4 K5 G6 H38 E43 | S2-E4 PolarHBondContact O-N 2.84Å; S2-K5 PolarHBondContact O-N 3.45Å; S2-G6 PolarHBondContact O-N 3.25Å; S2-H38 PolarHBondContact OG-ND1 3.4Å; S2-H38 VanDerWaalsContact OG-ND1 3.12Å; S2-E43 PolarHBondContact N-OE1 3.4Å; S2-E43 PolarHBondContact N-OE2 2.99Å; S2-E43 PolarHBondContact OG-OE1 2.92Å |
| 3 | L | 84.2 | Confident | 87.3 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 178.2 | -176.1 | 63.4 | 0 | 0 | 0 | 113 | M1 G6 I7 F36 A39 E43 I53 | M1-L3 PolarHBondContact O-N 3.33Å; L3-G6 PolarHBondContact O-N 2.72Å; L3-I7 HydrophobicContact CG-CD1 4.17Å; L3-I7 WeakPolarHBondContact O-CG1 3.3Å; L3-I7 PolarHBondContact O-N 2.86Å; L3-F36 HydrophobicContact CD1-CD1 3.86Å; L3-F36 HydrophobicContact CD1-CE1 3.83Å; L3-A39 HydrophobicContact CB-CB 4.12Å; L3-A39 HydrophobicContact CD1-CB 4.37Å; L3-E43 PolarHBondContact N-OE2 3.41Å; L3-E43 VanDerWaalsContact N-OE2 3.11Å; L3-I53 HydrophobicContact CD1-CD1 4.02Å; L3-I53 HydrophobicContact CD1-CG1 4.02Å; L3-I53 HydrophobicContact CD1-CG2 4.41Å; L3-I53 HydrophobicContact CD2-CD1 4.42Å |
| 4 | E | 86.2 | Confident | 87.5 | Confident | 129 Ų | 129 | 64.8 Ų | 64.8 | 60% | 0.603 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.1 | -42.2 | 179.4 | -68.7 | 173.6 | 171.4 | 0 | 0 | 111.8 | S2 G6 I7 Q8 | S2-E4 PolarHBondContact O-N 2.84Å; E4-G6 VanDerWaalsContact C-N 3.33Å; E4-G6 PolarHBondContact O-N 2.83Å; E4-I7 PolarHBondContact O-N 2.8Å; E4-Q8 WeakPolarHBondContact O-CG 2.84Å; E4-Q8 PolarHBondContact O-N 3.26Å |
| 5 | K | 88.2 | Confident | 87.8 | Confident | 97 Ų | 97 | 66 Ų | 66 | 42% | 0.422 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 173.8 | -73.2 | -175.7 | 176.6 | -175.6 | 0 | 111.8 | M1 S2 I7 Q8 L9 Y35 | M1-K5 PolarHBondContact O-N 3.45Å; S2-K5 PolarHBondContact O-N 3.45Å; K5-I7 PolarHBondContact O-N 3.4Å; K5-Q8 PolarHBondContact O-N 2.9Å; K5-L9 WeakPolarHBondContact O-CG 3.31Å; K5-L9 PolarHBondContact O-N 3.17Å; K5-Y35 HydrophobicContact CB-CD1 3.84Å; K5-Y35 HydrophobicContact CB-CD2 4.48Å; K5-Y35 HydrophobicContact CB-CE1 3.86Å; K5-Y35 HydrophobicContact CB-CG 4.17Å; K5-Y35 HydrophobicContact CD-CD1 4.28Å; K5-Y35 HydrophobicContact CD-CE1 3.53Å; K5-Y35 HydrophobicContact CG-CE1 4.36Å |
| 6 | G | 88.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.4 | -47 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | S2 L3 E4 Q8 L9 V10 | S2-G6 PolarHBondContact O-N 3.25Å; L3-G6 PolarHBondContact O-N 2.72Å; E4-G6 VanDerWaalsContact C-N 3.33Å; E4-G6 PolarHBondContact O-N 2.83Å; G6-Q8 PolarHBondContact O-N 3.3Å; G6-L9 PolarHBondContact O-N 2.78Å; G6-V10 WeakPolarHBondContact O-CG2 3.48Å; G6-V10 PolarHBondContact O-N 2.93Å |
| 7 | I | 89.1 | Confident | 87.9 | Confident | 91 Ų | 91 | 62.2 Ų | 62.2 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 178.3 | -65.5 | 165.2 | 0 | 0 | 0 | 111.8 | L3 E4 K5 V10 T11 F36 | L3-I7 HydrophobicContact CG-CD1 4.17Å; L3-I7 WeakPolarHBondContact O-CG1 3.3Å; L3-I7 PolarHBondContact O-N 2.86Å; E4-I7 PolarHBondContact O-N 2.8Å; K5-I7 PolarHBondContact O-N 3.4Å; I7-V10 PolarHBondContact O-N 2.98Å; I7-T11 PolarHBondContact O-N 3.5Å; I7-T11 PolarHBondContact O-OG1 3.34Å; I7-F36 HydrophobicContact CG1-CE1 4.23Å; I7-F36 HydrophobicContact CG1-CZ 4.39Å |
| 8 | Q | 90.5 | Very high | 88 | Confident | 126 Ų | 126 | 68.1 Ų | 68.1 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 176.2 | -72 | 174.7 | 9.9 | 0 | 0 | 111.6 | E4 K5 G6 T11 L12 | E4-Q8 WeakPolarHBondContact O-CG 2.84Å; E4-Q8 PolarHBondContact O-N 3.26Å; K5-Q8 PolarHBondContact O-N 2.9Å; G6-Q8 PolarHBondContact O-N 3.3Å; Q8-T11 WeakPolarHBondContact O-CB 3.48Å; Q8-T11 PolarHBondContact O-N 3.19Å; Q8-T11 VanDerWaalsContact O-N 3.16Å; Q8-L12 PolarHBondContact O-N 3.4Å |
| 9 | L | 91.3 | Very high | 88.1 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 178.3 | -74.4 | 165.8 | 0 | 0 | 0 | 112.5 | K5 G6 T11 L12 A13 Y28 H31 A32 Y35 | K5-L9 WeakPolarHBondContact O-CG 3.31Å; K5-L9 PolarHBondContact O-N 3.17Å; G6-L9 PolarHBondContact O-N 2.78Å; L9-T11 VanDerWaalsContact C-N 3.29Å; L9-T11 PolarHBondContact O-N 3.1Å; L9-L12 PolarHBondContact O-N 2.92Å; L9-A13 WeakPolarHBondContact O-CB 3.43Å; L9-A13 PolarHBondContact O-N 3.42Å; L9-Y28 HydrophobicContact CD2-CD1 3.85Å; L9-Y28 HydrophobicContact CD2-CE1 4.38Å; L9-H31 HydrophobicContact CD1-CB 3.93Å; L9-A32 HydrophobicContact CB-CB 3.75Å; L9-Y35 HydrophobicContact CD1-CD2 3.35Å; L9-Y35 HydrophobicContact CD1-CE2 3.49Å; L9-Y35 VanDerWaalsContact CD1-CE2 3.49Å; L9-Y35 HydrophobicContact CD1-CG 4.46Å |
| 10 | V | 90.5 | Very high | 88 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 171.7 | 168.9 | 0 | 0 | 0 | 0 | 111 | G6 I7 L12 A13 T14 A32 F36 Y60 | G6-V10 WeakPolarHBondContact O-CG2 3.48Å; G6-V10 PolarHBondContact O-N 2.93Å; I7-V10 PolarHBondContact O-N 2.98Å; V10-L12 VanDerWaalsContact C-N 3.3Å; V10-L12 PolarHBondContact O-N 3.41Å; V10-A13 WeakPolarHBondContact O-CB 3.21Å; V10-A13 PolarHBondContact O-N 2.83Å; V10-A13 VanDerWaalsContact O-N 3.14Å; V10-T14 HydrophobicContact CG1-CG2 4.17Å; V10-T14 WeakPolarHBondContact O-CG2 3.39Å; V10-T14 PolarHBondContact O-N 2.96Å; V10-T14 PolarHBondContact O-OG1 2.84Å; V10-A32 HydrophobicContact CG2-CB 3.73Å; V10-F36 HydrophobicContact CG2-CE2 3.49Å; V10-F36 VanDerWaalsContact CG2-CE2 3.49Å; V10-F36 HydrophobicContact CG2-CZ 3.79Å; V10-Y60 HydrophobicContact CB-CE1 4.38Å; V10-Y60 HydrophobicContact CB-CE2 4.48Å; V10-Y60 HydrophobicContact CG1-CD1 3.98Å; V10-Y60 HydrophobicContact CG1-CE1 3.31Å; V10-Y60 HydrophobicContact CG1-CE2 4.12Å; V10-Y60 HydrophobicContact CG2-CD1 4.23Å; V10-Y60 HydrophobicContact CG2-CD2 3.74Å; V10-Y60 HydrophobicContact CG2-CE1 4.09Å; V10-Y60 HydrophobicContact CG2-CE2 3.57Å; V10-Y60 HydrophobicContact CG2-CG 4.09Å |
| 11 | T | 90.4 | Very high | 88.1 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | -179.6 | -53.9 | 0 | 0 | 0 | 0 | 110.3 | I7 Q8 L9 T14 N15 | I7-T11 PolarHBondContact O-N 3.5Å; I7-T11 PolarHBondContact O-OG1 3.34Å; Q8-T11 WeakPolarHBondContact O-CB 3.48Å; Q8-T11 PolarHBondContact O-N 3.19Å; Q8-T11 VanDerWaalsContact O-N 3.16Å; L9-T11 VanDerWaalsContact C-N 3.29Å; L9-T11 PolarHBondContact O-N 3.1Å; T11-T14 PolarHBondContact O-N 3.01Å; T11-T14 PolarHBondContact O-OG1 3.31Å; T11-N15 VanDerWaalsContact O-CG 3.32Å; T11-N15 PolarHBondContact O-N 3.16Å; T11-N15 VanDerWaalsContact O-N 3.13Å; T11-N15 PolarHBondContact O-ND2 3.35Å |
| 12 | L | 91.4 | Very high | 88.8 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 172.4 | -66.2 | 173.7 | 0 | 0 | 0 | 112.2 | Q8 L9 V10 T14 N15 E16 Y28 | Q8-L12 PolarHBondContact O-N 3.4Å; L9-L12 PolarHBondContact O-N 2.92Å; V10-L12 VanDerWaalsContact C-N 3.3Å; V10-L12 PolarHBondContact O-N 3.41Å; L12-T14 VanDerWaalsContact C-N 3.34Å; L12-T14 PolarHBondContact O-N 3.02Å; L12-N15 PolarHBondContact O-N 3.45Å; L12-N15 VanDerWaalsContact O-N 3.17Å; L12-E16 PolarHBondContact O-N 3.03Å; L12-Y28 HydrophobicContact CB-CD1 4.37Å; L12-Y28 HydrophobicContact CB-CD2 3.95Å; L12-Y28 HydrophobicContact CB-CE1 4.49Å; L12-Y28 HydrophobicContact CB-CE2 4.06Å; L12-Y28 HydrophobicContact CB-CG 4.12Å; L12-Y28 HydrophobicContact CD1-CE1 4.16Å |
| 13 | A | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L9 V10 N15 E16 D17 Y29 | L9-A13 WeakPolarHBondContact O-CB 3.43Å; L9-A13 PolarHBondContact O-N 3.42Å; V10-A13 WeakPolarHBondContact O-CB 3.21Å; V10-A13 PolarHBondContact O-N 2.83Å; V10-A13 VanDerWaalsContact O-N 3.14Å; A13-N15 VanDerWaalsContact C-N 3.31Å; A13-N15 PolarHBondContact O-N 3.24Å; A13-E16 PolarHBondContact O-N 2.82Å; A13-D17 WeakPolarHBondContact O-CB 3.32Å; A13-D17 PolarHBondContact O-N 3.42Å; A13-Y29 HydrophobicContact CB-CD1 3.57Å; A13-Y29 HydrophobicContact CB-CD2 3.9Å; A13-Y29 HydrophobicContact CB-CE1 3.58Å; A13-Y29 HydrophobicContact CB-CE2 3.92Å; A13-Y29 HydrophobicContact CB-CG 3.73Å |
| 14 | T | 90.1 | Very high | 89.1 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 26% | 0.258 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.5 | -31 | 179.3 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | V10 T11 L12 K18 | V10-T14 HydrophobicContact CG1-CG2 4.17Å; V10-T14 WeakPolarHBondContact O-CG2 3.39Å; V10-T14 PolarHBondContact O-N 2.96Å; V10-T14 PolarHBondContact O-OG1 2.84Å; T11-T14 PolarHBondContact O-N 3.01Å; T11-T14 PolarHBondContact O-OG1 3.31Å; L12-T14 VanDerWaalsContact C-N 3.34Å; L12-T14 PolarHBondContact O-N 3.02Å; T14-K18 WeakPolarHBondContact O-CB 3.19Å; T14-K18 VanDerWaalsContact O-CG 3.25Å; T14-K18 WeakPolarHBondContact O-CG 3.32Å; T14-K18 PolarHBondContact O-N 3.13Å |
| 15 | N | 90.9 | Very high | 89.2 | Confident | 83 Ų | 83 | 65.7 Ų | 65.7 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -71.1 | -45 | 175.1 | -72.5 | -20.8 | 0 | 0 | 0 | 111.3 | T11 L12 A13 D17 K18 A19 | T11-N15 VanDerWaalsContact O-CG 3.32Å; T11-N15 PolarHBondContact O-N 3.16Å; T11-N15 VanDerWaalsContact O-N 3.13Å; T11-N15 PolarHBondContact O-ND2 3.35Å; L12-N15 PolarHBondContact O-N 3.45Å; L12-N15 VanDerWaalsContact O-N 3.17Å; A13-N15 VanDerWaalsContact C-N 3.31Å; A13-N15 PolarHBondContact O-N 3.24Å; N15-D17 VanDerWaalsContact C-N 3.34Å; N15-K18 PolarHBondContact O-N 2.76Å; N15-A19 WeakPolarHBondContact O-CB 3.2Å; N15-A19 PolarHBondContact O-N 3.31Å |
| 16 | E | 89.7 | Confident | 89.2 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 175.3 | -68.2 | -58 | 150.6 | 0 | 0 | 112.2 | L12 A13 A19 K20 N21 Q24 A25 Y28 | L12-E16 PolarHBondContact O-N 3.03Å; A13-E16 PolarHBondContact O-N 2.82Å; E16-A19 CarbonylContact O-C 3.59Å; E16-A19 PolarHBondContact O-N 3.36Å; E16-K20 PolarHBondContact O-N 2.89Å; E16-K20 VanDerWaalsContact O-N 3.09Å; E16-N21 HydrophobicContact CB-CB 4.27Å; E16-N21 PolarHBondContact O-N 2.82Å; E16-N21 WeakPolarHBondContact OE2-CB 3.47Å; E16-N21 PolarHBondContact OE2-ND2 3.06Å; E16-Q24 HydrophobicContact CG-CB 4.22Å; E16-Q24 HydrophobicContact CG-CG 3.96Å; E16-A25 HydrophobicContact CB-CB 3.83Å; E16-Y28 HydrophobicContact CG-CD2 3.85Å; E16-Y28 HydrophobicContact CG-CE2 3.72Å |
| 17 | D | 88.5 | Confident | 89.2 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.6 | -167.1 | -0.9 | 0 | 0 | 0 | 110.7 | A13 N15 A19 K20 A25 Y29 R63 | A13-D17 WeakPolarHBondContact O-CB 3.32Å; A13-D17 PolarHBondContact O-N 3.42Å; N15-D17 VanDerWaalsContact C-N 3.34Å; D17-A19 VanDerWaalsContact C-N 3.31Å; D17-A19 PolarHBondContact O-N 3.44Å; D17-K20 PolarHBondContact O-N 3.34Å; D17-A25 HydrophobicContact CB-CB 4Å; D17-Y29 HydrophobicContact CB-CE2 4.38Å; D17-Y29 PolarHBondContact OD2-OH 3.42Å; D17-Y29 VanDerWaalsContact OD2-OH 3.05Å; D17-R63 IonicContact OD1-CZ 2.73Å; D17-R63 IonicContact OD1-NE 2.77Å; D17-R63 IonicContact OD1-NH2 3.64Å; D17-R63 PolarHBondContact OD1-NH2 3.12Å; D17-R63 IonicContact OD2-CZ 2.7Å; D17-R63 IonicContact OD2-NE 3.18Å; D17-R63 PolarHBondContact OD2-NE 3.35Å; D17-R63 IonicContact OD2-NH2 2.7Å; D17-R63 PolarHBondContact OD2-NH2 2.72Å |
| 18 | K | 89.3 | Confident | 89.3 | Confident | 167 Ų | 167 | 66.8 Ų | 66.8 | 73% | 0.726 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.8 | -35.9 | 171.7 | -74.7 | 172.3 | -176.4 | 174.3 | 0 | 112.8 | T14 N15 K20 | T14-K18 WeakPolarHBondContact O-CB 3.19Å; T14-K18 VanDerWaalsContact O-CG 3.25Å; T14-K18 WeakPolarHBondContact O-CG 3.32Å; T14-K18 PolarHBondContact O-N 3.13Å; N15-K18 PolarHBondContact O-N 2.76Å; K18-K20 PolarHBondContact O-N 3.06Å |
| 19 | A | 90 | Very high | 89.3 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N15 E16 D17 N21 | N15-A19 WeakPolarHBondContact O-CB 3.2Å; N15-A19 PolarHBondContact O-N 3.31Å; E16-A19 CarbonylContact O-C 3.59Å; E16-A19 PolarHBondContact O-N 3.36Å; D17-A19 VanDerWaalsContact C-N 3.31Å; D17-A19 PolarHBondContact O-N 3.44Å; A19-N21 PolarHBondContact O-N 3.17Å |
| 20 | K | 86.8 | Confident | 89.1 | Confident | 153 Ų | 153 | 63 Ų | 63 | 67% | 0.665 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 20.1 | -175.5 | -53.9 | 178.6 | 179.4 | 177.3 | 0 | 113.6 | E16 D17 K18 Y22 | E16-K20 PolarHBondContact O-N 2.89Å; E16-K20 VanDerWaalsContact O-N 3.09Å; D17-K20 PolarHBondContact O-N 3.34Å; K18-K20 PolarHBondContact O-N 3.06Å; K20-Y22 HydrophobicContact CB-CE2 4Å; K20-Y22 VanDerWaalsContact O-CD2 3.3Å; K20-Y22 WeakPolarHBondContact O-CD2 3.33Å; K20-Y22 PolarHBondContact O-N 3.43Å; K20-Y22 VanDerWaalsContact O-N 3.1Å |
| 21 | N | 89.4 | Confident | 89 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | trans | -86.3 | 65.7 | 173 | -73.5 | -17.5 | 0 | 0 | 0 | 109.7 | E16 A19 E23 Q24 A25 | E16-N21 HydrophobicContact CB-CB 4.27Å; E16-N21 PolarHBondContact O-N 2.82Å; E16-N21 WeakPolarHBondContact OE2-CB 3.47Å; E16-N21 PolarHBondContact OE2-ND2 3.06Å; A19-N21 PolarHBondContact O-N 3.17Å; N21-E23 VanDerWaalsContact C-N 3.3Å; N21-E23 PolarHBondContact O-N 3.15Å; N21-Q24 HydrophobicContact CB-CB 4.49Å; N21-Q24 PolarHBondContact O-N 3.27Å; N21-Q24 VanDerWaalsContact O-N 3.15Å; N21-A25 WeakPolarHBondContact O-CB 3.41Å; N21-A25 PolarHBondContact O-N 2.93Å | ||
| 22 | Y | 87.9 | Confident | 89 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 17% | 0.169 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.4 | -35.9 | -170.3 | -66.5 | -57.8 | 0 | 0 | 0 | 114.7 | K20 L26 I67 Y70 | K20-Y22 HydrophobicContact CB-CE2 4Å; K20-Y22 VanDerWaalsContact O-CD2 3.3Å; K20-Y22 WeakPolarHBondContact O-CD2 3.33Å; K20-Y22 PolarHBondContact O-N 3.43Å; K20-Y22 VanDerWaalsContact O-N 3.1Å; Y22-L26 VanDerWaalsContact O-CB 3.23Å; Y22-L26 WeakPolarHBondContact O-CB 3.3Å; Y22-L26 PolarHBondContact O-N 3.48Å; Y22-I67 HydrophobicContact CD1-CG1 4.21Å; Y22-I67 HydrophobicContact CD1-CG2 4.12Å; Y22-I67 HydrophobicContact CG-CG2 4.32Å; Y22-I67 WeakPolarHBondContact O-CG2 3.41Å; Y22-Y70 AromaticContact CD2-CD1 3.85Å; Y22-Y70 HydrophobicContact CD2-CD1 3.85Å; Y22-Y70 AromaticContact CD2-CE1 3.53Å; Y22-Y70 HydrophobicContact CD2-CE1 3.53Å; Y22-Y70 AromaticContact CE2-CD1 3.84Å; Y22-Y70 HydrophobicContact CE2-CD1 3.84Å; Y22-Y70 AromaticContact CE2-CE1 3.24Å; Y22-Y70 HydrophobicContact CE2-CE1 3.24Å; Y22-Y70 AromaticContact CE2-CZ 4Å; Y22-Y70 HydrophobicContact CG-CD1 4.25Å; Y22-Y70 HydrophobicContact CG-CE1 4.37Å; Y22-Y70 AromaticContact CZ-CE1 3.9Å |
| 23 | E | 84.8 | Confident | 88.8 | Confident | 121 Ų | 121 | 60.5 Ų | 60.5 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 178.9 | -170.5 | 171.7 | 179.2 | 0 | 0 | 112 | N21 R27 M71 | N21-E23 VanDerWaalsContact C-N 3.3Å; N21-E23 PolarHBondContact O-N 3.15Å; E23-R27 PolarHBondContact O-N 3.24Å; E23-M71 HydrophobicContact CB-CE 4.18Å |
| 24 | Q | 86.4 | Confident | 88.5 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -76 | -38.9 | 178.3 | -166.9 | 63.7 | 19 | 0 | 0 | 111.5 | E16 N21 L26 R27 Y28 | E16-Q24 HydrophobicContact CG-CB 4.22Å; E16-Q24 HydrophobicContact CG-CG 3.96Å; N21-Q24 HydrophobicContact CB-CB 4.49Å; N21-Q24 PolarHBondContact O-N 3.27Å; N21-Q24 VanDerWaalsContact O-N 3.15Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.01Å; Q24-R27 PolarHBondContact O-N 3.03Å; Q24-Y28 HydrophobicContact CG-CD2 4.04Å; Q24-Y28 HydrophobicContact CG-CE2 3.55Å; Q24-Y28 VanDerWaalsContact NE2-CZ 3.27Å; Q24-Y28 PolarHBondContact NE2-OH 3.49Å; Q24-Y28 VanDerWaalsContact O-CD2 3.32Å; Q24-Y28 WeakPolarHBondContact O-CD2 3.44Å; Q24-Y28 PolarHBondContact O-N 3.27Å |
| 25 | A | 89 | Confident | 88.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E16 D17 N21 R27 Y28 Y29 I67 | E16-A25 HydrophobicContact CB-CB 3.83Å; D17-A25 HydrophobicContact CB-CB 4Å; N21-A25 WeakPolarHBondContact O-CB 3.41Å; N21-A25 PolarHBondContact O-N 2.93Å; A25-R27 PolarHBondContact O-N 3.22Å; A25-Y28 PolarHBondContact O-N 2.67Å; A25-Y29 HydrophobicContact CB-CE2 4.4Å; A25-Y29 WeakPolarHBondContact O-CD2 3.49Å; A25-Y29 PolarHBondContact O-N 3.45Å; A25-I67 HydrophobicContact CB-CD1 4.2Å |
| 26 | L | 88.8 | Confident | 88.3 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 177.2 | -178.8 | 155.2 | 0 | 0 | 0 | 111.8 | Y22 Q24 Y28 Y29 E30 I67 K68 | Y22-L26 VanDerWaalsContact O-CB 3.23Å; Y22-L26 WeakPolarHBondContact O-CB 3.3Å; Y22-L26 PolarHBondContact O-N 3.48Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.01Å; L26-Y28 VanDerWaalsContact C-N 3.3Å; L26-Y28 PolarHBondContact O-N 3.27Å; L26-Y29 PolarHBondContact O-N 3.26Å; L26-E30 VanDerWaalsContact CD2-CD 3.49Å; L26-E30 HydrophobicContact CD2-CG 4.3Å; L26-E30 WeakPolarHBondContact CD2-OE2 3.35Å; L26-E30 WeakPolarHBondContact O-CG 3.47Å; L26-E30 PolarHBondContact O-N 3.01Å; L26-I67 HydrophobicContact CB-CG2 4.12Å; L26-I67 HydrophobicContact CD1-CG2 4.19Å; L26-K68 HydrophobicContact CD1-CB 4.38Å; L26-K68 HydrophobicContact CD1-CD 4.26Å; L26-K68 HydrophobicContact CD1-CG 3.31Å; L26-K68 HydrophobicContact CG-CG 4.34Å |
| 27 | R | 88 | Confident | 87.9 | Confident | 128 Ų | 128 | 63.1 Ų | 63.1 | 48% | 0.483 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 176 | -74.1 | -178.7 | 178.9 | 179.3 | 2.2 | 112.3 | E23 Q24 A25 H31 | E23-R27 PolarHBondContact O-N 3.24Å; Q24-R27 PolarHBondContact O-N 3.03Å; A25-R27 PolarHBondContact O-N 3.22Å; R27-H31 PolarHBondContact O-N 3.17Å; R27-H31 PolarHBondContact O-ND1 3.24Å |
| 28 | Y | 91.5 | Very high | 87.7 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 22% | 0.216 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.6 | -39.2 | 178.3 | -72.3 | -47.4 | 0 | 0 | 0 | 112.7 | L9 L12 E16 Q24 A25 L26 A32 | L9-Y28 HydrophobicContact CD2-CD1 3.85Å; L9-Y28 HydrophobicContact CD2-CE1 4.38Å; L12-Y28 HydrophobicContact CB-CD1 4.37Å; L12-Y28 HydrophobicContact CB-CD2 3.95Å; L12-Y28 HydrophobicContact CB-CE1 4.49Å; L12-Y28 HydrophobicContact CB-CE2 4.06Å; L12-Y28 HydrophobicContact CB-CG 4.12Å; L12-Y28 HydrophobicContact CD1-CE1 4.16Å; E16-Y28 HydrophobicContact CG-CD2 3.85Å; E16-Y28 HydrophobicContact CG-CE2 3.72Å; Q24-Y28 HydrophobicContact CG-CD2 4.04Å; Q24-Y28 HydrophobicContact CG-CE2 3.55Å; Q24-Y28 VanDerWaalsContact NE2-CZ 3.27Å; Q24-Y28 PolarHBondContact NE2-OH 3.49Å; Q24-Y28 VanDerWaalsContact O-CD2 3.32Å; Q24-Y28 WeakPolarHBondContact O-CD2 3.44Å; Q24-Y28 PolarHBondContact O-N 3.27Å; A25-Y28 PolarHBondContact O-N 2.67Å; L26-Y28 VanDerWaalsContact C-N 3.3Å; L26-Y28 PolarHBondContact O-N 3.27Å; Y28-A32 WeakPolarHBondContact O-CB 3.36Å; Y28-A32 PolarHBondContact O-N 3.02Å |
| 29 | Y | 90.4 | Very high | 87.4 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 173.4 | -75.9 | -58.2 | 0 | 0 | 0 | 111 | A13 D17 A25 L26 H31 A32 I33 Y60 R63 A64 I67 | A13-Y29 HydrophobicContact CB-CD1 3.57Å; A13-Y29 HydrophobicContact CB-CD2 3.9Å; A13-Y29 HydrophobicContact CB-CE1 3.58Å; A13-Y29 HydrophobicContact CB-CE2 3.92Å; A13-Y29 HydrophobicContact CB-CG 3.73Å; D17-Y29 HydrophobicContact CB-CE2 4.38Å; D17-Y29 PolarHBondContact OD2-OH 3.42Å; D17-Y29 VanDerWaalsContact OD2-OH 3.05Å; A25-Y29 HydrophobicContact CB-CE2 4.4Å; A25-Y29 WeakPolarHBondContact O-CD2 3.49Å; A25-Y29 PolarHBondContact O-N 3.45Å; L26-Y29 PolarHBondContact O-N 3.26Å; Y29-H31 PolarHBondContact O-N 3.07Å; Y29-A32 WeakPolarHBondContact O-CB 3.47Å; Y29-A32 PolarHBondContact O-N 2.74Å; Y29-A32 VanDerWaalsContact O-N 3.13Å; Y29-I33 WeakPolarHBondContact O-CD1 3.24Å; Y29-I33 WeakPolarHBondContact O-CG1 3.38Å; Y29-I33 PolarHBondContact O-N 3.45Å; Y29-Y60 HydrophobicContact CD1-CD1 4.28Å; Y29-Y60 HydrophobicContact CD1-CG 4.46Å; Y29-Y60 AromaticContact CE1-CD1 3.93Å; Y29-Y60 HydrophobicContact CE1-CD1 3.93Å; Y29-R63 HydrophobicContact CE2-CG 3.88Å; Y29-A64 HydrophobicContact CG-CB 4.43Å; Y29-I67 HydrophobicContact CD2-CD1 3.92Å; Y29-I67 HydrophobicContact CE2-CD1 3.62Å |
| 30 | E | 87 | Confident | 87 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.5 | -49.3 | 178.6 | -74 | 178.9 | 160.5 | 0 | 0 | 112.2 | L26 A32 I33 E34 K68 | L26-E30 VanDerWaalsContact CD2-CD 3.49Å; L26-E30 HydrophobicContact CD2-CG 4.3Å; L26-E30 WeakPolarHBondContact CD2-OE2 3.35Å; L26-E30 WeakPolarHBondContact O-CG 3.47Å; L26-E30 PolarHBondContact O-N 3.01Å; E30-A32 PolarHBondContact O-N 2.69Å; E30-I33 WeakPolarHBondContact O-CB 3.44Å; E30-I33 PolarHBondContact O-N 2.99Å; E30-E34 PolarHBondContact O-N 3.47Å; E30-K68 WeakPolarHBondContact OE1-CE 3.21Å; E30-K68 IonicContact OE1-NZ 2.72Å; E30-K68 PolarHBondContact OE1-NZ 3.5Å |
| 31 | H | 88.7 | Confident | 86.6 | Confident | 90 Ų | 90 | 53.8 Ų | 53.8 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.1 | -72.5 | 101.4 | 0 | 0 | 0 | 112.6 | L9 R27 Y29 I33 E34 Y35 | L9-H31 HydrophobicContact CD1-CB 3.93Å; R27-H31 PolarHBondContact O-N 3.17Å; R27-H31 PolarHBondContact O-ND1 3.24Å; Y29-H31 PolarHBondContact O-N 3.07Å; H31-I33 VanDerWaalsContact C-N 3.25Å; H31-I33 PolarHBondContact O-N 2.98Å; H31-E34 IonicContact CD2-OE2 2.75Å; H31-E34 PolarHBondContact O-N 2.9Å; H31-Y35 VanDerWaalsContact O-CD2 3.26Å; H31-Y35 WeakPolarHBondContact O-CD2 3.42Å; H31-Y35 PolarHBondContact O-N 3.25Å |
| 32 | A | 89.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L9 V10 Y28 Y29 E30 Y35 F36 | L9-A32 HydrophobicContact CB-CB 3.75Å; V10-A32 HydrophobicContact CG2-CB 3.73Å; Y28-A32 WeakPolarHBondContact O-CB 3.36Å; Y28-A32 PolarHBondContact O-N 3.02Å; Y29-A32 WeakPolarHBondContact O-CB 3.47Å; Y29-A32 PolarHBondContact O-N 2.74Å; Y29-A32 VanDerWaalsContact O-N 3.13Å; E30-A32 PolarHBondContact O-N 2.69Å; A32-Y35 PolarHBondContact O-N 2.65Å; A32-F36 HydrophobicContact CB-CE2 4.27Å; A32-F36 WeakPolarHBondContact O-CD2 3.47Å; A32-F36 PolarHBondContact O-N 2.93Å |
| 33 | I | 87.3 | Confident | 85.9 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 178.3 | -65.9 | 153.5 | 0 | 0 | 0 | 110.8 | Y29 E30 H31 Y35 F36 I37 L61 | Y29-I33 WeakPolarHBondContact O-CD1 3.24Å; Y29-I33 WeakPolarHBondContact O-CG1 3.38Å; Y29-I33 PolarHBondContact O-N 3.45Å; E30-I33 WeakPolarHBondContact O-CB 3.44Å; E30-I33 PolarHBondContact O-N 2.99Å; H31-I33 VanDerWaalsContact C-N 3.25Å; H31-I33 PolarHBondContact O-N 2.98Å; I33-Y35 VanDerWaalsContact C-N 3.3Å; I33-Y35 PolarHBondContact O-N 3.32Å; I33-F36 PolarHBondContact O-N 2.93Å; I33-I37 HydrophobicContact CG2-CD1 3.77Å; I33-I37 HydrophobicContact CG2-CG1 4.35Å; I33-I37 WeakPolarHBondContact O-CG1 3.23Å; I33-I37 PolarHBondContact O-N 3.03Å; I33-L61 HydrophobicContact CB-CD1 4.38Å; I33-L61 HydrophobicContact CD1-CB 4.49Å; I33-L61 HydrophobicContact CD1-CD1 4.07Å; I33-L61 HydrophobicContact CD1-CD2 3.59Å; I33-L61 HydrophobicContact CD1-CG 3.43Å; I33-L61 VanDerWaalsContact CD1-CG 3.43Å; I33-L61 HydrophobicContact CG1-CD1 3.84Å; I33-L61 HydrophobicContact CG1-CD2 4.28Å; I33-L61 HydrophobicContact CG1-CG 3.79Å; I33-L61 HydrophobicContact CG2-CD1 3.62Å; I33-L61 HydrophobicContact CG2-CD2 4.09Å; I33-L61 HydrophobicContact CG2-CG 4.1Å |
| 34 | E | 85.6 | Confident | 85.6 | Confident | 122 Ų | 122 | 54.5 Ų | 54.5 | 57% | 0.57 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -57.4 | -43.8 | 176.2 | -66.6 | 177.1 | 171.3 | 0 | 0 | 111.8 | E30 H31 I37 H38 | E30-E34 PolarHBondContact O-N 3.47Å; H31-E34 IonicContact CD2-OE2 2.75Å; H31-E34 PolarHBondContact O-N 2.9Å; E34-I37 PolarHBondContact O-N 3.24Å; E34-H38 WeakPolarHBondContact O-CB 3.13Å; E34-H38 PolarHBondContact O-N 2.88Å |
| 35 | Y | 88.2 | Confident | 85 | Confident | 74 Ų | 74 | 57.3 Ų | 57.3 | 29% | 0.29 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.8 | -82 | -73.6 | 0 | 0 | 0 | 112.9 | K5 L9 H31 A32 I33 H38 A39 | K5-Y35 HydrophobicContact CB-CD1 3.84Å; K5-Y35 HydrophobicContact CB-CD2 4.48Å; K5-Y35 HydrophobicContact CB-CE1 3.86Å; K5-Y35 HydrophobicContact CB-CG 4.17Å; K5-Y35 HydrophobicContact CD-CD1 4.28Å; K5-Y35 HydrophobicContact CD-CE1 3.53Å; K5-Y35 HydrophobicContact CG-CE1 4.36Å; L9-Y35 HydrophobicContact CD1-CD2 3.35Å; L9-Y35 HydrophobicContact CD1-CE2 3.49Å; L9-Y35 VanDerWaalsContact CD1-CE2 3.49Å; L9-Y35 HydrophobicContact CD1-CG 4.46Å; H31-Y35 VanDerWaalsContact O-CD2 3.26Å; H31-Y35 WeakPolarHBondContact O-CD2 3.42Å; H31-Y35 PolarHBondContact O-N 3.25Å; A32-Y35 PolarHBondContact O-N 2.65Å; I33-Y35 VanDerWaalsContact C-N 3.3Å; I33-Y35 PolarHBondContact O-N 3.32Å; Y35-H38 PolarHBondContact O-N 2.85Å; Y35-A39 WeakPolarHBondContact O-CB 3.44Å; Y35-A39 PolarHBondContact O-N 2.93Å |
| 36 | F | 87.2 | Confident | 84.6 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 175.4 | -72.1 | -52.5 | 0 | 0 | 0 | 112.2 | L3 I7 V10 A32 I33 H38 A39 I40 I53 C57 Y60 | L3-F36 HydrophobicContact CD1-CD1 3.86Å; L3-F36 HydrophobicContact CD1-CE1 3.83Å; I7-F36 HydrophobicContact CG1-CE1 4.23Å; I7-F36 HydrophobicContact CG1-CZ 4.39Å; V10-F36 HydrophobicContact CG2-CE2 3.49Å; V10-F36 VanDerWaalsContact CG2-CE2 3.49Å; V10-F36 HydrophobicContact CG2-CZ 3.79Å; A32-F36 HydrophobicContact CB-CE2 4.27Å; A32-F36 WeakPolarHBondContact O-CD2 3.47Å; A32-F36 PolarHBondContact O-N 2.93Å; I33-F36 PolarHBondContact O-N 2.93Å; F36-H38 VanDerWaalsContact C-N 3.3Å; F36-H38 PolarHBondContact O-N 3.38Å; F36-A39 PolarHBondContact O-N 3.39Å; F36-A39 VanDerWaalsContact O-N 3.16Å; F36-I40 WeakPolarHBondContact O-CD1 3.48Å; F36-I40 VanDerWaalsContact O-CG1 3.27Å; F36-I40 WeakPolarHBondContact O-CG1 3.38Å; F36-I40 PolarHBondContact O-N 3.26Å; F36-I53 HydrophobicContact CB-CG2 4.02Å; F36-I53 HydrophobicContact CD1-CG2 3.79Å; F36-I53 HydrophobicContact CG-CG2 4.24Å; F36-C57 HydrophobicContact CB-CB 4.32Å; F36-C57 WeakPolarHBondContact CB-SG 3.36Å; F36-Y60 HydrophobicContact CD2-CD2 4.21Å; F36-Y60 AromaticContact CE2-CD2 3.58Å; F36-Y60 HydrophobicContact CE2-CD2 3.58Å; F36-Y60 AromaticContact CE2-CE2 3.62Å; F36-Y60 HydrophobicContact CE2-CE2 3.62Å; F36-Y60 HydrophobicContact CZ-CD2 4.34Å; F36-Y60 AromaticContact CZ-CE2 3.92Å; F36-Y60 HydrophobicContact CZ-CE2 3.92Å |
| 37 | I | 82.1 | Confident | 84 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 174.9 | -68.1 | 168.5 | 0 | 0 | 0 | 110 | I33 E34 A39 I40 K41 I106 | I33-I37 HydrophobicContact CG2-CD1 3.77Å; I33-I37 HydrophobicContact CG2-CG1 4.35Å; I33-I37 WeakPolarHBondContact O-CG1 3.23Å; I33-I37 PolarHBondContact O-N 3.03Å; E34-I37 PolarHBondContact O-N 3.24Å; I37-A39 VanDerWaalsContact C-N 3.35Å; I37-A39 PolarHBondContact O-N 3.41Å; I37-I40 PolarHBondContact O-N 3.44Å; I37-K41 HydrophobicContact CG2-CD 4.27Å; I37-K41 WeakPolarHBondContact O-CG 3.15Å; I37-K41 PolarHBondContact O-N 2.89Å; I37-I106 HydrophobicContact CD1-CG2 4.45Å |
| 38 | H | 83.7 | Confident | 83.5 | Confident | 83 Ų | 83 | 68.2 Ų | 68.2 | 38% | 0.384 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 174.2 | -173.3 | -70.1 | 0 | 0 | 0 | 111.9 | S2 E34 Y35 F36 I40 K41 Y42 | S2-H38 PolarHBondContact OG-ND1 3.4Å; S2-H38 VanDerWaalsContact OG-ND1 3.12Å; E34-H38 WeakPolarHBondContact O-CB 3.13Å; E34-H38 PolarHBondContact O-N 2.88Å; Y35-H38 PolarHBondContact O-N 2.85Å; F36-H38 VanDerWaalsContact C-N 3.3Å; F36-H38 PolarHBondContact O-N 3.38Å; H38-I40 PolarHBondContact O-N 2.85Å; H38-K41 PolarHBondContact O-N 3.18Å; H38-Y42 AromaticContact CD2-CD2 3.83Å; H38-Y42 AromaticContact CE1-CD2 3.65Å; H38-Y42 AromaticContact CG-CD2 3.95Å; H38-Y42 AromaticContact ND1-CD2 3.84Å; H38-Y42 AromaticContact NE2-CD2 3.65Å; H38-Y42 WeakPolarHBondContact O-CD2 3.13Å; H38-Y42 PolarHBondContact O-N 3.33Å |
| 39 | A | 83.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -63.3 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L3 Y35 F36 I37 E43 A44 | L3-A39 HydrophobicContact CB-CB 4.12Å; L3-A39 HydrophobicContact CD1-CB 4.37Å; Y35-A39 WeakPolarHBondContact O-CB 3.44Å; Y35-A39 PolarHBondContact O-N 2.93Å; F36-A39 PolarHBondContact O-N 3.39Å; F36-A39 VanDerWaalsContact O-N 3.16Å; I37-A39 VanDerWaalsContact C-N 3.35Å; I37-A39 PolarHBondContact O-N 3.41Å; A39-E43 HydrophobicContact CB-CB 4.44Å; A39-E43 CarbonylContact O-C 3.42Å; A39-E43 WeakPolarHBondContact O-CA 3.28Å; A39-E43 PolarHBondContact O-N 2.97Å; A39-A44 PolarHBondContact O-N 2.97Å |
| 40 | I | 81.7 | Confident | 82.4 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -62.8 | -42.2 | 175.5 | -68.5 | 159.2 | 0 | 0 | 0 | 111.1 | F36 I37 H38 K50 I53 Q54 | F36-I40 WeakPolarHBondContact O-CD1 3.48Å; F36-I40 VanDerWaalsContact O-CG1 3.27Å; F36-I40 WeakPolarHBondContact O-CG1 3.38Å; F36-I40 PolarHBondContact O-N 3.26Å; I37-I40 PolarHBondContact O-N 3.44Å; H38-I40 PolarHBondContact O-N 2.85Å; I40-K50 HydrophobicContact CG2-CG 4.5Å; I40-K50 WeakPolarHBondContact O-CE 3.45Å; I40-I53 HydrophobicContact CD1-CB 4.39Å; I40-I53 HydrophobicContact CD1-CG2 3.84Å; I40-I53 HydrophobicContact CG1-CB 3.93Å; I40-I53 HydrophobicContact CG1-CG2 3.58Å; I40-Q54 HydrophobicContact CD1-CB 4.45Å; I40-Q54 HydrophobicContact CD1-CG 3.58Å; I40-Q54 HydrophobicContact CG1-CG 4.19Å; I40-Q54 HydrophobicContact CG2-CG 4.43Å |
| 41 | K | 77.3 | Confident | 81.9 | Confident | 94 Ų | 94 | 72.4 Ų | 72.4 | 41% | 0.409 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -72.2 | -38.8 | -177.4 | -73.5 | -175.8 | 178.6 | -173.5 | 0 | 113 | I37 H38 Q109 | I37-K41 HydrophobicContact CG2-CD 4.27Å; I37-K41 WeakPolarHBondContact O-CG 3.15Å; I37-K41 PolarHBondContact O-N 2.89Å; H38-K41 PolarHBondContact O-N 3.18Å; K41-Q109 VanDerWaalsContact CE-O 3.3Å; K41-Q109 WeakPolarHBondContact CE-O 3.28Å; K41-Q109 PolarHBondContact NZ-O 2.77Å |
| 42 | Y | 81.7 | Confident | 81.6 | Confident | 170 Ų | 170 | 71.7 Ų | 71.7 | 67% | 0.667 | 35% | 0.352 | S | S | * | . | I | π-helix | trans | -126.6 | -23.5 | -165.7 | -55.4 | -68.7 | 0 | 0 | 0 | 116 | H38 | H38-Y42 AromaticContact CD2-CD2 3.83Å; H38-Y42 AromaticContact CE1-CD2 3.65Å; H38-Y42 AromaticContact CG-CD2 3.95Å; H38-Y42 AromaticContact ND1-CD2 3.84Å; H38-Y42 AromaticContact NE2-CD2 3.65Å; H38-Y42 WeakPolarHBondContact O-CD2 3.13Å; H38-Y42 PolarHBondContact O-N 3.33Å |
| 43 | E | 81.8 | Confident | 81.3 | Confident | 75 Ų | 75 | 72.5 Ų | 72.5 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -110 | -17.5 | -171.6 | -60.5 | -167.4 | 156.9 | 0 | 0 | 114 | M1 S2 L3 A39 P45 | M1-E43 VanDerWaalsContact N-CD 3.33Å; M1-E43 PolarHBondContact N-OE1 3.03Å; M1-E43 PolarHBondContact N-OE2 2.76Å; S2-E43 PolarHBondContact N-OE1 3.4Å; S2-E43 PolarHBondContact N-OE2 2.99Å; S2-E43 PolarHBondContact OG-OE1 2.92Å; L3-E43 PolarHBondContact N-OE2 3.41Å; L3-E43 VanDerWaalsContact N-OE2 3.11Å; A39-E43 HydrophobicContact CB-CB 4.44Å; A39-E43 CarbonylContact O-C 3.42Å; A39-E43 WeakPolarHBondContact O-CA 3.28Å; A39-E43 PolarHBondContact O-N 2.97Å; E43-P45 WeakPolarHBondContact O-CD 3.34Å |
| 44 | A | 77.5 | Confident | 81 | Confident | 17 Ų | 17 | 75.7 Ų | 75.7 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | trans | -73.7 | 119.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A39 S46 K50 I53 | A39-A44 PolarHBondContact O-N 2.97Å; A44-S46 PolarHBondContact O-N 3.45Å; A44-K50 HydrophobicContact CB-CB 4.39Å; A44-K50 HydrophobicContact CB-CD 4.25Å; A44-K50 HydrophobicContact CB-CG 3.28Å; A44-I53 HydrophobicContact CB-CD1 4.34Å | ||
| 45 | P | 74.2 | Confident | 80.8 | Confident | 122 Ų | 122 | 74.4 Ų | 74.4 | 79% | 0.792 | 37% | 0.367 | S | S | * | . | trans | -80.7 | -14.6 | -169.9 | 31.2 | -36.5 | 0 | 0 | 0 | 114.2 | E43 A49 | E43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-A49 HydrophobicContact CG-CB 4.28Å | ||
| 46 | S | 80.2 | Confident | 80.5 | Confident | 59 Ų | 59 | 72.2 Ų | 72.2 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -151.6 | 159.8 | -179.2 | 64.6 | 0 | 0 | 0 | 0 | 110.9 | A44 R48 A49 K50 | A44-S46 PolarHBondContact O-N 3.45Å; S46-R48 VanDerWaalsContact C-N 3.3Å; S46-R48 PolarHBondContact O-N 2.74Å; S46-A49 WeakPolarHBondContact O-CB 3.22Å; S46-A49 PolarHBondContact O-N 3.06Å; S46-A49 VanDerWaalsContact O-N 3.11Å; S46-A49 WeakPolarHBondContact OG-CB 3.02Å; S46-A49 PolarHBondContact OG-N 2.97Å; S46-K50 PolarHBondContact O-N 3.27Å |
| 47 | D | 76.1 | Confident | 80.4 | Confident | 113 Ų | 113 | 72 Ų | 72 | 60% | 0.604 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.5 | -36.2 | 177.8 | -64.9 | -38.2 | 0 | 0 | 0 | 112.2 | A49 K50 E51 | D47-A49 VanDerWaalsContact C-N 3.3Å; D47-A49 PolarHBondContact O-N 3.45Å; D47-K50 WeakPolarHBondContact O-CB 3.43Å; D47-K50 PolarHBondContact O-N 3.22Å; D47-K50 VanDerWaalsContact O-N 3.15Å; D47-E51 WeakPolarHBondContact O-CG 3.44Å; D47-E51 PolarHBondContact O-N 3.31Å |
| 48 | R | 78.2 | Confident | 80.4 | Confident | 213 Ų | 213 | 71.9 Ų | 71.9 | 80% | 0.804 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.9 | -39.4 | 172 | -76.5 | -174.5 | 175.7 | 158.9 | -0.2 | 112.6 | S46 S52 | S46-R48 VanDerWaalsContact C-N 3.3Å; S46-R48 PolarHBondContact O-N 2.74Å; R48-S52 PolarHBondContact O-N 3.34Å; R48-S52 VanDerWaalsContact O-N 3.08Å |
| 49 | A | 79.3 | Confident | 80.4 | Confident | 27 Ų | 27 | 75.3 Ų | 75.3 | 22% | 0.223 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P45 S46 D47 S52 I53 | P45-A49 HydrophobicContact CG-CB 4.28Å; S46-A49 WeakPolarHBondContact O-CB 3.22Å; S46-A49 PolarHBondContact O-N 3.06Å; S46-A49 VanDerWaalsContact O-N 3.11Å; S46-A49 WeakPolarHBondContact OG-CB 3.02Å; S46-A49 PolarHBondContact OG-N 2.97Å; D47-A49 VanDerWaalsContact C-N 3.3Å; D47-A49 PolarHBondContact O-N 3.45Å; A49-S52 PolarHBondContact O-N 3.47Å; A49-I53 VanDerWaalsContact O-CG1 3.25Å; A49-I53 WeakPolarHBondContact O-CG1 3Å; A49-I53 PolarHBondContact O-N 3.26Å |
| 50 | K | 78.6 | Confident | 80.6 | Confident | 69 Ų | 69 | 78.4 Ų | 78.4 | 30% | 0.3 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 173.9 | -70.9 | 179.3 | -179.2 | 171 | 0 | 111.5 | I40 A44 S46 D47 S52 I53 Q54 | I40-K50 HydrophobicContact CG2-CG 4.5Å; I40-K50 WeakPolarHBondContact O-CE 3.45Å; A44-K50 HydrophobicContact CB-CB 4.39Å; A44-K50 HydrophobicContact CB-CD 4.25Å; A44-K50 HydrophobicContact CB-CG 3.28Å; S46-K50 PolarHBondContact O-N 3.27Å; D47-K50 WeakPolarHBondContact O-CB 3.43Å; D47-K50 PolarHBondContact O-N 3.22Å; D47-K50 VanDerWaalsContact O-N 3.15Å; K50-S52 PolarHBondContact O-N 3.04Å; K50-I53 PolarHBondContact O-N 2.94Å; K50-Q54 WeakPolarHBondContact O-CB 3.49Å; K50-Q54 VanDerWaalsContact O-CG 3.24Å; K50-Q54 WeakPolarHBondContact O-CG 3.44Å; K50-Q54 PolarHBondContact O-N 2.8Å |
| 51 | E | 77.5 | Confident | 80.6 | Confident | 125 Ų | 125 | 78.5 Ų | 78.5 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.1 | -44.5 | 178.1 | -75.4 | 176.4 | 177.3 | 0 | 0 | 112.2 | D47 I53 Q54 L55 | D47-E51 WeakPolarHBondContact O-CG 3.44Å; D47-E51 PolarHBondContact O-N 3.31Å; E51-I53 VanDerWaalsContact C-N 3.35Å; E51-I53 PolarHBondContact O-N 3.42Å; E51-Q54 PolarHBondContact O-N 3.3Å; E51-L55 WeakPolarHBondContact O-CB 3.48Å; E51-L55 PolarHBondContact O-N 2.91Å |
| 52 | S | 81.3 | Confident | 80.8 | Confident | 75 Ų | 75 | 77.7 Ų | 77.7 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 178 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | R48 A49 K50 S56 | R48-S52 PolarHBondContact O-N 3.34Å; R48-S52 VanDerWaalsContact O-N 3.08Å; A49-S52 PolarHBondContact O-N 3.47Å; K50-S52 PolarHBondContact O-N 3.04Å; S52-S56 PolarHBondContact O-N 3.4Å; S52-S56 PolarHBondContact O-OG 3.49Å |
| 53 | I | 84.1 | Confident | 81.1 | Confident | 17 Ų | 17 | 73.6 Ų | 73.6 | 9% | 0.087 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.9 | -43.4 | 177.3 | -61.2 | 163.7 | 0 | 0 | 0 | 109.8 | L3 F36 I40 A44 A49 K50 E51 L55 S56 C57 | L3-I53 HydrophobicContact CD1-CD1 4.02Å; L3-I53 HydrophobicContact CD1-CG1 4.02Å; L3-I53 HydrophobicContact CD1-CG2 4.41Å; L3-I53 HydrophobicContact CD2-CD1 4.42Å; F36-I53 HydrophobicContact CB-CG2 4.02Å; F36-I53 HydrophobicContact CD1-CG2 3.79Å; F36-I53 HydrophobicContact CG-CG2 4.24Å; I40-I53 HydrophobicContact CD1-CB 4.39Å; I40-I53 HydrophobicContact CD1-CG2 3.84Å; I40-I53 HydrophobicContact CG1-CB 3.93Å; I40-I53 HydrophobicContact CG1-CG2 3.58Å; A44-I53 HydrophobicContact CB-CD1 4.34Å; A49-I53 VanDerWaalsContact O-CG1 3.25Å; A49-I53 WeakPolarHBondContact O-CG1 3Å; A49-I53 PolarHBondContact O-N 3.26Å; K50-I53 PolarHBondContact O-N 2.94Å; E51-I53 VanDerWaalsContact C-N 3.35Å; E51-I53 PolarHBondContact O-N 3.42Å; I53-L55 PolarHBondContact O-N 3.38Å; I53-S56 WeakPolarHBondContact O-CB 3.36Å; I53-S56 PolarHBondContact O-N 3.37Å; I53-S56 VanDerWaalsContact O-N 3.16Å; I53-C57 WeakPolarHBondContact O-CB 3.08Å; I53-C57 PolarHBondContact O-N 3.02Å |
| 54 | Q | 80 | Confident | 81.3 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 176.1 | -76.4 | 173.1 | -18.5 | 0 | 0 | 112.2 | I40 K50 E51 S56 C57 A58 | I40-Q54 HydrophobicContact CD1-CB 4.45Å; I40-Q54 HydrophobicContact CD1-CG 3.58Å; I40-Q54 HydrophobicContact CG1-CG 4.19Å; I40-Q54 HydrophobicContact CG2-CG 4.43Å; K50-Q54 WeakPolarHBondContact O-CB 3.49Å; K50-Q54 VanDerWaalsContact O-CG 3.24Å; K50-Q54 WeakPolarHBondContact O-CG 3.44Å; K50-Q54 PolarHBondContact O-N 2.8Å; E51-Q54 PolarHBondContact O-N 3.3Å; Q54-S56 VanDerWaalsContact C-N 3.28Å; Q54-S56 PolarHBondContact O-N 3.48Å; Q54-C57 WeakPolarHBondContact O-CB 3.39Å; Q54-C57 PolarHBondContact O-N 2.86Å; Q54-A58 WeakPolarHBondContact O-CB 3.41Å; Q54-A58 PolarHBondContact O-N 3.08Å |
| 55 | L | 82.9 | Confident | 81.5 | Confident | 95 Ų | 95 | 71.6 Ų | 71.6 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.6 | -35 | 177.7 | -168.5 | 77.7 | 0 | 0 | 0 | 112.1 | E51 I53 R59 | E51-L55 WeakPolarHBondContact O-CB 3.48Å; E51-L55 PolarHBondContact O-N 2.91Å; I53-L55 PolarHBondContact O-N 3.38Å; L55-R59 PolarHBondContact O-N 2.83Å; L55-R59 PolarHBondContact O-NE 3.45Å |
| 56 | S | 80.2 | Confident | 82 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.1 | -45.1 | 175.2 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | S52 I53 Q54 A58 R59 Y60 | S52-S56 PolarHBondContact O-N 3.4Å; S52-S56 PolarHBondContact O-OG 3.49Å; I53-S56 WeakPolarHBondContact O-CB 3.36Å; I53-S56 PolarHBondContact O-N 3.37Å; I53-S56 VanDerWaalsContact O-N 3.16Å; Q54-S56 VanDerWaalsContact C-N 3.28Å; Q54-S56 PolarHBondContact O-N 3.48Å; S56-A58 VanDerWaalsContact C-N 3.35Å; S56-A58 PolarHBondContact O-N 3.01Å; S56-R59 WeakPolarHBondContact O-CB 3.5Å; S56-R59 PolarHBondContact O-N 2.93Å; S56-R59 VanDerWaalsContact O-N 3.16Å; S56-Y60 WeakPolarHBondContact O-CD2 3.46Å; S56-Y60 WeakPolarHBondContact O-CE2 3.37Å; S56-Y60 PolarHBondContact O-N 3.12Å |
| 57 | C | 85.5 | Confident | 82.3 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 177.5 | -142.1 | 0 | 0 | 0 | 0 | 111 | F36 I53 Q54 R59 Y60 L61 | F36-C57 HydrophobicContact CB-CB 4.32Å; F36-C57 WeakPolarHBondContact CB-SG 3.36Å; I53-C57 WeakPolarHBondContact O-CB 3.08Å; I53-C57 PolarHBondContact O-N 3.02Å; Q54-C57 WeakPolarHBondContact O-CB 3.39Å; Q54-C57 PolarHBondContact O-N 2.86Å; C57-R59 VanDerWaalsContact C-N 3.28Å; C57-R59 PolarHBondContact O-N 2.87Å; C57-Y60 PolarHBondContact O-N 3.2Å; C57-Y60 VanDerWaalsContact O-N 3.11Å; C57-L61 HydrophobicContact CB-CD1 4.42Å; C57-L61 WeakPolarHBondContact O-CD1 3.46Å; C57-L61 PolarHBondContact O-N 3.11Å |
| 58 | A | 82.3 | Confident | 82.6 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 21% | 0.207 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.4 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q54 S56 D62 | Q54-A58 WeakPolarHBondContact O-CB 3.41Å; Q54-A58 PolarHBondContact O-N 3.08Å; S56-A58 VanDerWaalsContact C-N 3.35Å; S56-A58 PolarHBondContact O-N 3.01Å; A58-D62 PolarHBondContact O-N 3.19Å; A58-D62 VanDerWaalsContact O-N 3.1Å |
| 59 | R | 84.1 | Confident | 82.8 | Confident | 156 Ų | 156 | 59 Ų | 59 | 59% | 0.589 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 176.7 | -75.9 | -175.3 | -105.5 | -179 | -7.6 | 112.8 | L55 S56 C57 R63 | L55-R59 PolarHBondContact O-N 2.83Å; L55-R59 PolarHBondContact O-NE 3.45Å; S56-R59 WeakPolarHBondContact O-CB 3.5Å; S56-R59 PolarHBondContact O-N 2.93Å; S56-R59 VanDerWaalsContact O-N 3.16Å; C57-R59 VanDerWaalsContact C-N 3.28Å; C57-R59 PolarHBondContact O-N 2.87Å; R59-R63 PolarHBondContact O-N 3.18Å |
| 60 | Y | 87.2 | Confident | 82.9 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.8 | -32.6 | 179.9 | -59.4 | -49.2 | 0 | 0 | 0 | 112.7 | V10 Y29 F36 S56 C57 R63 A64 | V10-Y60 HydrophobicContact CB-CE1 4.38Å; V10-Y60 HydrophobicContact CB-CE2 4.48Å; V10-Y60 HydrophobicContact CG1-CD1 3.98Å; V10-Y60 HydrophobicContact CG1-CE1 3.31Å; V10-Y60 HydrophobicContact CG1-CE2 4.12Å; V10-Y60 HydrophobicContact CG2-CD1 4.23Å; V10-Y60 HydrophobicContact CG2-CD2 3.74Å; V10-Y60 HydrophobicContact CG2-CE1 4.09Å; V10-Y60 HydrophobicContact CG2-CE2 3.57Å; V10-Y60 HydrophobicContact CG2-CG 4.09Å; Y29-Y60 HydrophobicContact CD1-CD1 4.28Å; Y29-Y60 HydrophobicContact CD1-CG 4.46Å; Y29-Y60 AromaticContact CE1-CD1 3.93Å; Y29-Y60 HydrophobicContact CE1-CD1 3.93Å; F36-Y60 HydrophobicContact CD2-CD2 4.21Å; F36-Y60 AromaticContact CE2-CD2 3.58Å; F36-Y60 HydrophobicContact CE2-CD2 3.58Å; F36-Y60 AromaticContact CE2-CE2 3.62Å; F36-Y60 HydrophobicContact CE2-CE2 3.62Å; F36-Y60 HydrophobicContact CZ-CD2 4.34Å; F36-Y60 AromaticContact CZ-CE2 3.92Å; F36-Y60 HydrophobicContact CZ-CE2 3.92Å; S56-Y60 WeakPolarHBondContact O-CD2 3.46Å; S56-Y60 WeakPolarHBondContact O-CE2 3.37Å; S56-Y60 PolarHBondContact O-N 3.12Å; C57-Y60 PolarHBondContact O-N 3.2Å; C57-Y60 VanDerWaalsContact O-N 3.11Å; Y60-R63 PolarHBondContact O-N 2.88Å; Y60-A64 WeakPolarHBondContact O-CB 3.46Å; Y60-A64 PolarHBondContact O-N 3.48Å |
| 61 | L | 83.1 | Confident | 82.9 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.8 | -48.7 | 173.4 | -81.5 | 127.1 | 0 | 0 | 0 | 112.3 | I33 C57 R63 A64 E65 I106 | I33-L61 HydrophobicContact CB-CD1 4.38Å; I33-L61 HydrophobicContact CD1-CB 4.49Å; I33-L61 HydrophobicContact CD1-CD1 4.07Å; I33-L61 HydrophobicContact CD1-CD2 3.59Å; I33-L61 HydrophobicContact CD1-CG 3.43Å; I33-L61 VanDerWaalsContact CD1-CG 3.43Å; I33-L61 HydrophobicContact CG1-CD1 3.84Å; I33-L61 HydrophobicContact CG1-CD2 4.28Å; I33-L61 HydrophobicContact CG1-CG 3.79Å; I33-L61 HydrophobicContact CG2-CD1 3.62Å; I33-L61 HydrophobicContact CG2-CD2 4.09Å; I33-L61 HydrophobicContact CG2-CG 4.1Å; C57-L61 HydrophobicContact CB-CD1 4.42Å; C57-L61 WeakPolarHBondContact O-CD1 3.46Å; C57-L61 PolarHBondContact O-N 3.11Å; L61-R63 PolarHBondContact O-N 2.89Å; L61-A64 WeakPolarHBondContact O-CB 3.08Å; L61-A64 PolarHBondContact O-N 2.97Å; L61-E65 PolarHBondContact O-N 2.96Å; L61-I106 HydrophobicContact CB-CD1 3.69Å; L61-I106 HydrophobicContact CD1-CB 4.39Å; L61-I106 HydrophobicContact CD1-CD1 3.06Å; L61-I106 HydrophobicContact CD1-CG1 3.45Å; L61-I106 VanDerWaalsContact CD1-CG1 3.45Å; L61-I106 HydrophobicContact CD1-CG2 4.17Å; L61-I106 HydrophobicContact CD2-CD1 3.64Å; L61-I106 HydrophobicContact CD2-CG1 3.75Å; L61-I106 HydrophobicContact CG-CD1 3.51Å; L61-I106 HydrophobicContact CG-CG1 4.03Å |
| 62 | D | 81.9 | Confident | 83 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -53.5 | -43.7 | 173.9 | 176.9 | 57.3 | 0 | 0 | 0 | 111.1 | A58 E65 Q66 | A58-D62 PolarHBondContact O-N 3.19Å; A58-D62 VanDerWaalsContact O-N 3.1Å; D62-E65 PolarHBondContact O-N 3.41Å; D62-Q66 WeakPolarHBondContact O-CG 3.3Å; D62-Q66 PolarHBondContact O-N 2.99Å; D62-Q66 VanDerWaalsContact O-N 3.08Å; D62-Q66 PolarHBondContact OD1-NE2 2.96Å; D62-Q66 PolarHBondContact OD2-NE2 3.12Å |
| 63 | R | 86.1 | Confident | 82.8 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 32% | 0.317 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 176.4 | -173.4 | 56.6 | -178.3 | 165 | 4.8 | 113.2 | D17 Y29 R59 Y60 L61 E65 Q66 I67 | D17-R63 IonicContact OD1-CZ 2.73Å; D17-R63 IonicContact OD1-NE 2.77Å; D17-R63 IonicContact OD1-NH2 3.64Å; D17-R63 PolarHBondContact OD1-NH2 3.12Å; D17-R63 IonicContact OD2-CZ 2.7Å; D17-R63 IonicContact OD2-NE 3.18Å; D17-R63 PolarHBondContact OD2-NE 3.35Å; D17-R63 IonicContact OD2-NH2 2.7Å; D17-R63 PolarHBondContact OD2-NH2 2.72Å; Y29-R63 HydrophobicContact CE2-CG 3.88Å; R59-R63 PolarHBondContact O-N 3.18Å; Y60-R63 PolarHBondContact O-N 2.88Å; L61-R63 PolarHBondContact O-N 2.89Å; R63-E65 VanDerWaalsContact C-N 3.26Å; R63-E65 PolarHBondContact O-N 3.09Å; R63-Q66 PolarHBondContact O-N 3.18Å; R63-I67 HydrophobicContact CG-CD1 4.34Å; R63-I67 WeakPolarHBondContact O-CG1 3.45Å; R63-I67 PolarHBondContact O-N 2.66Å; R63-I67 VanDerWaalsContact O-N 3.1Å |
| 64 | A | 86.8 | Confident | 82.4 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -36.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y29 Y60 L61 I67 K68 | Y29-A64 HydrophobicContact CG-CB 4.43Å; Y60-A64 WeakPolarHBondContact O-CB 3.46Å; Y60-A64 PolarHBondContact O-N 3.48Å; L61-A64 WeakPolarHBondContact O-CB 3.08Å; L61-A64 PolarHBondContact O-N 2.97Å; A64-I67 PolarHBondContact O-N 2.89Å; A64-K68 PolarHBondContact O-N 3.32Å |
| 65 | E | 81.6 | Confident | 81.5 | Confident | 46 Ų | 46 | 60 Ų | 60 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.9 | -41.2 | 176.9 | -69.8 | -164.9 | 156.1 | 0 | 0 | 113.5 | L61 D62 R63 I67 K68 K69 S102 | L61-E65 PolarHBondContact O-N 2.96Å; D62-E65 PolarHBondContact O-N 3.41Å; R63-E65 VanDerWaalsContact C-N 3.26Å; R63-E65 PolarHBondContact O-N 3.09Å; E65-I67 PolarHBondContact O-N 3.29Å; E65-K68 WeakPolarHBondContact O-CB 3.47Å; E65-K68 PolarHBondContact O-N 3.12Å; E65-K68 VanDerWaalsContact O-N 3.08Å; E65-K69 WeakPolarHBondContact O-CG 3.27Å; E65-K69 PolarHBondContact O-N 3.36Å; E65-S102 WeakPolarHBondContact OE1-CB 3.43Å; E65-S102 PolarHBondContact OE1-OG 2.87Å; E65-S102 WeakPolarHBondContact OE2-CB 3.2Å; E65-S102 PolarHBondContact OE2-OG 3.22Å |
| 66 | Q | 84.7 | Confident | 80.3 | Confident | 82 Ų | 82 | 63.9 Ų | 63.9 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.2 | -40.5 | 171.4 | -70.7 | 168.6 | 18.5 | 0 | 0 | 111 | D62 R63 K69 Y70 | D62-Q66 WeakPolarHBondContact O-CG 3.3Å; D62-Q66 PolarHBondContact O-N 2.99Å; D62-Q66 VanDerWaalsContact O-N 3.08Å; D62-Q66 PolarHBondContact OD1-NE2 2.96Å; D62-Q66 PolarHBondContact OD2-NE2 3.12Å; R63-Q66 PolarHBondContact O-N 3.18Å; Q66-K69 PolarHBondContact O-N 3Å; Q66-Y70 WeakPolarHBondContact O-CB 3.48Å; Q66-Y70 PolarHBondContact O-N 3.24Å |
| 67 | I | 85.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 175.4 | -66.5 | 170.8 | 0 | 0 | 0 | 111.2 | Y22 A25 L26 Y29 R63 A64 E65 K69 Y70 M71 | Y22-I67 HydrophobicContact CD1-CG1 4.21Å; Y22-I67 HydrophobicContact CD1-CG2 4.12Å; Y22-I67 HydrophobicContact CG-CG2 4.32Å; Y22-I67 WeakPolarHBondContact O-CG2 3.41Å; A25-I67 HydrophobicContact CB-CD1 4.2Å; L26-I67 HydrophobicContact CB-CG2 4.12Å; L26-I67 HydrophobicContact CD1-CG2 4.19Å; Y29-I67 HydrophobicContact CD2-CD1 3.92Å; Y29-I67 HydrophobicContact CE2-CD1 3.62Å; R63-I67 HydrophobicContact CG-CD1 4.34Å; R63-I67 WeakPolarHBondContact O-CG1 3.45Å; R63-I67 PolarHBondContact O-N 2.66Å; R63-I67 VanDerWaalsContact O-N 3.1Å; A64-I67 PolarHBondContact O-N 2.89Å; E65-I67 PolarHBondContact O-N 3.29Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 2.74Å; I67-Y70 PolarHBondContact O-N 2.95Å; I67-M71 HydrophobicContact CG2-CG 4.33Å; I67-M71 WeakPolarHBondContact O-CB 3.43Å; I67-M71 VanDerWaalsContact O-CG 3.26Å; I67-M71 WeakPolarHBondContact O-CG 3.4Å; I67-M71 PolarHBondContact O-N 3.3Å |
| 68 | K | 84.3 | Confident | 77.6 | Confident | 99 Ų | 99 | 75.4 Ų | 75.4 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55.6 | -47.3 | 174.9 | -78.9 | 179 | -178.7 | 176.9 | 0 | 111.7 | L26 E30 A64 E65 M71 A72 | L26-K68 HydrophobicContact CD1-CB 4.38Å; L26-K68 HydrophobicContact CD1-CD 4.26Å; L26-K68 HydrophobicContact CD1-CG 3.31Å; L26-K68 HydrophobicContact CG-CG 4.34Å; E30-K68 WeakPolarHBondContact OE1-CE 3.21Å; E30-K68 IonicContact OE1-NZ 2.72Å; E30-K68 PolarHBondContact OE1-NZ 3.5Å; A64-K68 PolarHBondContact O-N 3.32Å; E65-K68 WeakPolarHBondContact O-CB 3.47Å; E65-K68 PolarHBondContact O-N 3.12Å; E65-K68 VanDerWaalsContact O-N 3.08Å; K68-M71 PolarHBondContact O-N 3.29Å; K68-A72 WeakPolarHBondContact O-CB 3.37Å; K68-A72 PolarHBondContact O-N 2.65Å |
| 69 | K | 80.5 | Confident | 75.8 | Confident | 61 Ų | 61 | 77.7 Ų | 77.7 | 27% | 0.265 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 178 | -72.5 | -178 | 174.9 | -162.7 | 0 | 111.8 | E65 Q66 I67 M71 A72 S73 D95 D98 | E65-K69 WeakPolarHBondContact O-CG 3.27Å; E65-K69 PolarHBondContact O-N 3.36Å; Q66-K69 PolarHBondContact O-N 3Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 2.74Å; K69-M71 VanDerWaalsContact C-N 3.32Å; K69-M71 PolarHBondContact O-N 3.29Å; K69-A72 PolarHBondContact O-N 2.89Å; K69-S73 PolarHBondContact O-N 3.06Å; K69-S73 PolarHBondContact O-OG 2.99Å; K69-D95 IonicContact NZ-OD1 3.45Å; K69-D95 PolarHBondContact NZ-OD1 3.14Å; K69-D98 WeakPolarHBondContact CE-OD2 3.38Å; K69-D98 VanDerWaalsContact NZ-CB 3.29Å; K69-D98 IonicContact NZ-OD2 3.63Å; K69-D98 PolarHBondContact NZ-OD2 3.32Å |
| 70 | Y | 82.5 | Confident | 73.9 | Confident | 103 Ų | 103 | 76.2 Ų | 76.2 | 40% | 0.404 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 176.8 | 178.5 | -98.2 | 0 | 0 | 0 | 112.2 | Y22 Q66 I67 S73 K74 | Y22-Y70 AromaticContact CD2-CD1 3.85Å; Y22-Y70 HydrophobicContact CD2-CD1 3.85Å; Y22-Y70 AromaticContact CD2-CE1 3.53Å; Y22-Y70 HydrophobicContact CD2-CE1 3.53Å; Y22-Y70 AromaticContact CE2-CD1 3.84Å; Y22-Y70 HydrophobicContact CE2-CD1 3.84Å; Y22-Y70 AromaticContact CE2-CE1 3.24Å; Y22-Y70 HydrophobicContact CE2-CE1 3.24Å; Y22-Y70 AromaticContact CE2-CZ 4Å; Y22-Y70 HydrophobicContact CG-CD1 4.25Å; Y22-Y70 HydrophobicContact CG-CE1 4.37Å; Y22-Y70 AromaticContact CZ-CE1 3.9Å; Q66-Y70 WeakPolarHBondContact O-CB 3.48Å; Q66-Y70 PolarHBondContact O-N 3.24Å; I67-Y70 PolarHBondContact O-N 2.95Å; Y70-S73 WeakPolarHBondContact CA-OG 3.37Å; Y70-S73 PolarHBondContact O-N 3.39Å; Y70-S73 PolarHBondContact O-OG 3.09Å; Y70-K74 HydrophobicContact CE1-CD 4.37Å; Y70-K74 WeakPolarHBondContact O-CB 3.38Å; Y70-K74 PolarHBondContact O-N 3.24Å |
| 71 | M | 79.2 | Confident | 71.9 | Confident | 66 Ų | 66 | 77.3 Ų | 77.3 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.7 | -71.2 | -71.6 | -74.3 | 0 | 0 | 111.8 | E23 I67 K68 K69 K74 S75 | E23-M71 HydrophobicContact CB-CE 4.18Å; I67-M71 HydrophobicContact CG2-CG 4.33Å; I67-M71 WeakPolarHBondContact O-CB 3.43Å; I67-M71 VanDerWaalsContact O-CG 3.26Å; I67-M71 WeakPolarHBondContact O-CG 3.4Å; I67-M71 PolarHBondContact O-N 3.3Å; K68-M71 PolarHBondContact O-N 3.29Å; K69-M71 VanDerWaalsContact C-N 3.32Å; K69-M71 PolarHBondContact O-N 3.29Å; M71-K74 PolarHBondContact O-N 3.26Å; M71-S75 PolarHBondContact O-N 3.37Å; M71-S75 PolarHBondContact O-OG 3.45Å |
| 72 | A | 78.4 | Confident | 70 | Confident | 49 Ų | 49 | 83.9 Ų | 83.9 | 41% | 0.405 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K68 K69 S75 R76 | K68-A72 WeakPolarHBondContact O-CB 3.37Å; K68-A72 PolarHBondContact O-N 2.65Å; K69-A72 PolarHBondContact O-N 2.89Å; A72-S75 WeakPolarHBondContact CA-OG 3.32Å; A72-S75 PolarHBondContact O-OG 3.22Å; A72-R76 WeakPolarHBondContact O-CG 3.41Å; A72-R76 PolarHBondContact O-N 3.39Å; A72-R76 VanDerWaalsContact O-N 3.16Å |
| 73 | S | 77.6 | Confident | 67.7 | Low | 32 Ų | 32 | 84 Ų | 84 | 22% | 0.224 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 173.1 | 56.1 | 0 | 0 | 0 | 0 | 112 | K69 Y70 R76 E77 | K69-S73 PolarHBondContact O-N 3.06Å; K69-S73 PolarHBondContact O-OG 2.99Å; Y70-S73 WeakPolarHBondContact CA-OG 3.37Å; Y70-S73 PolarHBondContact O-N 3.39Å; Y70-S73 PolarHBondContact O-OG 3.09Å; S73-R76 PolarHBondContact O-N 3.06Å; S73-E77 WeakPolarHBondContact O-CG 3.43Å; S73-E77 PolarHBondContact O-N 3.04Å |
| 74 | K | 74.8 | Confident | 65 | Low | 92 Ų | 92 | 84.5 Ų | 84.5 | 40% | 0.4 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.3 | -32.3 | 179.6 | -164.4 | 177.7 | -177 | -177.4 | 0 | 112.4 | Y70 M71 K78 | Y70-K74 HydrophobicContact CE1-CD 4.37Å; Y70-K74 WeakPolarHBondContact O-CB 3.38Å; Y70-K74 PolarHBondContact O-N 3.24Å; M71-K74 PolarHBondContact O-N 3.26Å; K74-K78 PolarHBondContact O-N 3.19Å; K74-K78 VanDerWaalsContact O-N 3.16Å |
| 75 | S | 62.3 | Low | 62.5 | Low | 71 Ų | 71 | 87.7 Ų | 87.7 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 171.2 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | M71 A72 K78 S79 | M71-S75 PolarHBondContact O-N 3.37Å; M71-S75 PolarHBondContact O-OG 3.45Å; A72-S75 WeakPolarHBondContact CA-OG 3.32Å; A72-S75 PolarHBondContact O-OG 3.22Å; S75-K78 PolarHBondContact O-N 3.35Å; S75-S79 PolarHBondContact O-N 3.41Å; S75-S79 PolarHBondContact O-OG 2.91Å |
| 76 | R | 56.8 | Low | 60 | Low | 176 Ų | 176 | 92.4 Ų | 92.4 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 172.7 | -78.5 | -177.4 | 175.2 | 174 | 0.2 | 113.1 | A72 S73 K78 S79 E80 | A72-R76 WeakPolarHBondContact O-CG 3.41Å; A72-R76 PolarHBondContact O-N 3.39Å; A72-R76 VanDerWaalsContact O-N 3.16Å; S73-R76 PolarHBondContact O-N 3.06Å; R76-K78 VanDerWaalsContact C-N 3.33Å; R76-K78 PolarHBondContact O-N 2.85Å; R76-S79 VanDerWaalsContact CA-OG 3.31Å; R76-S79 WeakPolarHBondContact CA-OG 3.15Å; R76-S79 PolarHBondContact O-N 2.76Å; R76-S79 VanDerWaalsContact O-N 3.13Å; R76-S79 PolarHBondContact O-OG 2.8Å; R76-E80 WeakPolarHBondContact O-CB 3.49Å; R76-E80 WeakPolarHBondContact O-CG 3.45Å; R76-E80 PolarHBondContact O-N 2.72Å |
| 77 | E | 55.9 | Low | 57.9 | Low | 111 Ų | 111 | 100 Ų | 100 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.3 | -35 | 176.3 | -77.2 | 175.4 | -178.6 | 0 | 0 | 112.4 | S73 S79 E80 A81 | S73-E77 WeakPolarHBondContact O-CG 3.43Å; S73-E77 PolarHBondContact O-N 3.04Å; E77-S79 VanDerWaalsContact C-N 3.33Å; E77-E80 PolarHBondContact O-N 2.77Å; E77-A81 VanDerWaalsContact O-CB 3.32Å; E77-A81 WeakPolarHBondContact O-CB 3.48Å; E77-A81 PolarHBondContact O-N 2.95Å |
| 78 | K | 52.7 | Low | 55.5 | Low | 161 Ų | 161 | 109.4 Ų | 109.4 | 70% | 0.7 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.7 | -30.9 | 172.8 | -80.6 | -175.7 | 175.8 | -175 | 0 | 113.1 | K74 S75 R76 | K74-K78 PolarHBondContact O-N 3.19Å; K74-K78 VanDerWaalsContact O-N 3.16Å; S75-K78 PolarHBondContact O-N 3.35Å; R76-K78 VanDerWaalsContact C-N 3.33Å; R76-K78 PolarHBondContact O-N 2.85Å |
| 79 | S | 45.3 | Very low | 53.4 | Low | 73 Ų | 73 | 111.3 Ų | 111.3 | 51% | 0.51 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -79.4 | -33.4 | 173 | 44.2 | 0 | 0 | 0 | 0 | 113.3 | S75 R76 E77 | S75-S79 PolarHBondContact O-N 3.41Å; S75-S79 PolarHBondContact O-OG 2.91Å; R76-S79 VanDerWaalsContact CA-OG 3.31Å; R76-S79 WeakPolarHBondContact CA-OG 3.15Å; R76-S79 PolarHBondContact O-N 2.76Å; R76-S79 VanDerWaalsContact O-N 3.13Å; R76-S79 PolarHBondContact O-OG 2.8Å; E77-S79 VanDerWaalsContact C-N 3.33Å |
| 80 | E | 44.8 | Very low | 51.2 | Low | 124 Ų | 124 | 118.7 Ų | 118.7 | 58% | 0.579 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -81.8 | -21.7 | 179.6 | -73.5 | 177.1 | 174.6 | 0 | 0 | 113 | R76 E77 N82 S83 | R76-E80 WeakPolarHBondContact O-CB 3.49Å; R76-E80 WeakPolarHBondContact O-CG 3.45Å; R76-E80 PolarHBondContact O-N 2.72Å; E77-E80 PolarHBondContact O-N 2.77Å; E80-N82 PolarHBondContact O-N 3.1Å; E80-N82 VanDerWaalsContact O-N 3.09Å; E80-S83 CarbonylContact O-C 3.34Å; E80-S83 PolarHBondContact O-N 3.08Å |
| 81 | A | 44.9 | Very low | 49.2 | Very low | 88 Ų | 88 | 119.8 Ų | 119.8 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -10.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E77 | E77-A81 VanDerWaalsContact O-CB 3.32Å; E77-A81 WeakPolarHBondContact O-CB 3.48Å; E77-A81 PolarHBondContact O-N 2.95Å |
| 82 | N | 43 | Very low | 47.6 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 87% | 0.866 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 2 | 172.2 | -115.2 | 11.7 | 0 | 0 | 0 | 113.9 | E80 | E80-N82 PolarHBondContact O-N 3.1Å; E80-N82 VanDerWaalsContact O-N 3.09Å |
| 83 | S | 33.8 | Very low | 46.1 | Very low | 79 Ų | 79 | 127.6 Ų | 127.6 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -148 | 98 | 175.1 | 65.6 | 0 | 0 | 0 | 0 | 110 | E80 G85 | E80-S83 CarbonylContact O-C 3.34Å; E80-S83 PolarHBondContact O-N 3.08Å; S83-G85 PolarHBondContact O-N 3.24Å |
| 84 | G | 28.6 | Very low | 44.6 | Very low | 93 Ų | 93 | 129 Ų | 129 | 96% | 0.959 | 69% | 0.685 | S | S | * | * | trans | -57.4 | 122.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 85 | G | 34.1 | Very low | 43.2 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 69% | 0.689 | S | S | * | * | trans | -174.7 | 95.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S83 | S83-G85 PolarHBondContact O-N 3.24Š| ||
| 86 | T | 30.8 | Very low | 42.4 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 90% | 0.896 | 70% | 0.695 | S | S | * | * | trans | -59.4 | 122.5 | 176.5 | -35.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 87 | R | 40.1 | Very low | 42.2 | Very low | 242 Ų | 242 | 130.1 Ų | 130.1 | 91% | 0.913 | 69% | 0.692 | S | S | * | * | trans | -145.5 | 129.8 | 161.5 | -96.7 | -176.7 | 179 | 166.4 | -0.2 | 113 | ||||
| 88 | E | 35.5 | Very low | 42.1 | Very low | 199 Ų | 199 | 128.2 Ų | 128.2 | 93% | 0.93 | 69% | 0.685 | S | S | * | * | trans | -63.6 | 143.2 | -176.6 | -67.6 | 169.9 | 138.7 | 0 | 0 | 113.7 | ||||
| 89 | K | 39.6 | Very low | 42.2 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 60% | 0.604 | 66% | 0.661 | S | S | * | * | trans | -90.7 | 115.4 | -178 | -77.1 | 174.9 | -176.1 | -171.7 | 0 | 111.9 | R91 | K89-R91 HydrophobicContact CB-CB 4.35Å; K89-R91 HydrophobicContact CB-CG 3.93Å; K89-R91 HydrophobicContact CD-CG 4.21Å; K89-R91 HydrophobicContact CG-CG 4Å | ||
| 90 | K | 35.3 | Very low | 42.9 | Very low | 216 Ų | 216 | 123.2 Ų | 123.2 | 94% | 0.939 | 66% | 0.662 | S | S | * | * | trans | -86.8 | 110.5 | 143.6 | -86.1 | -179.1 | 171.9 | -179.7 | 0 | 106.7 | ||||
| 91 | R | 39.9 | Very low | 43.8 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 48% | 0.475 | 66% | 0.655 | S | S | . | * | trans | -134.3 | 4.6 | -172.9 | -87.3 | -157 | -168.1 | 180 | -1.8 | 118.2 | K89 | K89-R91 HydrophobicContact CB-CB 4.35Å; K89-R91 HydrophobicContact CB-CG 3.93Å; K89-R91 HydrophobicContact CD-CG 4.21Å; K89-R91 HydrophobicContact CG-CG 4Å | ||
| 92 | D | 44.6 | Very low | 44.7 | Very low | 149 Ų | 149 | 117.4 Ų | 117.4 | 80% | 0.797 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -97.5 | -7.1 | -169.6 | -82.9 | -18.3 | 0 | 0 | 0 | 117.8 | ||
| 93 | D | 47.2 | Very low | 45.8 | Very low | 130 Ų | 130 | 116 Ų | 116 | 70% | 0.695 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -100.1 | -31.7 | -179 | -113.4 | -10.8 | 0 | 0 | 0 | 114.3 | D95 | D93-D95 VanDerWaalsContact C-N 3.26Å; D93-D95 PolarHBondContact O-N 2.89Å |
| 94 | S | 46.2 | Very low | 47.5 | Very low | 62 Ų | 62 | 112.9 Ų | 112.9 | 43% | 0.434 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.2 | -24.6 | -178.5 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | D98 | S94-D98 PolarHBondContact O-N 3.19Å |
| 95 | D | 45 | Very low | 49.3 | Very low | 90 Ų | 90 | 114.4 Ų | 114.4 | 48% | 0.481 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -77 | -24.4 | -175.1 | -78 | -23.7 | 0 | 0 | 0 | 113.8 | K69 D93 | K69-D95 IonicContact NZ-OD1 3.45Å; K69-D95 PolarHBondContact NZ-OD1 3.14Å; D93-D95 VanDerWaalsContact C-N 3.26Å; D93-D95 PolarHBondContact O-N 2.89Å |
| 96 | K | 47.3 | Very low | 50.9 | Low | 145 Ų | 145 | 112.3 Ų | 112.3 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -80 | -41 | 174.8 | -69.1 | -179.7 | -177.8 | 170 | 0 | 112.4 | D98 G99 E100 | K96-D98 PolarHBondContact O-N 3.37Å; K96-G99 PolarHBondContact O-N 3.35Å; K96-E100 WeakPolarHBondContact O-CG 3.46Å; K96-E100 PolarHBondContact O-N 2.96Å |
| 97 | E | 51.8 | Low | 52.6 | Low | 126 Ų | 126 | 107.8 Ų | 107.8 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.5 | -39.3 | -178.9 | -72.1 | -171.2 | 154.1 | 0 | 0 | 112.7 | E100 N101 | E97-E100 PolarHBondContact O-N 3.31Å; E97-N101 WeakPolarHBondContact O-CB 3.33Å; E97-N101 PolarHBondContact O-N 3.34Å; E97-N101 PolarHBondContact O-ND2 2.79Å |
| 98 | D | 52.9 | Low | 54 | Low | 71 Ų | 71 | 97 Ų | 97 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | -179.1 | -72 | -27.5 | 0 | 0 | 0 | 112.5 | K69 S94 K96 N101 S102 | K69-D98 WeakPolarHBondContact CE-OD2 3.38Å; K69-D98 VanDerWaalsContact NZ-CB 3.29Å; K69-D98 IonicContact NZ-OD2 3.63Å; K69-D98 PolarHBondContact NZ-OD2 3.32Å; S94-D98 PolarHBondContact O-N 3.19Å; K96-D98 PolarHBondContact O-N 3.37Å; D98-N101 PolarHBondContact O-N 2.84Å; D98-S102 PolarHBondContact O-N 3.04Å |
| 99 | G | 55.5 | Low | 55.7 | Low | 19 Ų | 19 | 92.1 Ų | 92.1 | 20% | 0.196 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K96 R103 | K96-G99 PolarHBondContact O-N 3.35Å; G99-R103 WeakPolarHBondContact O-CB 3.38Å; G99-R103 PolarHBondContact O-N 3.45Å |
| 100 | E | 60.1 | Low | 57.1 | Low | 111 Ų | 111 | 87.5 Ų | 87.5 | 52% | 0.519 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 171 | -75.2 | -174.8 | -178.3 | 0 | 0 | 111.6 | K96 E97 S102 R103 F104 | K96-E100 WeakPolarHBondContact O-CG 3.46Å; K96-E100 PolarHBondContact O-N 2.96Å; E97-E100 PolarHBondContact O-N 3.31Å; E100-S102 PolarHBondContact O-N 3.48Å; E100-R103 PolarHBondContact O-N 2.85Å; E100-F104 VanDerWaalsContact O-CB 3.22Å; E100-F104 WeakPolarHBondContact O-CB 3.45Å; E100-F104 PolarHBondContact O-N 3.32Å |
| 101 | N | 63 | Low | 59.1 | Low | 81 Ų | 81 | 77.6 Ų | 77.6 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 178 | -74.7 | -27.2 | 0 | 0 | 0 | 112.4 | E97 D98 F104 Q105 | E97-N101 WeakPolarHBondContact O-CB 3.33Å; E97-N101 PolarHBondContact O-N 3.34Å; E97-N101 PolarHBondContact O-ND2 2.79Å; D98-N101 PolarHBondContact O-N 2.84Å; N101-F104 PolarHBondContact O-N 3.03Å; N101-Q105 WeakPolarHBondContact O-CG 3.48Å; N101-Q105 PolarHBondContact O-N 3.45Å |
| 102 | S | 64.7 | Low | 61.3 | Low | 8 Ų | 8 | 71.7 Ų | 71.7 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.2 | -49.3 | 176.5 | -161.9 | 0 | 0 | 0 | 0 | 112.6 | E65 D98 E100 F104 Q105 I106 | E65-S102 WeakPolarHBondContact OE1-CB 3.43Å; E65-S102 PolarHBondContact OE1-OG 2.87Å; E65-S102 WeakPolarHBondContact OE2-CB 3.2Å; E65-S102 PolarHBondContact OE2-OG 3.22Å; D98-S102 PolarHBondContact O-N 3.04Å; E100-S102 PolarHBondContact O-N 3.48Å; S102-F104 PolarHBondContact O-N 2.9Å; S102-Q105 WeakPolarHBondContact O-CB 3.15Å; S102-Q105 PolarHBondContact O-N 3.34Å; S102-I106 WeakPolarHBondContact O-CD1 3.38Å; S102-I106 WeakPolarHBondContact O-CG1 3.39Å; S102-I106 PolarHBondContact O-N 2.69Å |
| 103 | R | 66.5 | Low | 63.3 | Low | 132 Ų | 132 | 67.8 Ų | 67.8 | 50% | 0.498 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -51.7 | -48.6 | 175.6 | -170.3 | -179.5 | 176.2 | 174.1 | -1.7 | 109.2 | G99 E100 Q105 I106 Q107 | G99-R103 WeakPolarHBondContact O-CB 3.38Å; G99-R103 PolarHBondContact O-N 3.45Å; E100-R103 PolarHBondContact O-N 2.85Å; R103-Q105 PolarHBondContact O-N 2.91Å; R103-I106 PolarHBondContact O-N 2.9Å; R103-Q107 WeakPolarHBondContact O-CB 3.45Å; R103-Q107 WeakPolarHBondContact O-CG 3.5Å; R103-Q107 PolarHBondContact O-N 2.82Å; R103-Q107 VanDerWaalsContact O-N 3.16Å; R103-Q107 PolarHBondContact O-OE1 3.05Å |
| 104 | F | 68.1 | Low | 65.4 | Low | 15 Ų | 15 | 64.7 Ų | 64.7 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 178.4 | -175 | -107.6 | 0 | 0 | 0 | 113.7 | E100 N101 S102 Q107 L108 E199 K202 L203 S206 | E100-F104 VanDerWaalsContact O-CB 3.22Å; E100-F104 WeakPolarHBondContact O-CB 3.45Å; E100-F104 PolarHBondContact O-N 3.32Å; N101-F104 PolarHBondContact O-N 3.03Å; S102-F104 PolarHBondContact O-N 2.9Å; F104-Q107 VanDerWaalsContact O-CB 3.25Å; F104-Q107 WeakPolarHBondContact O-CB 3.34Å; F104-Q107 PolarHBondContact O-N 3.03Å; F104-L108 HydrophobicContact CD1-CD1 3.66Å; F104-L108 HydrophobicContact CD1-CG 4.21Å; F104-L108 HydrophobicContact CE1-CD1 3.38Å; F104-L108 HydrophobicContact CE1-CD2 4.27Å; F104-L108 HydrophobicContact CE1-CG 3.84Å; F104-L108 HydrophobicContact CE2-CG 4.49Å; F104-L108 HydrophobicContact CZ-CD1 4Å; F104-L108 HydrophobicContact CZ-CD2 4.09Å; F104-L108 HydrophobicContact CZ-CG 3.94Å; F104-L108 WeakPolarHBondContact O-CB 3.42Å; F104-L108 VanDerWaalsContact O-CG 3.24Å; F104-L108 WeakPolarHBondContact O-CG 3.28Å; F104-L108 PolarHBondContact O-N 3.07Å; F104-E199 HydrophobicContact CE2-CB 4.35Å; F104-K202 HydrophobicContact CE1-CB 3.96Å; F104-K202 HydrophobicContact CE2-CB 3.82Å; F104-K202 VanDerWaalsContact CZ-C 3.43Å; F104-K202 HydrophobicContact CZ-CB 3.41Å; F104-K202 VanDerWaalsContact CZ-CB 3.41Å; F104-L203 HydrophobicContact CE2-CB 4.35Å; F104-L203 HydrophobicContact CZ-CB 4.3Å; F104-S206 WeakPolarHBondContact CE1-OG 3.42Å |
| 105 | Q | 67.5 | Low | 67.5 | Low | 124 Ų | 124 | 64.5 Ų | 64.5 | 58% | 0.579 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.7 | -40.9 | 175.3 | -78.4 | -171.9 | 7.8 | 0 | 0 | 114 | N101 S102 R103 Q107 L108 Q109 | N101-Q105 WeakPolarHBondContact O-CG 3.48Å; N101-Q105 PolarHBondContact O-N 3.45Å; S102-Q105 WeakPolarHBondContact O-CB 3.15Å; S102-Q105 PolarHBondContact O-N 3.34Å; R103-Q105 PolarHBondContact O-N 2.91Å; Q105-Q107 VanDerWaalsContact C-N 3.27Å; Q105-Q107 PolarHBondContact O-N 3.37Å; Q105-L108 WeakPolarHBondContact O-CB 3.36Å; Q105-L108 PolarHBondContact O-N 2.99Å; Q105-Q109 WeakPolarHBondContact O-CG 3.44Å; Q105-Q109 PolarHBondContact O-N 3.27Å |
| 106 | I | 67.1 | Low | 69.6 | Low | 28 Ų | 28 | 66.5 Ų | 66.5 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 178.2 | -54.7 | 138.5 | 0 | 0 | 0 | 110 | I37 L61 S102 R103 L108 Q109 G110 | I37-I106 HydrophobicContact CD1-CG2 4.45Å; L61-I106 HydrophobicContact CB-CD1 3.69Å; L61-I106 HydrophobicContact CD1-CB 4.39Å; L61-I106 HydrophobicContact CD1-CD1 3.06Å; L61-I106 HydrophobicContact CD1-CG1 3.45Å; L61-I106 VanDerWaalsContact CD1-CG1 3.45Å; L61-I106 HydrophobicContact CD1-CG2 4.17Å; L61-I106 HydrophobicContact CD2-CD1 3.64Å; L61-I106 HydrophobicContact CD2-CG1 3.75Å; L61-I106 HydrophobicContact CG-CD1 3.51Å; L61-I106 HydrophobicContact CG-CG1 4.03Å; S102-I106 WeakPolarHBondContact O-CD1 3.38Å; S102-I106 WeakPolarHBondContact O-CG1 3.39Å; S102-I106 PolarHBondContact O-N 2.69Å; R103-I106 PolarHBondContact O-N 2.9Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-Q109 WeakPolarHBondContact O-CB 3.45Å; I106-Q109 PolarHBondContact O-N 3.46Å; I106-Q109 VanDerWaalsContact O-N 3.17Å; I106-G110 PolarHBondContact O-N 3.31Å |
| 107 | Q | 66.3 | Low | 71.7 | Confident | 50 Ų | 50 | 60.1 Ų | 60.1 | 23% | 0.234 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 174.3 | -89.2 | -171.3 | -35.6 | 0 | 0 | 111.7 | R103 F104 Q105 G110 A111 W196 | R103-Q107 WeakPolarHBondContact O-CB 3.45Å; R103-Q107 WeakPolarHBondContact O-CG 3.5Å; R103-Q107 PolarHBondContact O-N 2.82Å; R103-Q107 VanDerWaalsContact O-N 3.16Å; R103-Q107 PolarHBondContact O-OE1 3.05Å; F104-Q107 VanDerWaalsContact O-CB 3.25Å; F104-Q107 WeakPolarHBondContact O-CB 3.34Å; F104-Q107 PolarHBondContact O-N 3.03Å; Q105-Q107 VanDerWaalsContact C-N 3.27Å; Q105-Q107 PolarHBondContact O-N 3.37Å; Q107-G110 PolarHBondContact O-N 3.11Å; Q107-A111 PolarHBondContact O-N 3.25Å; Q107-A111 VanDerWaalsContact O-N 3.12Å; Q107-W196 HydrophobicContact CB-CH2 3.03Å; Q107-W196 HydrophobicContact CB-CZ2 4.14Å; Q107-W196 HydrophobicContact CB-CZ3 3.36Å; Q107-W196 HydrophobicContact CG-CH2 3.3Å; Q107-W196 HydrophobicContact CG-CZ3 3.56Å |
| 108 | L | 70.3 | Confident | 73.6 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 169.2 | -81.4 | 164.6 | 0 | 0 | 0 | 112.4 | F104 Q105 I106 G110 A111 I112 L203 S206 | F104-L108 HydrophobicContact CD1-CD1 3.66Å; F104-L108 HydrophobicContact CD1-CG 4.21Å; F104-L108 HydrophobicContact CE1-CD1 3.38Å; F104-L108 HydrophobicContact CE1-CD2 4.27Å; F104-L108 HydrophobicContact CE1-CG 3.84Å; F104-L108 HydrophobicContact CE2-CG 4.49Å; F104-L108 HydrophobicContact CZ-CD1 4Å; F104-L108 HydrophobicContact CZ-CD2 4.09Å; F104-L108 HydrophobicContact CZ-CG 3.94Å; F104-L108 WeakPolarHBondContact O-CB 3.42Å; F104-L108 VanDerWaalsContact O-CG 3.24Å; F104-L108 WeakPolarHBondContact O-CG 3.28Å; F104-L108 PolarHBondContact O-N 3.07Å; Q105-L108 WeakPolarHBondContact O-CB 3.36Å; Q105-L108 PolarHBondContact O-N 2.99Å; I106-L108 VanDerWaalsContact C-N 3.34Å; L108-G110 PolarHBondContact O-N 3.07Å; L108-A111 PolarHBondContact O-N 3Å; L108-I112 HydrophobicContact CD2-CD1 3.71Å; L108-I112 PolarHBondContact O-N 2.88Å; L108-L203 HydrophobicContact CD2-CD1 3.2Å; L108-L203 HydrophobicContact CG-CD1 4.18Å; L108-S206 VanDerWaalsContact CD2-CB 3.41Å |
| 109 | Q | 69.7 | Low | 75.6 | Confident | 97 Ų | 97 | 58.6 Ų | 58.6 | 45% | 0.453 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.6 | -21.2 | -179.7 | -70.5 | 178.4 | 3.7 | 0 | 0 | 114.1 | K41 Q105 I106 | K41-Q109 VanDerWaalsContact CE-O 3.3Å; K41-Q109 WeakPolarHBondContact CE-O 3.28Å; K41-Q109 PolarHBondContact NZ-O 2.77Å; Q105-Q109 WeakPolarHBondContact O-CG 3.44Å; Q105-Q109 PolarHBondContact O-N 3.27Å; I106-Q109 WeakPolarHBondContact O-CB 3.45Å; I106-Q109 PolarHBondContact O-N 3.46Å; I106-Q109 VanDerWaalsContact O-N 3.17Å |
| 110 | G | 70.8 | Confident | 77.4 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 43% | 0.433 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -85.4 | -32.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I106 Q107 L108 | I106-G110 PolarHBondContact O-N 3.31Å; Q107-G110 PolarHBondContact O-N 3.11Å; L108-G110 PolarHBondContact O-N 3.07Å |
| 111 | A | 77.5 | Confident | 79 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -88.3 | -33.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q107 L108 W196 L203 | Q107-A111 PolarHBondContact O-N 3.25Å; Q107-A111 VanDerWaalsContact O-N 3.12Å; L108-A111 PolarHBondContact O-N 3Å; A111-W196 HydrophobicContact CB-CZ2 4.06Å; A111-L203 HydrophobicContact CB-CD1 4.25Å; A111-L203 HydrophobicContact CB-CD2 4.16Å |
| 112 | I | 84.4 | Confident | 80.5 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | trans | -103.2 | 118.1 | -178.9 | -56.5 | 171.7 | 0 | 0 | 0 | 108.5 | L108 L185 L203 L207 M210 | L108-I112 HydrophobicContact CD2-CD1 3.71Å; L108-I112 PolarHBondContact O-N 2.88Å; I112-L185 HydrophobicContact CG2-CB 4.37Å; I112-L185 HydrophobicContact CG2-CD2 3.98Å; I112-L203 HydrophobicContact CD1-CD1 4.06Å; I112-L203 HydrophobicContact CG1-CD1 4.26Å; I112-L207 HydrophobicContact CD1-CB 3.83Å; I112-L207 HydrophobicContact CD1-CD1 3.81Å; I112-L207 HydrophobicContact CD1-CG 4.43Å; I112-L207 HydrophobicContact CG1-CD1 4.07Å; I112-L207 HydrophobicContact CG2-CD1 3.87Å; I112-M210 HydrophobicContact CD1-SD 3.89Å; I112-M210 HydrophobicContact CG2-CE 4.49Å | ||
| 113 | V | 87.5 | Confident | 81.9 | Confident | 67 Ų | 67 | 61.4 Ų | 61.4 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 111.9 | 172.4 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | S186 | V113-S186 WeakPolarHBondContact CB-OG 3.32Å; V113-S186 PolarHBondContact N-O 3.12Å; V113-S186 PolarHBondContact O-N 3.32Å; V113-S186 PolarHBondContact O-OG 3.09Å |
| 114 | T | 90.5 | Very high | 83.3 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 118.2 | 173.1 | -50.1 | 0 | 0 | 0 | 0 | 109.5 | T183 F184 L185 | T114-T183 HydrophobicContact CG2-CG2 3.53Å; T114-F184 WeakPolarHBondContact CA-O 3.45Å; T114-L185 HydrophobicContact CG2-CD2 3.66Å; T114-L185 WeakPolarHBondContact OG1-CD2 3.34Å |
| 115 | E | 90.8 | Very high | 84.6 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 164 | 177.3 | 61.6 | -179.1 | 172.1 | 0 | 0 | 112 | K173 F184 | E115-K173 WeakPolarHBondContact OE1-CE 3.4Å; E115-K173 IonicContact OE1-NZ 3.86Å; E115-K173 PolarHBondContact OE1-NZ 3.18Å; E115-K173 IonicContact OE2-NZ 3.49Å; E115-F184 HydrophobicContact CG-CB 4.22Å; E115-F184 HydrophobicContact CG-CD1 3.96Å; E115-F184 PolarHBondContact N-O 3.16Å; E115-F184 WeakPolarHBondContact O-CB 3.43Å; E115-F184 PolarHBondContact O-N 2.82Å |
| 116 | K | 90.3 | Very high | 85.8 | Confident | 132 Ų | 132 | 51.2 Ų | 51.2 | 57% | 0.574 | 28% | 0.28 | S | S | * | . | trans | -115.9 | 94.6 | 164.5 | -72.6 | -168.1 | 176.1 | -167.6 | 0 | 107.2 | ||||
| 117 | P | 90.5 | Very high | 87.1 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | trans | -65 | 154.1 | -177.9 | 27.1 | -32.2 | 0 | 0 | 0 | 110.2 | K173 A176 T177 F184 | P117-K173 HydrophobicContact CB-CB 3.85Å; P117-K173 HydrophobicContact CB-CG 4.32Å; P117-K173 HydrophobicContact CG-CB 4.04Å; P117-K173 VanDerWaalsContact CG-O 3.28Å; P117-K173 WeakPolarHBondContact CG-O 3.48Å; P117-A176 HydrophobicContact CG-CB 3.73Å; P117-T177 PolarHBondContact O-OG1 3.2Å; P117-F184 HydrophobicContact CG-CB 4.3Å | ||
| 118 | N | 92.4 | Very high | 88.5 | Confident | 143 Ų | 143 | 53.3 Ų | 53.3 | 77% | 0.765 | 29% | 0.29 | S | S | * | . | trans | -122.6 | 62.3 | 173.7 | -172.6 | 40.9 | 0 | 0 | 0 | 108.9 | ||||
| 119 | I | 93.5 | Very high | 89.5 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 11% | 0.113 | 31% | 0.305 | C | S | . | . | trans | -119.6 | 116.8 | 179.7 | -64.3 | 166.1 | 0 | 0 | 0 | 106.2 | D123 V124 Y170 K173 A174 T177 | I119-D123 HydrophobicContact CG2-CB 3.96Å; I119-V124 HydrophobicContact CG2-CG2 4.39Å; I119-Y170 HydrophobicContact CD1-CD2 3.83Å; I119-Y170 HydrophobicContact CD1-CE2 3.47Å; I119-Y170 VanDerWaalsContact CD1-CE2 3.47Å; I119-Y170 HydrophobicContact CG1-CE2 4.13Å; I119-Y170 HydrophobicContact CG2-CD1 4.33Å; I119-Y170 HydrophobicContact CG2-CE1 3.69Å; I119-Y170 HydrophobicContact CG2-CE2 4.25Å; I119-K173 HydrophobicContact CD1-CB 3.73Å; I119-K173 HydrophobicContact CD1-CD 3.95Å; I119-K173 HydrophobicContact CD1-CG 4.5Å; I119-A174 HydrophobicContact CB-CB 4.46Å; I119-A174 HydrophobicContact CG2-CB 3.84Å; I119-A174 VanDerWaalsContact O-CA 3.28Å; I119-A174 WeakPolarHBondContact O-CA 3.41Å; I119-T177 PolarHBondContact N-OG1 2.8Å; I119-T177 WeakPolarHBondContact O-CB 3.36Å; I119-T177 WeakPolarHBondContact O-CG2 3.29Å; I119-T177 PolarHBondContact O-OG1 2.81Å | ||
| 120 | S | 93.7 | Very high | 90.7 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | trans | -84.9 | 170.5 | 178.4 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | D122 D123 | S120-D122 PolarHBondContact O-N 2.83Å; S120-D122 PolarHBondContact OG-N 3.46Å; S120-D123 WeakPolarHBondContact CB-OD2 3.3Å; S120-D123 PolarHBondContact N-OD2 3.4Å; S120-D123 PolarHBondContact O-N 2.67Å; S120-D123 VanDerWaalsContact OG-CG 3.32Å; S120-D123 PolarHBondContact OG-N 3.37Å; S120-D123 PolarHBondContact OG-OD2 3.09Å | ||
| 121 | W | 94.3 | Very high | 91.9 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.5 | 169 | -68.8 | 120 | 0 | 0 | 0 | 113.8 | V124 K131 L134 K135 I139 L171 A174 V175 E178 | W121-V124 PolarHBondContact O-N 2.89Å; W121-K131 HydrophobicContact CE3-CB 4.26Å; W121-K131 HydrophobicContact CE3-CD 4.07Å; W121-K131 HydrophobicContact CE3-CG 3.76Å; W121-K131 HydrophobicContact CZ3-CB 4.34Å; W121-K131 HydrophobicContact CZ3-CG 3.96Å; W121-K131 WeakPolarHBondContact O-CE 3.49Å; W121-K131 PolarHBondContact O-NZ 3.01Å; W121-L134 HydrophobicContact CH2-CB 3.94Å; W121-L134 HydrophobicContact CH2-CD1 4.36Å; W121-K135 HydrophobicContact CZ2-CG 4.03Å; W121-I139 HydrophobicContact CZ2-CG1 4.3Å; W121-L171 HydrophobicContact CE3-CD1 4.44Å; W121-L171 HydrophobicContact CZ3-CD1 3.75Å; W121-A174 HydrophobicContact CE3-CB 4.34Å; W121-A174 HydrophobicContact CZ3-CB 4.37Å; W121-V175 HydrophobicContact CH2-CB 4.43Å; W121-V175 HydrophobicContact CH2-CG2 3.62Å; W121-V175 HydrophobicContact CZ2-CG2 4.5Å; W121-V175 HydrophobicContact CZ3-CG2 4.28Å; W121-E178 VanDerWaalsContact CD1-CG 3.47Å; W121-E178 VanDerWaalsContact CD1-OE2 3.26Å; W121-E178 HydrophobicContact CD2-CG 4.05Å; W121-E178 HydrophobicContact CG-CG 4Å; W121-E178 HydrophobicContact CZ2-CB 4.04Å; W121-E178 HydrophobicContact CZ2-CG 4.18Å; W121-E178 PolarHBondContact N-OE1 3.3Å; W121-E178 PolarHBondContact NE1-OE2 3.16Å |
| 122 | D | 94.3 | Very high | 92.7 | Very high | 148 Ų | 148 | 54.1 Ų | 54.1 | 79% | 0.791 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -25.5 | -176.3 | -65.4 | -25.8 | 0 | 0 | 0 | 112 | S120 V124 | S120-D122 PolarHBondContact O-N 2.83Å; S120-D122 PolarHBondContact OG-N 3.46Å; D122-V124 PolarHBondContact O-N 3.42Å |
| 123 | D | 93.9 | Very high | 93.2 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -20.5 | 174.9 | -60.4 | -53.7 | 0 | 0 | 0 | 112.4 | I119 S120 Y170 | I119-D123 HydrophobicContact CG2-CB 3.96Å; S120-D123 WeakPolarHBondContact CB-OD2 3.3Å; S120-D123 PolarHBondContact N-OD2 3.4Å; S120-D123 PolarHBondContact O-N 2.67Å; S120-D123 VanDerWaalsContact OG-CG 3.32Å; S120-D123 PolarHBondContact OG-N 3.37Å; S120-D123 PolarHBondContact OG-OD2 3.09Å; D123-Y170 HydrophobicContact CB-CE1 4.47Å |
| 124 | V | 95.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -87.9 | 112.5 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | I119 W121 D122 G126 L127 K131 Y170 L171 A174 | I119-V124 HydrophobicContact CG2-CG2 4.39Å; W121-V124 PolarHBondContact O-N 2.89Å; D122-V124 PolarHBondContact O-N 3.42Å; V124-G126 PolarHBondContact O-N 3.4Å; V124-L127 HydrophobicContact CG1-CD1 4.25Å; V124-K131 WeakPolarHBondContact O-CE 3.38Å; V124-K131 PolarHBondContact O-NZ 3.41Å; V124-Y170 HydrophobicContact CG2-CD1 3.93Å; V124-Y170 HydrophobicContact CG2-CE1 3.98Å; V124-L171 HydrophobicContact CG1-CD1 4.09Å; V124-L171 HydrophobicContact CG2-CD1 4.49Å; V124-A174 HydrophobicContact CG2-CB 3.7Å |
| 125 | I | 95.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 52 Ų | 52 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | trans | -76.3 | 126.9 | 179 | -60 | 169.7 | 0 | 0 | 0 | 109.9 | E293 M297 T300 | I125-E293 HydrophobicContact CG2-CB 4.13Å; I125-E293 WeakPolarHBondContact CG2-O 3.31Å; I125-M297 HydrophobicContact CB-CE 4.25Å; I125-M297 HydrophobicContact CB-CG 4.23Å; I125-M297 HydrophobicContact CD1-CB 4.35Å; I125-M297 HydrophobicContact CD1-CG 3.81Å; I125-M297 HydrophobicContact CG2-CE 4.28Å; I125-M297 HydrophobicContact CG2-CG 4.05Å; I125-T300 HydrophobicContact CD1-CG2 4.31Å | ||
| 126 | G | 94.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 78.4 | -149.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115 | V124 Q128 K131 E293 | V124-G126 PolarHBondContact O-N 3.4Å; G126-Q128 PolarHBondContact O-N 2.88Å; G126-K131 WeakPolarHBondContact O-CE 3.49Å; G126-K131 PolarHBondContact O-NZ 3.06Å; G126-E293 VanDerWaalsContact CA-CD 3.42Å; G126-E293 WeakPolarHBondContact CA-OE1 3.29Å |
| 127 | L | 94.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | trans | 59.5 | 36.5 | 172.2 | -57.4 | 178.6 | 0 | 0 | 0 | 114.4 | V124 S129 A130 K131 L171 I286 P287 E293 | V124-L127 HydrophobicContact CG1-CD1 4.25Å; L127-S129 PolarHBondContact O-N 3.24Å; L127-A130 HydrophobicContact CB-CB 4.27Å; L127-A130 PolarHBondContact O-N 3.35Å; L127-A130 VanDerWaalsContact O-N 3.14Å; L127-K131 WeakPolarHBondContact O-CG 3.27Å; L127-K131 PolarHBondContact O-N 2.79Å; L127-L171 HydrophobicContact CD1-CD2 4.39Å; L127-I286 HydrophobicContact CD1-CG2 3.85Å; L127-I286 HydrophobicContact CD2-CG2 3.8Å; L127-P287 HydrophobicContact CD2-CG 4.13Å; L127-E293 PolarHBondContact N-OE1 3.41Å | ||
| 128 | Q | 94.1 | Very high | 94 | Very high | 109 Ų | 109 | 47.6 Ų | 47.6 | 51% | 0.509 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58 | -46.2 | -172.5 | -62.4 | -60.7 | -9.4 | 0 | 0 | 113.1 | G126 A130 K131 E132 | G126-Q128 PolarHBondContact O-N 2.88Å; Q128-A130 VanDerWaalsContact C-N 3.33Å; Q128-A130 PolarHBondContact O-N 2.83Å; Q128-K131 WeakPolarHBondContact O-CB 3.42Å; Q128-K131 PolarHBondContact O-N 2.85Å; Q128-E132 WeakPolarHBondContact O-CB 2.82Å; Q128-E132 WeakPolarHBondContact O-CG 3.31Å; Q128-E132 PolarHBondContact O-N 2.82Å |
| 129 | S | 92.4 | Very high | 94 | Very high | 58 Ų | 58 | 42.5 Ų | 42.5 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 177.3 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | L127 E132 A133 | L127-S129 PolarHBondContact O-N 3.24Å; S129-E132 PolarHBondContact O-N 3.09Å; S129-A133 WeakPolarHBondContact O-CB 3.43Å; S129-A133 PolarHBondContact O-N 3.01Å |
| 130 | A | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.9 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L127 Q128 A133 L134 L171 I284 I286 | L127-A130 HydrophobicContact CB-CB 4.27Å; L127-A130 PolarHBondContact O-N 3.35Å; L127-A130 VanDerWaalsContact O-N 3.14Å; Q128-A130 VanDerWaalsContact C-N 3.33Å; Q128-A130 PolarHBondContact O-N 2.83Å; A130-A133 PolarHBondContact O-N 3.32Å; A130-L134 WeakPolarHBondContact O-CB 3.2Å; A130-L134 VanDerWaalsContact O-CG 3.3Å; A130-L134 WeakPolarHBondContact O-CG 3.39Å; A130-L134 PolarHBondContact O-N 2.99Å; A130-L171 HydrophobicContact CB-CD2 4.35Å; A130-I284 HydrophobicContact CB-CG2 3.63Å; A130-I286 HydrophobicContact CB-CD1 3.51Å |
| 131 | K | 95.7 | Very high | 93.8 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -43 | 174.1 | -70.3 | 179.6 | -176.3 | 179.3 | 0 | 111.5 | W121 V124 G126 L127 Q128 L134 K135 L171 | W121-K131 HydrophobicContact CE3-CB 4.26Å; W121-K131 HydrophobicContact CE3-CD 4.07Å; W121-K131 HydrophobicContact CE3-CG 3.76Å; W121-K131 HydrophobicContact CZ3-CB 4.34Å; W121-K131 HydrophobicContact CZ3-CG 3.96Å; W121-K131 WeakPolarHBondContact O-CE 3.49Å; W121-K131 PolarHBondContact O-NZ 3.01Å; V124-K131 WeakPolarHBondContact O-CE 3.38Å; V124-K131 PolarHBondContact O-NZ 3.41Å; G126-K131 WeakPolarHBondContact O-CE 3.49Å; G126-K131 PolarHBondContact O-NZ 3.06Å; L127-K131 WeakPolarHBondContact O-CG 3.27Å; L127-K131 PolarHBondContact O-N 2.79Å; Q128-K131 WeakPolarHBondContact O-CB 3.42Å; Q128-K131 PolarHBondContact O-N 2.85Å; K131-L134 PolarHBondContact O-N 3.18Å; K131-K135 WeakPolarHBondContact O-CB 3.3Å; K131-K135 VanDerWaalsContact O-CG 3.24Å; K131-K135 WeakPolarHBondContact O-CG 3.33Å; K131-K135 PolarHBondContact O-N 3.49Å; K131-L171 HydrophobicContact CG-CD1 4.21Å |
| 132 | E | 95.5 | Very high | 93.6 | Very high | 112 Ų | 112 | 45.9 Ų | 45.9 | 52% | 0.523 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 176.8 | -75.1 | 173.2 | 176.6 | 0 | 0 | 111.2 | Q128 S129 L134 K135 E136 | Q128-E132 WeakPolarHBondContact O-CB 2.82Å; Q128-E132 WeakPolarHBondContact O-CG 3.31Å; Q128-E132 PolarHBondContact O-N 2.82Å; S129-E132 PolarHBondContact O-N 3.09Å; E132-L134 VanDerWaalsContact C-N 3.28Å; E132-L134 PolarHBondContact O-N 2.97Å; E132-K135 PolarHBondContact O-N 3.05Å; E132-E136 WeakPolarHBondContact O-CB 2.97Å; E132-E136 PolarHBondContact O-N 3.35Å |
| 133 | A | 93.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S129 A130 A137 I284 | S129-A133 WeakPolarHBondContact O-CB 3.43Å; S129-A133 PolarHBondContact O-N 3.01Å; A130-A133 PolarHBondContact O-N 3.32Å; A133-A137 WeakPolarHBondContact O-CB 3.01Å; A133-A137 PolarHBondContact O-N 3.43Å; A133-I284 HydrophobicContact CB-CD1 3.78Å; A133-I284 HydrophobicContact CB-CG1 4.18Å |
| 134 | L | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.4 | -38.9 | 175.4 | -75.4 | 165.9 | 0 | 0 | 0 | 112.8 | W121 A130 K131 E132 E136 A137 V138 I158 L160 L171 V175 I284 | W121-L134 HydrophobicContact CH2-CB 3.94Å; W121-L134 HydrophobicContact CH2-CD1 4.36Å; A130-L134 WeakPolarHBondContact O-CB 3.2Å; A130-L134 VanDerWaalsContact O-CG 3.3Å; A130-L134 WeakPolarHBondContact O-CG 3.39Å; A130-L134 PolarHBondContact O-N 2.99Å; K131-L134 PolarHBondContact O-N 3.18Å; E132-L134 VanDerWaalsContact C-N 3.28Å; E132-L134 PolarHBondContact O-N 2.97Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-A137 PolarHBondContact O-N 3.12Å; L134-V138 WeakPolarHBondContact O-CB 3.24Å; L134-V138 PolarHBondContact O-N 3.27Å; L134-I158 HydrophobicContact CD2-CD1 4.22Å; L134-I158 HydrophobicContact CD2-CG2 4.26Å; L134-L160 HydrophobicContact CD1-CD2 4.43Å; L134-L160 HydrophobicContact CD2-CD2 4.31Å; L134-L171 HydrophobicContact CD1-CD1 3.98Å; L134-L171 HydrophobicContact CD1-CD2 3.58Å; L134-L171 HydrophobicContact CD1-CG 3.63Å; L134-V175 HydrophobicContact CB-CG2 4.21Å; L134-V175 HydrophobicContact CD1-CG2 3.68Å; L134-V175 HydrophobicContact CD2-CG2 3.92Å; L134-V175 HydrophobicContact CG-CG2 4.15Å; L134-I284 HydrophobicContact CD2-CD1 3.76Å; L134-I284 HydrophobicContact CG-CD1 3.72Å |
| 135 | K | 94.5 | Very high | 93.1 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 37% | 0.37 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -60.4 | -45 | 173.7 | -77.6 | 171.8 | -179 | 178.3 | 0 | 110.7 | W121 K131 E132 I139 L140 | W121-K135 HydrophobicContact CZ2-CG 4.03Å; K131-K135 WeakPolarHBondContact O-CB 3.3Å; K131-K135 VanDerWaalsContact O-CG 3.24Å; K131-K135 WeakPolarHBondContact O-CG 3.33Å; K131-K135 PolarHBondContact O-N 3.49Å; E132-K135 PolarHBondContact O-N 3.05Å; K135-I139 HydrophobicContact CG-CG1 4.38Å; K135-I139 CarbonylContact O-C 3.56Å; K135-I139 WeakPolarHBondContact O-CA 3.41Å; K135-I139 WeakPolarHBondContact O-CB 3.36Å; K135-I139 PolarHBondContact O-N 3.32Å; K135-L140 PolarHBondContact O-N 3.45Å |
| 136 | E | 93 | Very high | 92.9 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -65.3 | -44 | 175.3 | -168.8 | -167 | 163 | 0 | 0 | 111.6 | E132 L134 L140 P141 | E132-E136 WeakPolarHBondContact O-CB 2.97Å; E132-E136 PolarHBondContact O-N 3.35Å; L134-E136 VanDerWaalsContact C-N 3.34Å; E136-L140 HydrophobicContact CG-CD2 4.26Å; E136-L140 WeakPolarHBondContact O-CB 3.36Å; E136-P141 WeakPolarHBondContact O-CD 3.5Å |
| 137 | A | 91.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -76.4 | -30.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A133 L134 W155 I158 K282 | A133-A137 WeakPolarHBondContact O-CB 3.01Å; A133-A137 PolarHBondContact O-N 3.43Å; L134-A137 PolarHBondContact O-N 3.12Å; A137-W155 HydrophobicContact CB-CG 4.35Å; A137-I158 HydrophobicContact CB-CD1 3.67Å; A137-K282 HydrophobicContact CB-CG 4.48Å |
| 138 | V | 92.2 | Very high | 92.6 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -116.6 | -52.3 | -170.9 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | L134 P141 I142 I158 V175 A179 L261 | L134-V138 WeakPolarHBondContact O-CB 3.24Å; L134-V138 PolarHBondContact O-N 3.27Å; V138-P141 WeakPolarHBondContact O-CD 3.32Å; V138-I142 HydrophobicContact CG1-CD1 4.12Å; V138-I142 VanDerWaalsContact O-CD1 3.32Å; V138-I142 WeakPolarHBondContact O-CD1 3.17Å; V138-I142 VanDerWaalsContact O-CG1 3.26Å; V138-I142 WeakPolarHBondContact O-CG1 3.26Å; V138-I158 HydrophobicContact CG2-CD1 3.59Å; V138-V175 HydrophobicContact CB-CG1 4.17Å; V138-V175 HydrophobicContact CG1-CG1 3.86Å; V138-V175 HydrophobicContact CG2-CG1 4Å; V138-A179 HydrophobicContact CG1-CB 3.96Å; V138-L261 HydrophobicContact CB-CD2 4.28Å; V138-L261 HydrophobicContact CG1-CD2 3.77Å; V138-L261 HydrophobicContact CG2-CD2 3.49Å; V138-L261 VanDerWaalsContact CG2-CD2 3.49Å |
| 139 | I | 92.3 | Very high | 92.3 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 18% | 0.179 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -76.9 | -40.6 | -171 | -50.4 | -57.2 | 0 | 0 | 0 | 111.1 | W121 K135 I142 K143 E178 A179 | W121-I139 HydrophobicContact CZ2-CG1 4.3Å; K135-I139 HydrophobicContact CG-CG1 4.38Å; K135-I139 CarbonylContact O-C 3.56Å; K135-I139 WeakPolarHBondContact O-CA 3.41Å; K135-I139 WeakPolarHBondContact O-CB 3.36Å; K135-I139 PolarHBondContact O-N 3.32Å; I139-I142 PolarHBondContact O-N 3.02Å; I139-K143 WeakPolarHBondContact O-CB 3.36Å; I139-K143 PolarHBondContact O-N 2.78Å; I139-E178 HydrophobicContact CD1-CB 3.89Å; I139-A179 HydrophobicContact CD1-CB 4.14Å |
| 140 | L | 93 | Very high | 92.1 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | -178.9 | -172.5 | 77.1 | 0 | 0 | 0 | 112.7 | K135 E136 I142 K143 F144 F148 | K135-L140 PolarHBondContact O-N 3.45Å; E136-L140 HydrophobicContact CG-CD2 4.26Å; E136-L140 WeakPolarHBondContact O-CB 3.36Å; L140-I142 VanDerWaalsContact C-N 3.33Å; L140-I142 PolarHBondContact O-N 2.8Å; L140-K143 PolarHBondContact O-N 3.17Å; L140-F144 HydrophobicContact CD1-CD2 3.65Å; L140-F144 HydrophobicContact CD1-CE2 4.05Å; L140-F144 HydrophobicContact CG-CD2 4.49Å; L140-F144 PolarHBondContact O-N 3.07Å; L140-F148 HydrophobicContact CD2-CE2 4.4Å; L140-F148 HydrophobicContact CD2-CZ 4.12Å; L140-F148 HydrophobicContact CG-CE2 4.22Å; L140-F148 HydrophobicContact CG-CZ 4.35Å |
| 141 | P | 90.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 67.8 Ų | 67.8 | 10% | 0.104 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -35.4 | 173.3 | -20.2 | 27.5 | 0 | 0 | 0 | 115 | E136 V138 P145 F148 P154 | E136-P141 WeakPolarHBondContact O-CD 3.5Å; V138-P141 WeakPolarHBondContact O-CD 3.32Å; P141-P145 WeakPolarHBondContact O-CA 3.45Å; P141-F148 VanDerWaalsContact CA-CE2 3.4Å; P141-F148 HydrophobicContact CB-CD1 4.39Å; P141-F148 HydrophobicContact CB-CD2 3.79Å; P141-F148 HydrophobicContact CB-CE1 4.42Å; P141-F148 HydrophobicContact CB-CE2 3.84Å; P141-F148 HydrophobicContact CB-CG 4.08Å; P141-F148 HydrophobicContact CB-CZ 4.15Å; P141-F148 HydrophobicContact CG-CD1 4.24Å; P141-F148 HydrophobicContact CG-CD2 4.16Å; P141-F148 HydrophobicContact CG-CE1 3.84Å; P141-F148 HydrophobicContact CG-CE2 3.76Å; P141-F148 HydrophobicContact CG-CG 4.39Å; P141-F148 HydrophobicContact CG-CZ 3.58Å; P141-P154 HydrophobicContact CB-CB 3.7Å; P141-P154 HydrophobicContact CG-CB 3.72Å |
| 142 | I | 89.7 | Confident | 91.6 | Very high | 66 Ų | 66 | 74.4 Ų | 74.4 | 34% | 0.338 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 177.3 | -68.3 | 170 | 0 | 0 | 0 | 110.1 | V138 I139 L140 A179 N180 | V138-I142 HydrophobicContact CG1-CD1 4.12Å; V138-I142 VanDerWaalsContact O-CD1 3.32Å; V138-I142 WeakPolarHBondContact O-CD1 3.17Å; V138-I142 VanDerWaalsContact O-CG1 3.26Å; V138-I142 WeakPolarHBondContact O-CG1 3.26Å; I139-I142 PolarHBondContact O-N 3.02Å; L140-I142 VanDerWaalsContact C-N 3.33Å; L140-I142 PolarHBondContact O-N 2.8Å; I142-A179 HydrophobicContact CD1-CB 3.67Å; I142-N180 WeakPolarHBondContact CG2-ND2 3.41Å |
| 143 | K | 90.1 | Very high | 91.3 | Very high | 147 Ų | 147 | 73.1 Ų | 73.1 | 64% | 0.639 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -73.4 | -38 | -177.9 | -170.2 | 172.8 | -177.9 | 174.7 | 0 | 112.9 | I139 L140 | I139-K143 WeakPolarHBondContact O-CB 3.36Å; I139-K143 PolarHBondContact O-N 2.78Å; L140-K143 PolarHBondContact O-N 3.17Å |
| 144 | F | 92.3 | Very high | 91.1 | Very high | 78 Ų | 78 | 73.8 Ų | 73.8 | 34% | 0.342 | 38% | 0.379 | S | S | . | . | trans | -129.5 | 66.2 | -175.5 | -55.9 | -62.1 | 0 | 0 | 0 | 111.9 | L140 H146 L147 | L140-F144 HydrophobicContact CD1-CD2 3.65Å; L140-F144 HydrophobicContact CD1-CE2 4.05Å; L140-F144 HydrophobicContact CG-CD2 4.49Å; L140-F144 PolarHBondContact O-N 3.07Å; F144-H146 AromaticContact CD1-CE1 3.81Å; F144-H146 PolarHBondContact O-N 3.08Å; F144-H146 VanDerWaalsContact O-N 3.12Å; F144-L147 HydrophobicContact CB-CD1 3.72Å; F144-L147 HydrophobicContact CB-CG 3.96Å; F144-L147 HydrophobicContact CD2-CD1 4.45Å; F144-L147 HydrophobicContact CG-CD1 4.32Å; F144-L147 WeakPolarHBondContact O-CB 3.27Å; F144-L147 PolarHBondContact O-N 3.5Å | ||
| 145 | P | 90.1 | Very high | 90.9 | Very high | 84 Ų | 84 | 77.9 Ų | 77.9 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -60.7 | -27.6 | -175.7 | 23.5 | -34.5 | 0 | 0 | 0 | 113.1 | P141 L147 F148 | P141-P145 WeakPolarHBondContact O-CA 3.45Å; P145-L147 PolarHBondContact O-N 3.49Å; P145-F148 CarbonylContact O-C 3.44Å; P145-F148 PolarHBondContact O-N 3.44Å |
| 146 | H | 91.6 | Very high | 90.6 | Very high | 123 Ų | 123 | 75.3 Ų | 75.3 | 57% | 0.569 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -61.3 | -26.5 | 176.8 | 65.9 | -88.7 | 0 | 0 | 0 | 113.4 | F144 F148 T149 | F144-H146 AromaticContact CD1-CE1 3.81Å; F144-H146 PolarHBondContact O-N 3.08Å; F144-H146 VanDerWaalsContact O-N 3.12Å; H146-F148 VanDerWaalsContact C-N 3.26Å; H146-F148 PolarHBondContact O-N 3.24Å; H146-T149 PolarHBondContact O-OG1 2.97Å |
| 147 | L | 93.4 | Very high | 90.6 | Very high | 66 Ų | 66 | 70.8 Ų | 70.8 | 35% | 0.346 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -72 | -22.9 | 175.6 | -63.8 | -179.6 | 0 | 0 | 0 | 112.3 | F144 P145 R152 | F144-L147 HydrophobicContact CB-CD1 3.72Å; F144-L147 HydrophobicContact CB-CG 3.96Å; F144-L147 HydrophobicContact CD2-CD1 4.45Å; F144-L147 HydrophobicContact CG-CD1 4.32Å; F144-L147 WeakPolarHBondContact O-CB 3.27Å; F144-L147 PolarHBondContact O-N 3.5Å; P145-L147 PolarHBondContact O-N 3.49Å; L147-R152 VanDerWaalsContact O-CD 3.23Å; L147-R152 WeakPolarHBondContact O-CD 3.42Å; L147-R152 PolarHBondContact O-NH1 3.38Å |
| 148 | F | 90.1 | Very high | 90.8 | Very high | 42 Ų | 42 | 70.7 Ų | 70.7 | 18% | 0.184 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -108.1 | 56.4 | -175 | -63 | -93.6 | 0 | 0 | 0 | 110.8 | L140 P141 P145 H146 R152 P154 | L140-F148 HydrophobicContact CD2-CE2 4.4Å; L140-F148 HydrophobicContact CD2-CZ 4.12Å; L140-F148 HydrophobicContact CG-CE2 4.22Å; L140-F148 HydrophobicContact CG-CZ 4.35Å; P141-F148 VanDerWaalsContact CA-CE2 3.4Å; P141-F148 HydrophobicContact CB-CD1 4.39Å; P141-F148 HydrophobicContact CB-CD2 3.79Å; P141-F148 HydrophobicContact CB-CE1 4.42Å; P141-F148 HydrophobicContact CB-CE2 3.84Å; P141-F148 HydrophobicContact CB-CG 4.08Å; P141-F148 HydrophobicContact CB-CZ 4.15Å; P141-F148 HydrophobicContact CG-CD1 4.24Å; P141-F148 HydrophobicContact CG-CD2 4.16Å; P141-F148 HydrophobicContact CG-CE1 3.84Å; P141-F148 HydrophobicContact CG-CE2 3.76Å; P141-F148 HydrophobicContact CG-CG 4.39Å; P141-F148 HydrophobicContact CG-CZ 3.58Å; P145-F148 CarbonylContact O-C 3.44Å; P145-F148 PolarHBondContact O-N 3.44Å; H146-F148 VanDerWaalsContact C-N 3.26Å; H146-F148 PolarHBondContact O-N 3.24Å; F148-R152 CarbonylContact C-O 3.57Å; F148-R152 WeakPolarHBondContact CA-O 3.44Å; F148-R152 HydrophobicContact CD1-CG 3.96Å; F148-R152 HydrophobicContact CE1-CG 4.36Å; F148-P154 HydrophobicContact CD1-CB 4.33Å |
| 149 | T | 87.3 | Confident | 91 | Very high | 95 Ų | 95 | 70.2 Ų | 70.2 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | trans | -116.6 | 161.4 | 176.2 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | H146 K151 R152 | H146-T149 PolarHBondContact O-OG1 2.97Å; T149-K151 PolarHBondContact O-N 3.42Å; T149-R152 PolarHBondContact N-O 3.39Å; T149-R152 PolarHBondContact O-N 2.64Å | ||
| 150 | G | 88.8 | Confident | 91.2 | Very high | 76 Ų | 76 | 68.5 Ų | 68.5 | 78% | 0.784 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -124.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | R152 | G150-R152 VanDerWaalsContact C-N 3.34Š|
| 151 | K | 89.4 | Confident | 91.4 | Very high | 214 Ų | 214 | 65.6 Ų | 65.6 | 93% | 0.93 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -15.8 | 179.9 | -67 | -172.9 | 178.8 | -178.7 | 0 | 113.8 | T149 T153 | T149-K151 PolarHBondContact O-N 3.42Å; K151-T153 PolarHBondContact O-N 2.85Å |
| 152 | R | 90.1 | Very high | 91.7 | Very high | 149 Ų | 149 | 64.8 Ų | 64.8 | 56% | 0.562 | 33% | 0.329 | S | S | * | . | trans | -87.5 | 107.1 | 176.5 | -167.3 | -178.5 | -55.6 | 148.3 | -13.7 | 108.3 | L147 F148 T149 G150 | L147-R152 VanDerWaalsContact O-CD 3.23Å; L147-R152 WeakPolarHBondContact O-CD 3.42Å; L147-R152 PolarHBondContact O-NH1 3.38Å; F148-R152 CarbonylContact C-O 3.57Å; F148-R152 WeakPolarHBondContact CA-O 3.44Å; F148-R152 HydrophobicContact CD1-CG 3.96Å; F148-R152 HydrophobicContact CE1-CG 4.36Å; T149-R152 PolarHBondContact N-O 3.39Å; T149-R152 PolarHBondContact O-N 2.64Å; G150-R152 VanDerWaalsContact C-N 3.34Å | ||
| 153 | T | 88.4 | Confident | 92 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | trans | -114.4 | 148 | 178 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | K151 | K151-T153 PolarHBondContact O-N 2.85Š| ||
| 154 | P | 89.9 | Confident | 92.2 | Very high | 17 Ų | 17 | 57.1 Ų | 57.1 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | trans | -68 | 153.5 | 175.2 | 30.6 | -35.3 | 0 | 0 | 0 | 111.1 | P141 F148 R156 | P141-P154 HydrophobicContact CB-CB 3.7Å; P141-P154 HydrophobicContact CG-CB 3.72Å; F148-P154 HydrophobicContact CD1-CB 4.33Å; P154-R156 VanDerWaalsContact CG-CZ 3.47Å; P154-R156 PolarHBondContact O-N 2.97Å | ||
| 155 | W | 90.4 | Very high | 92.3 | Very high | 87 Ų | 87 | 54.9 Ų | 54.9 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | trans | -65.9 | 130.9 | 173.2 | -54.2 | 106.2 | 0 | 0 | 0 | 110.1 | A137 I158 L261 E281 K282 | A137-W155 HydrophobicContact CB-CG 4.35Å; W155-I158 HydrophobicContact CB-CG1 4.4Å; W155-L261 WeakPolarHBondContact O-CD1 3.32Å; W155-E281 HydrophobicContact CE3-CB 3.63Å; W155-E281 VanDerWaalsContact CE3-OE2 3.3Å; W155-E281 HydrophobicContact CZ3-CB 3.62Å; W155-E281 HydrophobicContact CZ3-CG 4.5Å; W155-K282 HydrophobicContact CB-CB 4.47Å; W155-K282 HydrophobicContact CD2-CB 4.33Å; W155-K282 HydrophobicContact CG-CB 4.24Å | ||
| 156 | R | 89.5 | Confident | 92.6 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | trans | -105.7 | -23 | -180 | -61.2 | -59.6 | -171.9 | -173.3 | -1.5 | 113.5 | P154 V253 N257 V262 | P154-R156 VanDerWaalsContact CG-CZ 3.47Å; P154-R156 PolarHBondContact O-N 2.97Å; R156-V253 HydrophobicContact CB-CG1 4.33Å; R156-N257 PolarHBondContact NH2-OD1 2.81Å; R156-V262 PolarHBondContact O-N 2.81Å | ||
| 157 | G | 93.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V262 E281 K282 | G157-V262 WeakPolarHBondContact CA-O 2.93Å; G157-E281 PolarHBondContact O-N 2.92Å; G157-K282 PolarHBondContact O-N 3.16Å |
| 158 | I | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127 | 174.4 | -49.6 | 177.8 | 0 | 0 | 0 | 109.3 | L134 A137 V138 W155 L160 L261 V262 L263 A264 K282 I284 | L134-I158 HydrophobicContact CD2-CD1 4.22Å; L134-I158 HydrophobicContact CD2-CG2 4.26Å; A137-I158 HydrophobicContact CB-CD1 3.67Å; V138-I158 HydrophobicContact CG2-CD1 3.59Å; W155-I158 HydrophobicContact CB-CG1 4.4Å; I158-L160 HydrophobicContact CG2-CD2 4.32Å; I158-L261 HydrophobicContact CD1-CD1 4.03Å; I158-L261 HydrophobicContact CG1-CD1 4.12Å; I158-V262 PolarHBondContact N-O 3.03Å; I158-L263 HydrophobicContact CB-CD2 3.63Å; I158-L263 HydrophobicContact CD1-CD2 4.03Å; I158-L263 HydrophobicContact CG1-CD2 4.16Å; I158-L263 HydrophobicContact CG2-CD2 4.26Å; I158-L263 WeakPolarHBondContact O-CA 3.32Å; I158-A264 PolarHBondContact O-N 3.26Å; I158-K282 CarbonylContact C-O 2.91Å; I158-K282 VanDerWaalsContact CA-O 3.32Å; I158-K282 WeakPolarHBondContact CA-O 3.47Å; I158-K282 HydrophobicContact CB-CB 4.38Å; I158-K282 HydrophobicContact CG1-CB 4.03Å; I158-K282 HydrophobicContact CG2-CB 4.16Å; I158-K282 HydrophobicContact CG2-CG 4.2Å; I158-I284 HydrophobicContact CG2-CD1 3.75Å; I158-I284 HydrophobicContact CG2-CG1 4.15Å |
| 159 | L | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.6 | 174.4 | -179 | 68.9 | 0 | 0 | 0 | 110.1 | V224 A264 T266 L272 F280 K282 R283 I284 | L159-V224 HydrophobicContact CD1-CG1 3.92Å; L159-A264 HydrophobicContact CD1-CB 3.87Å; L159-T266 HydrophobicContact CD1-CG2 3.92Å; L159-T266 HydrophobicContact CD2-CG2 4.41Å; L159-T266 HydrophobicContact CG-CG2 4.4Å; L159-L272 HydrophobicContact CD2-CD2 3.91Å; L159-F280 HydrophobicContact CB-CB 3.66Å; L159-F280 HydrophobicContact CB-CD1 4.29Å; L159-F280 HydrophobicContact CB-CG 3.93Å; L159-K282 PolarHBondContact N-O 3.41Å; L159-R283 HydrophobicContact CB-CG 4.27Å; L159-R283 HydrophobicContact CD2-CG 4.47Å; L159-R283 CarbonylContact O-C 3.25Å; L159-R283 WeakPolarHBondContact O-CA 3.48Å; L159-I284 PolarHBondContact O-N 3.13Å |
| 160 | L | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 121.1 | 167.2 | -53.4 | -176.9 | 0 | 0 | 0 | 108.3 | L134 I158 K168 L171 A172 A264 A265 T266 I284 I286 | L134-L160 HydrophobicContact CD1-CD2 4.43Å; L134-L160 HydrophobicContact CD2-CD2 4.31Å; I158-L160 HydrophobicContact CG2-CD2 4.32Å; L160-K168 HydrophobicContact CB-CB 4.42Å; L160-K168 HydrophobicContact CB-CD 4.36Å; L160-K168 HydrophobicContact CB-CG 4.29Å; L160-L171 HydrophobicContact CD1-CD2 4.44Å; L160-A172 HydrophobicContact CD1-CB 4.26Å; L160-A264 PolarHBondContact N-O 2.92Å; L160-A265 VanDerWaalsContact O-CA 3.28Å; L160-A265 WeakPolarHBondContact O-CA 3.42Å; L160-T266 PolarHBondContact O-N 3.06Å; L160-I284 HydrophobicContact CD2-CB 4.02Å; L160-I284 HydrophobicContact CD2-CD1 4.34Å; L160-I286 HydrophobicContact CB-CG1 4.37Å; L160-I286 HydrophobicContact CD2-CD1 4.48Å |
| 161 | Y | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.6 | 178.6 | 71.6 | -82.3 | 0 | 0 | 0 | 111.3 | T266 P269 R283 I284 Y285 I286 F424 T425 G429 | Y161-T266 WeakPolarHBondContact CA-O 3.42Å; Y161-P269 HydrophobicContact CD2-CB 4.21Å; Y161-P269 HydrophobicContact CD2-CG 3.72Å; Y161-P269 HydrophobicContact CG-CB 4.18Å; Y161-P269 HydrophobicContact CG-CG 4.16Å; Y161-R283 HydrophobicContact CD1-CB 4.41Å; Y161-R283 HydrophobicContact CE1-CB 3.99Å; Y161-I284 WeakPolarHBondContact CD1-O 3.08Å; Y161-I284 PolarHBondContact N-O 2.9Å; Y161-Y285 AromaticContact CD2-CD2 3.86Å; Y161-Y285 HydrophobicContact CD2-CD2 3.86Å; Y161-Y285 AromaticContact CE2-CD2 3.54Å; Y161-Y285 HydrophobicContact CE2-CD2 3.54Å; Y161-Y285 HydrophobicContact CE2-CE2 4.48Å; Y161-Y285 HydrophobicContact CE2-CG 4.13Å; Y161-Y285 CarbonylContact O-C 3.58Å; Y161-Y285 WeakPolarHBondContact O-CA 3.36Å; Y161-I286 PolarHBondContact O-N 3.27Å; Y161-F424 HydrophobicContact CD1-CE1 4.4Å; Y161-F424 AromaticContact CD2-CD1 3.96Å; Y161-F424 HydrophobicContact CD2-CD1 3.96Å; Y161-F424 HydrophobicContact CD2-CE1 4.31Å; Y161-F424 HydrophobicContact CE1-CD1 4.44Å; Y161-F424 HydrophobicContact CE1-CE1 4.22Å; Y161-F424 AromaticContact CE2-CD1 3.55Å; Y161-F424 HydrophobicContact CE2-CD1 3.55Å; Y161-F424 HydrophobicContact CE2-CE1 4.09Å; Y161-F424 HydrophobicContact CG-CE1 4.43Å; Y161-F424 AromaticContact CZ-CD1 3.81Å; Y161-T425 WeakPolarHBondContact OH-CA 3.21Å; Y161-T425 WeakPolarHBondContact OH-CB 3.08Å; Y161-T425 PolarHBondContact OH-OG1 2.99Å; Y161-G429 WeakPolarHBondContact OH-CA 3.47Å |
| 162 | G | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | 159.7 | 173 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K168 T266 N267 H421 | G162-K168 PolarHBondContact O-NZ 3.07Å; G162-T266 PolarHBondContact N-O 2.99Å; G162-N267 PolarHBondContact O-OD1 3.08Å; G162-H421 VanDerWaalsContact CA-CD2 3.45Å; G162-H421 WeakPolarHBondContact CA-CD2 3.18Å; G162-H421 PolarHBondContact O-NE2 3.19Å | ||
| 163 | P | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -54.3 | 155.7 | 178.8 | -23.8 | 34 | 0 | 0 | 0 | 112.8 | T166 K168 I286 L288 V413 L418 | P163-T166 HydrophobicContact CB-CG2 4.2Å; P163-T166 WeakPolarHBondContact O-CG2 3.4Å; P163-T166 PolarHBondContact O-OG1 3.3Å; P163-K168 PolarHBondContact O-NZ 3.44Å; P163-I286 WeakPolarHBondContact CD-O 3.27Å; P163-L288 HydrophobicContact CB-CD2 4.26Å; P163-L288 HydrophobicContact CG-CG 4.32Å; P163-V413 HydrophobicContact CB-CB 4.4Å; P163-V413 HydrophobicContact CB-CG1 3.85Å; P163-V413 HydrophobicContact CB-CG2 3.69Å; P163-V413 HydrophobicContact CG-CG1 4.2Å; P163-L418 HydrophobicContact CG-CD2 3.66Å |
| 164 | P | 95.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 22.7 Ų | 22.7 | 33% | 0.331 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 152.9 | 175.1 | 27.5 | -35.4 | 0 | 0 | 0 | 111.3 | T166 N267 V413 | P164-T166 VanDerWaalsContact C-N 3.31Å; P164-T166 PolarHBondContact O-N 2.99Å; P164-N267 WeakPolarHBondContact CA-OD1 3.4Å; P164-V413 HydrophobicContact CG-CG2 4.14Å |
| 165 | G | 95 | Very high | 95.1 | Very high | 31 Ų | 31 | 21.9 Ų | 21.9 | 32% | 0.32 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 8.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | G326 A327 | G165-G326 PolarHBondContact O-N 3.15Å; G165-G326 VanDerWaalsContact O-N 3.09Å; G165-A327 PolarHBondContact O-N 3.37Å; G165-A327 VanDerWaalsContact O-N 3.12Å |
| 166 | T | 96.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 17.7 Ų | 17.7 | 9% | 0.086 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -89.4 | 3.5 | 179.8 | 58.6 | 0 | 0 | 0 | 0 | 114.8 | P163 P164 I286 P287 L288 | P163-T166 HydrophobicContact CB-CG2 4.2Å; P163-T166 WeakPolarHBondContact O-CG2 3.4Å; P163-T166 PolarHBondContact O-OG1 3.3Å; P164-T166 VanDerWaalsContact C-N 3.31Å; P164-T166 PolarHBondContact O-N 2.99Å; T166-I286 WeakPolarHBondContact OG1-CG2 3.42Å; T166-P287 WeakPolarHBondContact CG2-O 3.42Å; T166-L288 HydrophobicContact CG2-CD2 3.94Å |
| 167 | G | 94.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 17.1 Ų | 17.1 | 32% | 0.32 | 10% | 0.103 | S | C | . | . | trans | 86.6 | 21.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S169 Y170 L171 | G167-S169 PolarHBondContact O-N 3.44Å; G167-Y170 WeakPolarHBondContact O-CB 3.39Å; G167-Y170 PolarHBondContact O-N 3.07Å; G167-Y170 VanDerWaalsContact O-N 3.08Å; G167-L171 WeakPolarHBondContact O-CB 3.47Å; G167-L171 PolarHBondContact O-N 3.42Å | ||
| 168 | K | 96.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 20.2 Ų | 20.2 | 5% | 0.048 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -48.3 | -51.3 | 175.5 | -68.8 | -176.8 | -70.7 | -75.4 | 0 | 113.3 | L160 G162 P163 Y170 L171 A172 A265 T266 N267 I286 | L160-K168 HydrophobicContact CB-CB 4.42Å; L160-K168 HydrophobicContact CB-CD 4.36Å; L160-K168 HydrophobicContact CB-CG 4.29Å; G162-K168 PolarHBondContact O-NZ 3.07Å; P163-K168 PolarHBondContact O-NZ 3.44Å; K168-Y170 VanDerWaalsContact C-N 3.35Å; K168-L171 PolarHBondContact O-N 2.85Å; K168-A172 PolarHBondContact O-N 3.28Å; K168-A265 HydrophobicContact CB-CB 4.06Å; K168-A265 HydrophobicContact CD-CB 4.25Å; K168-T266 WeakPolarHBondContact CE-O 3.49Å; K168-N267 WeakPolarHBondContact CE-OD1 3.33Å; K168-N267 PolarHBondContact NZ-OD1 3.35Å; K168-I286 HydrophobicContact CG-CB 4.12Å; K168-I286 HydrophobicContact CG-CG1 3.93Å; K168-I286 HydrophobicContact CG-CG2 4.35Å |
| 169 | S | 94.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 20.3 Ų | 20.3 | 27% | 0.266 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -70 | -32.5 | -179.5 | -33.6 | 0 | 0 | 0 | 0 | 111.9 | G167 A172 K173 D222 | G167-S169 PolarHBondContact O-N 3.44Å; S169-A172 PolarHBondContact O-N 3Å; S169-K173 WeakPolarHBondContact O-CG 3.21Å; S169-K173 PolarHBondContact O-N 3.02Å; S169-K173 VanDerWaalsContact O-N 3.17Å; S169-D222 PolarHBondContact OG-OD2 3.02Å |
| 170 | Y | 95.4 | Very high | 94.6 | Very high | 105 Ų | 105 | 25.8 Ų | 25.8 | 41% | 0.412 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -69.2 | -42.6 | 175.2 | -165.5 | -103.1 | 0 | 0 | 0 | 111.7 | I119 D123 V124 G167 K168 A172 K173 A174 | I119-Y170 HydrophobicContact CD1-CD2 3.83Å; I119-Y170 HydrophobicContact CD1-CE2 3.47Å; I119-Y170 VanDerWaalsContact CD1-CE2 3.47Å; I119-Y170 HydrophobicContact CG1-CE2 4.13Å; I119-Y170 HydrophobicContact CG2-CD1 4.33Å; I119-Y170 HydrophobicContact CG2-CE1 3.69Å; I119-Y170 HydrophobicContact CG2-CE2 4.25Å; D123-Y170 HydrophobicContact CB-CE1 4.47Å; V124-Y170 HydrophobicContact CG2-CD1 3.93Å; V124-Y170 HydrophobicContact CG2-CE1 3.98Å; G167-Y170 WeakPolarHBondContact O-CB 3.39Å; G167-Y170 PolarHBondContact O-N 3.07Å; G167-Y170 VanDerWaalsContact O-N 3.08Å; K168-Y170 VanDerWaalsContact C-N 3.35Å; Y170-A172 PolarHBondContact O-N 3.33Å; Y170-K173 PolarHBondContact O-N 2.58Å; Y170-A174 PolarHBondContact O-N 3.28Å |
| 171 | L | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 173.4 | -177.3 | 67.9 | 0 | 0 | 0 | 111.6 | W121 V124 L127 A130 K131 L134 L160 G167 K168 K173 A174 V175 I286 | W121-L171 HydrophobicContact CE3-CD1 4.44Å; W121-L171 HydrophobicContact CZ3-CD1 3.75Å; V124-L171 HydrophobicContact CG1-CD1 4.09Å; V124-L171 HydrophobicContact CG2-CD1 4.49Å; L127-L171 HydrophobicContact CD1-CD2 4.39Å; A130-L171 HydrophobicContact CB-CD2 4.35Å; K131-L171 HydrophobicContact CG-CD1 4.21Å; L134-L171 HydrophobicContact CD1-CD1 3.98Å; L134-L171 HydrophobicContact CD1-CD2 3.58Å; L134-L171 HydrophobicContact CD1-CG 3.63Å; L160-L171 HydrophobicContact CD1-CD2 4.44Å; G167-L171 WeakPolarHBondContact O-CB 3.47Å; G167-L171 PolarHBondContact O-N 3.42Å; K168-L171 PolarHBondContact O-N 2.85Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.45Å; L171-A174 WeakPolarHBondContact O-CB 3.3Å; L171-A174 PolarHBondContact O-N 2.66Å; L171-A174 VanDerWaalsContact O-N 3.15Å; L171-V175 WeakPolarHBondContact O-CG2 3.38Å; L171-V175 PolarHBondContact O-N 2.74Å; L171-I286 HydrophobicContact CD2-CD1 3.6Å; L171-I286 HydrophobicContact CD2-CG1 4.49Å |
| 172 | A | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L160 K168 S169 Y170 V175 A176 F184 F220 L263 | L160-A172 HydrophobicContact CD1-CB 4.26Å; K168-A172 PolarHBondContact O-N 3.28Å; S169-A172 PolarHBondContact O-N 3Å; Y170-A172 PolarHBondContact O-N 3.33Å; A172-V175 WeakPolarHBondContact O-CB 3.23Å; A172-V175 PolarHBondContact O-N 3.48Å; A172-A176 PolarHBondContact O-N 3.49Å; A172-F184 HydrophobicContact CB-CE2 4.18Å; A172-F184 HydrophobicContact CB-CZ 4.17Å; A172-F220 HydrophobicContact CB-CD2 3.51Å; A172-F220 HydrophobicContact CB-CE2 3.51Å; A172-F220 HydrophobicContact CB-CG 4.19Å; A172-F220 HydrophobicContact CB-CZ 4.2Å; A172-L263 HydrophobicContact CB-CD1 3.9Å |
| 173 | K | 95.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 172.6 | -68.4 | -177.6 | -172.3 | -143.4 | 0 | 111.8 | E115 P117 I119 S169 Y170 L171 V175 A176 T177 F184 | E115-K173 WeakPolarHBondContact OE1-CE 3.4Å; E115-K173 IonicContact OE1-NZ 3.86Å; E115-K173 PolarHBondContact OE1-NZ 3.18Å; E115-K173 IonicContact OE2-NZ 3.49Å; P117-K173 HydrophobicContact CB-CB 3.85Å; P117-K173 HydrophobicContact CB-CG 4.32Å; P117-K173 HydrophobicContact CG-CB 4.04Å; P117-K173 VanDerWaalsContact CG-O 3.28Å; P117-K173 WeakPolarHBondContact CG-O 3.48Å; I119-K173 HydrophobicContact CD1-CB 3.73Å; I119-K173 HydrophobicContact CD1-CD 3.95Å; I119-K173 HydrophobicContact CD1-CG 4.5Å; S169-K173 WeakPolarHBondContact O-CG 3.21Å; S169-K173 PolarHBondContact O-N 3.02Å; S169-K173 VanDerWaalsContact O-N 3.17Å; Y170-K173 PolarHBondContact O-N 2.58Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.45Å; K173-V175 VanDerWaalsContact C-N 3.32Å; K173-V175 PolarHBondContact O-N 3.31Å; K173-A176 WeakPolarHBondContact O-CB 3.39Å; K173-A176 PolarHBondContact O-N 2.98Å; K173-T177 PolarHBondContact O-N 3.47Å; K173-T177 VanDerWaalsContact O-N 3.12Å; K173-T177 PolarHBondContact O-OG1 3.49Å; K173-F184 HydrophobicContact CG-CD1 4.35Å; K173-F184 HydrophobicContact CG-CE1 3.82Å; K173-F184 HydrophobicContact CG-CZ 3.94Å |
| 174 | A | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I119 W121 V124 Y170 L171 A176 T177 E178 | I119-A174 HydrophobicContact CB-CB 4.46Å; I119-A174 HydrophobicContact CG2-CB 3.84Å; I119-A174 VanDerWaalsContact O-CA 3.28Å; I119-A174 WeakPolarHBondContact O-CA 3.41Å; W121-A174 HydrophobicContact CE3-CB 4.34Å; W121-A174 HydrophobicContact CZ3-CB 4.37Å; V124-A174 HydrophobicContact CG2-CB 3.7Å; Y170-A174 PolarHBondContact O-N 3.28Å; L171-A174 WeakPolarHBondContact O-CB 3.3Å; L171-A174 PolarHBondContact O-N 2.66Å; L171-A174 VanDerWaalsContact O-N 3.15Å; A174-A176 VanDerWaalsContact C-N 3.25Å; A174-A176 PolarHBondContact O-N 3.45Å; A174-T177 PolarHBondContact O-N 2.96Å; A174-E178 WeakPolarHBondContact O-CB 3.46Å; A174-E178 WeakPolarHBondContact O-CG 3.37Å; A174-E178 PolarHBondContact O-N 3.48Å |
| 175 | V | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.3 | -41.1 | 172.9 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | W121 L134 V138 L171 A172 K173 E178 A179 I218 L263 | W121-V175 HydrophobicContact CH2-CB 4.43Å; W121-V175 HydrophobicContact CH2-CG2 3.62Å; W121-V175 HydrophobicContact CZ2-CG2 4.5Å; W121-V175 HydrophobicContact CZ3-CG2 4.28Å; L134-V175 HydrophobicContact CB-CG2 4.21Å; L134-V175 HydrophobicContact CD1-CG2 3.68Å; L134-V175 HydrophobicContact CD2-CG2 3.92Å; L134-V175 HydrophobicContact CG-CG2 4.15Å; V138-V175 HydrophobicContact CB-CG1 4.17Å; V138-V175 HydrophobicContact CG1-CG1 3.86Å; V138-V175 HydrophobicContact CG2-CG1 4Å; L171-V175 WeakPolarHBondContact O-CG2 3.38Å; L171-V175 PolarHBondContact O-N 2.74Å; A172-V175 WeakPolarHBondContact O-CB 3.23Å; A172-V175 PolarHBondContact O-N 3.48Å; K173-V175 VanDerWaalsContact C-N 3.32Å; K173-V175 PolarHBondContact O-N 3.31Å; V175-E178 PolarHBondContact O-N 3.07Å; V175-A179 WeakPolarHBondContact O-CB 3.32Å; V175-A179 PolarHBondContact O-N 3.24Å; V175-I218 HydrophobicContact CG1-CD1 3.86Å; V175-L263 HydrophobicContact CB-CD1 4.22Å; V175-L263 HydrophobicContact CG1-CD1 4.17Å; V175-L263 HydrophobicContact CG2-CD1 4.48Å |
| 176 | A | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P117 A172 K173 A174 S182 F184 I218 | P117-A176 HydrophobicContact CG-CB 3.73Å; A172-A176 PolarHBondContact O-N 3.49Å; K173-A176 WeakPolarHBondContact O-CB 3.39Å; K173-A176 PolarHBondContact O-N 2.98Å; A174-A176 VanDerWaalsContact C-N 3.25Å; A174-A176 PolarHBondContact O-N 3.45Å; A176-S182 PolarHBondContact O-N 2.94Å; A176-F184 HydrophobicContact CB-CB 4Å; A176-F184 HydrophobicContact CB-CD2 3.58Å; A176-F184 HydrophobicContact CB-CE2 4.37Å; A176-F184 HydrophobicContact CB-CG 4.14Å; A176-I218 HydrophobicContact CB-CD1 3.88Å |
| 177 | T | 93.7 | Very high | 93 | Very high | 19 Ų | 19 | 27.2 Ų | 27.2 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 172.2 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | P117 I119 K173 A174 A179 N181 | P117-T177 PolarHBondContact O-OG1 3.2Å; I119-T177 PolarHBondContact N-OG1 2.8Å; I119-T177 WeakPolarHBondContact O-CB 3.36Å; I119-T177 WeakPolarHBondContact O-CG2 3.29Å; I119-T177 PolarHBondContact O-OG1 2.81Å; K173-T177 PolarHBondContact O-N 3.47Å; K173-T177 VanDerWaalsContact O-N 3.12Å; K173-T177 PolarHBondContact O-OG1 3.49Å; A174-T177 PolarHBondContact O-N 2.96Å; T177-A179 PolarHBondContact O-N 2.58Å; T177-N181 PolarHBondContact O-N 2.72Å |
| 178 | E | 93 | Very high | 92.5 | Very high | 66 Ų | 66 | 27 Ų | 27 | 31% | 0.308 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -74.6 | -26.6 | -174.3 | -65.2 | -80.2 | 173.8 | 0 | 0 | 112.8 | W121 I139 A174 V175 N180 | W121-E178 VanDerWaalsContact CD1-CG 3.47Å; W121-E178 VanDerWaalsContact CD1-OE2 3.26Å; W121-E178 HydrophobicContact CD2-CG 4.05Å; W121-E178 HydrophobicContact CG-CG 4Å; W121-E178 HydrophobicContact CZ2-CB 4.04Å; W121-E178 HydrophobicContact CZ2-CG 4.18Å; W121-E178 PolarHBondContact N-OE1 3.3Å; W121-E178 PolarHBondContact NE1-OE2 3.16Å; I139-E178 HydrophobicContact CD1-CB 3.89Å; A174-E178 WeakPolarHBondContact O-CB 3.46Å; A174-E178 WeakPolarHBondContact O-CG 3.37Å; A174-E178 PolarHBondContact O-N 3.48Å; V175-E178 PolarHBondContact O-N 3.07Å; E178-N180 PolarHBondContact O-N 3.42Å |
| 179 | A | 89.9 | Confident | 91.5 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 60 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | V138 I139 I142 V175 T177 N181 S182 I218 | V138-A179 HydrophobicContact CG1-CB 3.96Å; I139-A179 HydrophobicContact CD1-CB 4.14Å; I142-A179 HydrophobicContact CD1-CB 3.67Å; V175-A179 WeakPolarHBondContact O-CB 3.32Å; V175-A179 PolarHBondContact O-N 3.24Å; T177-A179 PolarHBondContact O-N 2.58Å; A179-N181 VanDerWaalsContact C-N 3.3Å; A179-N181 PolarHBondContact O-N 3.29Å; A179-S182 WeakPolarHBondContact O-CB 3.47Å; A179-S182 PolarHBondContact O-N 2.92Å; A179-S182 PolarHBondContact O-OG 3.21Å; A179-I218 HydrophobicContact CB-CD1 4.22Å |
| 180 | N | 84 | Confident | 90.6 | Very high | 115 Ų | 115 | 26.9 Ų | 26.9 | 62% | 0.615 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 36.1 | 180 | -66.5 | -13.2 | 0 | 0 | 0 | 114.4 | I142 E178 S182 | I142-N180 WeakPolarHBondContact CG2-ND2 3.41Å; E178-N180 PolarHBondContact O-N 3.42Å; N180-S182 PolarHBondContact O-N 2.89Å |
| 181 | N | 86.2 | Confident | 89.5 | Confident | 75 Ų | 75 | 24 Ų | 24 | 40% | 0.401 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 41.8 | -179.2 | -131.4 | 64.6 | 0 | 0 | 0 | 111.9 | T177 A179 | T177-N181 PolarHBondContact O-N 2.72Å; A179-N181 VanDerWaalsContact C-N 3.3Å; A179-N181 PolarHBondContact O-N 3.29Å |
| 182 | S | 88.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | trans | -58.6 | 150.1 | -177.4 | -79.1 | 0 | 0 | 0 | 0 | 111.3 | A176 A179 N180 F184 P216 | A176-S182 PolarHBondContact O-N 2.94Å; A179-S182 WeakPolarHBondContact O-CB 3.47Å; A179-S182 PolarHBondContact O-N 2.92Å; A179-S182 PolarHBondContact O-OG 3.21Å; N180-S182 PolarHBondContact O-N 2.89Å; S182-F184 PolarHBondContact O-N 3.19Å; S182-P216 WeakPolarHBondContact CA-O 3.5Å; S182-P216 WeakPolarHBondContact CB-O 3.37Å; S182-P216 WeakPolarHBondContact OG-CB 3.37Å | ||
| 183 | T | 92.4 | Very high | 86.9 | Confident | 19 Ų | 19 | 26.1 Ų | 26.1 | 12% | 0.117 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 122.5 | 175 | -49.8 | 0 | 0 | 0 | 0 | 109.8 | T114 Q214 P216 S217 I218 | T114-T183 HydrophobicContact CG2-CG2 3.53Å; T183-Q214 HydrophobicContact CG2-CB 4.21Å; T183-Q214 PolarHBondContact OG1-O 2.69Å; T183-P216 PolarHBondContact N-O 2.8Å; T183-S217 CarbonylContact O-C 3.55Å; T183-S217 VanDerWaalsContact O-CA 3.27Å; T183-S217 WeakPolarHBondContact O-CA 3.47Å; T183-I218 PolarHBondContact O-N 3.27Å |
| 184 | F | 94.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.9 | 179.9 | -169.5 | -106.7 | 0 | 0 | 0 | 109.7 | T114 E115 P117 A172 K173 A176 S182 I218 F220 | T114-F184 WeakPolarHBondContact CA-O 3.45Å; E115-F184 HydrophobicContact CG-CB 4.22Å; E115-F184 HydrophobicContact CG-CD1 3.96Å; E115-F184 PolarHBondContact N-O 3.16Å; E115-F184 WeakPolarHBondContact O-CB 3.43Å; E115-F184 PolarHBondContact O-N 2.82Å; P117-F184 HydrophobicContact CG-CB 4.3Å; A172-F184 HydrophobicContact CB-CE2 4.18Å; A172-F184 HydrophobicContact CB-CZ 4.17Å; K173-F184 HydrophobicContact CG-CD1 4.35Å; K173-F184 HydrophobicContact CG-CE1 3.82Å; K173-F184 HydrophobicContact CG-CZ 3.94Å; A176-F184 HydrophobicContact CB-CB 4Å; A176-F184 HydrophobicContact CB-CD2 3.58Å; A176-F184 HydrophobicContact CB-CE2 4.37Å; A176-F184 HydrophobicContact CB-CG 4.14Å; S182-F184 PolarHBondContact O-N 3.19Å; F184-I218 HydrophobicContact CD2-CB 4.18Å; F184-I218 HydrophobicContact CD2-CG2 4.15Å; F184-I218 HydrophobicContact CE2-CG2 4.25Å; F184-F220 HydrophobicContact CD2-CB 4.38Å; F184-F220 HydrophobicContact CE1-CB 3.97Å; F184-F220 HydrophobicContact CE1-CD1 4.22Å; F184-F220 HydrophobicContact CE1-CG 4.33Å; F184-F220 HydrophobicContact CE2-CB 3.47Å; F184-F220 VanDerWaalsContact CE2-CB 3.47Å; F184-F220 HydrophobicContact CE2-CG 4.04Å; F184-F220 HydrophobicContact CZ-CB 3.23Å; F184-F220 AromaticContact CZ-CD1 3.71Å; F184-F220 HydrophobicContact CZ-CD1 3.71Å; F184-F220 HydrophobicContact CZ-CD2 4.27Å; F184-F220 AromaticContact CZ-CG 3.47Å; F184-F220 HydrophobicContact CZ-CG 3.47Å; F184-F220 VanDerWaalsContact CZ-CG 3.47Å |
| 185 | L | 93.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 102 | 177.3 | -65.9 | 169.9 | 0 | 0 | 0 | 108.1 | I112 T114 L207 M210 A211 I218 I219 F220 | I112-L185 HydrophobicContact CG2-CB 4.37Å; I112-L185 HydrophobicContact CG2-CD2 3.98Å; T114-L185 HydrophobicContact CG2-CD2 3.66Å; T114-L185 WeakPolarHBondContact OG1-CD2 3.34Å; L185-L207 HydrophobicContact CB-CD1 4.11Å; L185-M210 HydrophobicContact CD1-CB 4.39Å; L185-M210 HydrophobicContact CD2-CE 4.43Å; L185-A211 HydrophobicContact CD1-CB 3.55Å; L185-I218 PolarHBondContact N-O 3.07Å; L185-I219 CarbonylContact O-C 3.57Å; L185-I219 WeakPolarHBondContact O-CA 3.4Å; L185-F220 PolarHBondContact O-N 3.38Å |
| 186 | S | 92.6 | Very high | 81.9 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 140.6 | 179.7 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | V113 F220 | V113-S186 WeakPolarHBondContact CB-OG 3.32Å; V113-S186 PolarHBondContact N-O 3.12Å; V113-S186 PolarHBondContact O-N 3.32Å; V113-S186 PolarHBondContact O-OG 3.09Å; S186-F220 WeakPolarHBondContact CA-O 3.14Å |
| 187 | V | 90.9 | Very high | 80.1 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 139.4 | 174 | 67.9 | 0 | 0 | 0 | 0 | 109.2 | L192 L207 F220 I221 D222 | V187-L192 HydrophobicContact CG1-CD1 4.27Å; V187-L192 HydrophobicContact CG2-CD1 4.23Å; V187-L192 HydrophobicContact CG2-CD2 3.64Å; V187-L192 HydrophobicContact CG2-CG 3.73Å; V187-L207 HydrophobicContact CB-CD2 4.48Å; V187-L207 HydrophobicContact CG1-CD2 3.71Å; V187-F220 PolarHBondContact N-O 3.36Å; V187-I221 HydrophobicContact CG1-CG1 3.81Å; V187-D222 PolarHBondContact O-N 3.16Å; V187-D222 VanDerWaalsContact O-N 3.09Å |
| 188 | S | 84.1 | Confident | 78.8 | Confident | 27 Ų | 27 | 42.9 Ų | 42.9 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132.7 | 167.6 | -178 | 0 | 0 | 0 | 0 | 109.6 | S190 D191 L192 | S188-S190 PolarHBondContact O-N 3.44Å; S188-S190 PolarHBondContact OG-N 2.69Å; S188-S190 PolarHBondContact OG-OG 3.25Å; S188-D191 WeakPolarHBondContact CB-OD2 3.28Å; S188-D191 WeakPolarHBondContact O-CB 3.11Å; S188-D191 PolarHBondContact O-N 2.87Å; S188-L192 PolarHBondContact O-N 2.83Å |
| 189 | S | 76.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.2 | -31.4 | 176 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | L192 V193 I221 D222 E223 V224 S226 | S189-L192 WeakPolarHBondContact O-CB 3.38Å; S189-L192 PolarHBondContact O-N 3.12Å; S189-V193 PolarHBondContact O-N 3.17Å; S189-I221 WeakPolarHBondContact OG-CG2 3.47Å; S189-D222 VanDerWaalsContact CB-O 3.27Å; S189-D222 WeakPolarHBondContact CB-O 3.49Å; S189-D222 PolarHBondContact N-O 2.94Å; S189-D222 VanDerWaalsContact N-O 3.11Å; S189-D222 PolarHBondContact OG-O 2.95Å; S189-E223 WeakPolarHBondContact CB-O 3.4Å; S189-E223 PolarHBondContact OG-O 2.95Å; S189-V224 WeakPolarHBondContact OG-CA 3.27Å; S189-S226 WeakPolarHBondContact CB-OG 3.3Å |
| 190 | S | 74.4 | Confident | 77.4 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 33% | 0.329 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.7 | -36 | 174.5 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | S188 L192 V193 S194 | S188-S190 PolarHBondContact O-N 3.44Å; S188-S190 PolarHBondContact OG-N 2.69Å; S188-S190 PolarHBondContact OG-OG 3.25Å; S190-L192 VanDerWaalsContact C-N 3.3Å; S190-L192 PolarHBondContact O-N 3.04Å; S190-V193 PolarHBondContact O-N 3.48Å; S190-S194 PolarHBondContact O-N 3.43Å; S190-S194 PolarHBondContact O-OG 3.04Å; S190-S194 VanDerWaalsContact O-OG 3.07Å |
| 191 | D | 71.9 | Confident | 77.4 | Confident | 44 Ų | 44 | 39.3 Ų | 39.3 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -34.4 | 174.4 | -76.4 | -41.3 | 0 | 0 | 0 | 111.9 | S188 K195 W196 | S188-D191 WeakPolarHBondContact CB-OD2 3.28Å; S188-D191 WeakPolarHBondContact O-CB 3.11Å; S188-D191 PolarHBondContact O-N 2.87Å; D191-K195 IonicContact OD1-NZ 2.92Å; D191-K195 PolarHBondContact OD1-NZ 2.86Å; D191-W196 PolarHBondContact O-NE1 3.19Å |
| 192 | L | 70.1 | Confident | 77.3 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.7 | -35.1 | 177.2 | -66.8 | 176.9 | 0 | 0 | 0 | 112.8 | V187 S188 S189 S190 S200 L203 V204 L227 | V187-L192 HydrophobicContact CG1-CD1 4.27Å; V187-L192 HydrophobicContact CG2-CD1 4.23Å; V187-L192 HydrophobicContact CG2-CD2 3.64Å; V187-L192 HydrophobicContact CG2-CG 3.73Å; S188-L192 PolarHBondContact O-N 2.83Å; S189-L192 WeakPolarHBondContact O-CB 3.38Å; S189-L192 PolarHBondContact O-N 3.12Å; S190-L192 VanDerWaalsContact C-N 3.3Å; S190-L192 PolarHBondContact O-N 3.04Å; L192-S200 WeakPolarHBondContact O-CB 3.44Å; L192-S200 PolarHBondContact O-OG 3.05Å; L192-L203 HydrophobicContact CD2-CB 4.45Å; L192-L203 HydrophobicContact CD2-CD2 3.32Å; L192-L203 HydrophobicContact CD2-CG 3.51Å; L192-V204 HydrophobicContact CD1-CG2 4.5Å; L192-L227 HydrophobicContact CB-CD1 4.38Å; L192-L227 HydrophobicContact CD1-CD2 3.92Å |
| 193 | V | 68.1 | Low | 77 | Confident | 43 Ų | 43 | 39.1 Ų | 39.1 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -90.2 | -44.3 | -173.6 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | S189 S190 L227 | S189-V193 PolarHBondContact O-N 3.17Å; S190-V193 PolarHBondContact O-N 3.48Å; V193-L227 HydrophobicContact CG2-CD1 3.45Å; V193-L227 VanDerWaalsContact CG2-CD1 3.45Å |
| 194 | S | 61.3 | Low | 76.8 | Confident | 82 Ų | 82 | 38.2 Ų | 38.2 | 57% | 0.573 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -79.9 | -33.6 | -166.9 | 69.4 | 0 | 0 | 0 | 0 | 113.8 | S190 | S190-S194 PolarHBondContact O-N 3.43Å; S190-S194 PolarHBondContact O-OG 3.04Å; S190-S194 VanDerWaalsContact O-OG 3.07Å |
| 195 | K | 61.2 | Low | 76.6 | Confident | 116 Ų | 116 | 43 Ų | 43 | 50% | 0.504 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -94.7 | -10.4 | -171.6 | -70.1 | 169 | -180 | 163.6 | 0 | 114.4 | D191 | D191-K195 IonicContact OD1-NZ 2.92Å; D191-K195 PolarHBondContact OD1-NZ 2.86Å |
| 196 | W | 58.5 | Low | 76.3 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | trans | -130.6 | 37.7 | -162.3 | -53 | 98.5 | 0 | 0 | 0 | 114.5 | Q107 A111 D191 G198 E199 S200 L203 | Q107-W196 HydrophobicContact CB-CH2 3.03Å; Q107-W196 HydrophobicContact CB-CZ2 4.14Å; Q107-W196 HydrophobicContact CB-CZ3 3.36Å; Q107-W196 HydrophobicContact CG-CH2 3.3Å; Q107-W196 HydrophobicContact CG-CZ3 3.56Å; A111-W196 HydrophobicContact CB-CZ2 4.06Å; D191-W196 PolarHBondContact O-NE1 3.19Å; W196-G198 PolarHBondContact O-N 2.98Å; W196-E199 HydrophobicContact CE3-CB 4.22Å; W196-E199 PolarHBondContact O-N 3.44Å; W196-S200 VanDerWaalsContact CB-OG 3.27Å; W196-S200 WeakPolarHBondContact CB-OG 3.42Å; W196-S200 PolarHBondContact O-N 3.3Å; W196-S200 PolarHBondContact O-OG 3.26Å; W196-L203 HydrophobicContact CD2-CD2 3.84Å; W196-L203 HydrophobicContact CG-CD2 3.74Å; W196-L203 VanDerWaalsContact NE1-CD2 3.3Å | ||
| 197 | L | 56.6 | Low | 76.2 | Confident | 144 Ų | 144 | 43.5 Ų | 43.5 | 75% | 0.754 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 103.7 | 176.5 | -73 | 166.3 | 0 | 0 | 0 | 110.6 | ||
| 198 | G | 65.7 | Low | 76.2 | Confident | 70 Ų | 70 | 43.3 Ų | 43.3 | 72% | 0.722 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 104.4 | -18 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | W196 | W196-G198 PolarHBondContact O-N 2.98Š|
| 199 | E | 75.1 | Confident | 76.5 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 25% | 0.252 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -7.2 | -177.3 | -68.6 | -176.1 | 177 | 0 | 0 | 113.9 | F104 W196 E201 K202 L203 | F104-E199 HydrophobicContact CE2-CB 4.35Å; W196-E199 HydrophobicContact CE3-CB 4.22Å; W196-E199 PolarHBondContact O-N 3.44Å; E199-E201 PolarHBondContact O-N 3.48Å; E199-E201 VanDerWaalsContact O-N 3.12Å; E199-K202 WeakPolarHBondContact O-CB 2.9Å; E199-K202 PolarHBondContact O-N 3.29Å; E199-L203 PolarHBondContact O-N 2.92Å |
| 200 | S | 78.6 | Confident | 77.1 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.8 | -33.9 | -179.8 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | L192 W196 L203 V204 I242 | L192-S200 WeakPolarHBondContact O-CB 3.44Å; L192-S200 PolarHBondContact O-OG 3.05Å; W196-S200 VanDerWaalsContact CB-OG 3.27Å; W196-S200 WeakPolarHBondContact CB-OG 3.42Å; W196-S200 PolarHBondContact O-N 3.3Å; W196-S200 PolarHBondContact O-OG 3.26Å; S200-L203 WeakPolarHBondContact O-CB 3.09Å; S200-L203 PolarHBondContact O-N 3.2Å; S200-V204 WeakPolarHBondContact O-CG2 3.46Å; S200-V204 PolarHBondContact O-N 3.21Å; S200-I242 WeakPolarHBondContact OG-CD1 3.18Å |
| 201 | E | 84.1 | Confident | 77.9 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 175.8 | -65.6 | 168.8 | -147.6 | 0 | 0 | 112 | E199 L203 V204 R205 R241 E245 | E199-E201 PolarHBondContact O-N 3.48Å; E199-E201 VanDerWaalsContact O-N 3.12Å; E201-L203 PolarHBondContact O-N 3.47Å; E201-V204 PolarHBondContact O-N 3.26Å; E201-R205 WeakPolarHBondContact O-CG 3.44Å; E201-R205 PolarHBondContact O-N 3.16Å; E201-R205 IonicContact OE2-NH2 2.65Å; E201-R205 PolarHBondContact OE2-NH2 2.68Å; E201-R241 HydrophobicContact CG-CB 4.18Å; E201-R241 WeakPolarHBondContact OE1-CB 3.47Å; E201-R241 WeakPolarHBondContact OE1-CD 3.09Å; E201-E245 HydrophobicContact CB-CB 4.48Å; E201-E245 HydrophobicContact CB-CG 4.36Å; E201-E245 HydrophobicContact CG-CB 4.41Å |
| 202 | K | 83.8 | Confident | 78.8 | Confident | 76 Ų | 76 | 44.3 Ų | 44.3 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -40.1 | 174.9 | -65.8 | -177 | 179.9 | 178.3 | 0 | 109.3 | F104 E199 R205 S206 | F104-K202 HydrophobicContact CE1-CB 3.96Å; F104-K202 HydrophobicContact CE2-CB 3.82Å; F104-K202 VanDerWaalsContact CZ-C 3.43Å; F104-K202 HydrophobicContact CZ-CB 3.41Å; F104-K202 VanDerWaalsContact CZ-CB 3.41Å; E199-K202 WeakPolarHBondContact O-CB 2.9Å; E199-K202 PolarHBondContact O-N 3.29Å; K202-R205 PolarHBondContact O-N 3.04Å; K202-S206 WeakPolarHBondContact O-CB 3.36Å; K202-S206 PolarHBondContact O-N 2.97Å; K202-S206 PolarHBondContact O-OG 3.12Å |
| 203 | L | 83.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 179.3 | 179.9 | 56.1 | 0 | 0 | 0 | 111.9 | F104 L108 A111 I112 L192 W196 E199 S200 E201 S206 L207 | F104-L203 HydrophobicContact CE2-CB 4.35Å; F104-L203 HydrophobicContact CZ-CB 4.3Å; L108-L203 HydrophobicContact CD2-CD1 3.2Å; L108-L203 HydrophobicContact CG-CD1 4.18Å; A111-L203 HydrophobicContact CB-CD1 4.25Å; A111-L203 HydrophobicContact CB-CD2 4.16Å; I112-L203 HydrophobicContact CD1-CD1 4.06Å; I112-L203 HydrophobicContact CG1-CD1 4.26Å; L192-L203 HydrophobicContact CD2-CB 4.45Å; L192-L203 HydrophobicContact CD2-CD2 3.32Å; L192-L203 HydrophobicContact CD2-CG 3.51Å; W196-L203 HydrophobicContact CD2-CD2 3.84Å; W196-L203 HydrophobicContact CG-CD2 3.74Å; W196-L203 VanDerWaalsContact NE1-CD2 3.3Å; E199-L203 PolarHBondContact O-N 2.92Å; S200-L203 WeakPolarHBondContact O-CB 3.09Å; S200-L203 PolarHBondContact O-N 3.2Å; E201-L203 PolarHBondContact O-N 3.47Å; L203-S206 PolarHBondContact O-N 3.45Å; L203-L207 WeakPolarHBondContact O-CB 3.33Å; L203-L207 PolarHBondContact O-N 2.86Å |
| 204 | V | 88.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 173 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L192 S200 E201 S206 L207 F208 I242 E245 F246 Q249 | L192-V204 HydrophobicContact CD1-CG2 4.5Å; S200-V204 WeakPolarHBondContact O-CG2 3.46Å; S200-V204 PolarHBondContact O-N 3.21Å; E201-V204 PolarHBondContact O-N 3.26Å; V204-S206 VanDerWaalsContact C-N 3.34Å; V204-S206 PolarHBondContact O-N 3.42Å; V204-L207 PolarHBondContact O-N 3.47Å; V204-F208 HydrophobicContact CG1-CD2 4.17Å; V204-F208 HydrophobicContact CG1-CE2 4.19Å; V204-F208 WeakPolarHBondContact O-CD2 3.44Å; V204-F208 PolarHBondContact O-N 3.39Å; V204-I242 HydrophobicContact CG2-CG2 3.85Å; V204-E245 HydrophobicContact CB-CG 4.1Å; V204-E245 HydrophobicContact CG1-CG 3.93Å; V204-F246 HydrophobicContact CG1-CB 4.29Å; V204-F246 HydrophobicContact CG1-CD2 4.24Å; V204-Q249 HydrophobicContact CG1-CG 4.08Å |
| 205 | R | 88.9 | Confident | 81.9 | Confident | 99 Ų | 99 | 53 Ų | 53 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 176.2 | -73.5 | -173.6 | -121.6 | 131.9 | 3.6 | 112.2 | E201 K202 F208 A209 E245 | E201-R205 WeakPolarHBondContact O-CG 3.44Å; E201-R205 PolarHBondContact O-N 3.16Å; E201-R205 IonicContact OE2-NH2 2.65Å; E201-R205 PolarHBondContact OE2-NH2 2.68Å; K202-R205 PolarHBondContact O-N 3.04Å; R205-F208 PolarHBondContact O-N 3.02Å; R205-A209 WeakPolarHBondContact O-CB 3.5Å; R205-A209 PolarHBondContact O-N 3.27Å; R205-E245 HydrophobicContact CG-CG 3.96Å; R205-E245 WeakPolarHBondContact CG-OE1 3.09Å; R205-E245 IonicContact CZ-OE2 3.27Å; R205-E245 IonicContact NE-OE1 3.61Å; R205-E245 IonicContact NE-OE2 3.96Å; R205-E245 PolarHBondContact NE-OE2 3.45Å; R205-E245 IonicContact NH2-OE2 3.79Å |
| 206 | S | 87.7 | Confident | 83.3 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -39 | -179.7 | -68.8 | 0 | 0 | 0 | 0 | 112.7 | F104 L108 K202 L203 V204 F208 A209 M210 | F104-S206 WeakPolarHBondContact CE1-OG 3.42Å; L108-S206 VanDerWaalsContact CD2-CB 3.41Å; K202-S206 WeakPolarHBondContact O-CB 3.36Å; K202-S206 PolarHBondContact O-N 2.97Å; K202-S206 PolarHBondContact O-OG 3.12Å; L203-S206 PolarHBondContact O-N 3.45Å; V204-S206 VanDerWaalsContact C-N 3.34Å; V204-S206 PolarHBondContact O-N 3.42Å; S206-F208 VanDerWaalsContact C-N 3.33Å; S206-F208 PolarHBondContact O-N 3.25Å; S206-A209 PolarHBondContact O-N 3.36Å; S206-M210 WeakPolarHBondContact O-CB 3.44Å; S206-M210 VanDerWaalsContact O-CG 3.23Å; S206-M210 WeakPolarHBondContact O-CG 3.09Å; S206-M210 PolarHBondContact O-N 3.31Å |
| 207 | L | 90.4 | Very high | 84.9 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.8 | -49 | 173.3 | 173.8 | 64.7 | 0 | 0 | 0 | 111.4 | I112 L185 V187 L203 V204 A211 I219 | I112-L207 HydrophobicContact CD1-CB 3.83Å; I112-L207 HydrophobicContact CD1-CD1 3.81Å; I112-L207 HydrophobicContact CD1-CG 4.43Å; I112-L207 HydrophobicContact CG1-CD1 4.07Å; I112-L207 HydrophobicContact CG2-CD1 3.87Å; L185-L207 HydrophobicContact CB-CD1 4.11Å; V187-L207 HydrophobicContact CB-CD2 4.48Å; V187-L207 HydrophobicContact CG1-CD2 3.71Å; L203-L207 WeakPolarHBondContact O-CB 3.33Å; L203-L207 PolarHBondContact O-N 2.86Å; V204-L207 PolarHBondContact O-N 3.47Å; L207-A211 WeakPolarHBondContact O-CB 3.24Å; L207-A211 PolarHBondContact O-N 3.03Å; L207-I219 HydrophobicContact CD1-CG2 4.26Å; L207-I219 HydrophobicContact CD2-CG2 3.81Å; L207-I219 HydrophobicContact CG-CD1 4.43Å; L207-I219 HydrophobicContact CG-CG2 4.1Å |
| 208 | F | 91.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.6 | -34.6 | 178.6 | -81.8 | -98.4 | 0 | 0 | 0 | 112.5 | V204 R205 S206 A211 R212 I219 F246 Q249 M250 V253 V262 | V204-F208 HydrophobicContact CG1-CD2 4.17Å; V204-F208 HydrophobicContact CG1-CE2 4.19Å; V204-F208 WeakPolarHBondContact O-CD2 3.44Å; V204-F208 PolarHBondContact O-N 3.39Å; R205-F208 PolarHBondContact O-N 3.02Å; S206-F208 VanDerWaalsContact C-N 3.33Å; S206-F208 PolarHBondContact O-N 3.25Å; F208-A211 PolarHBondContact O-N 3.24Å; F208-R212 VanDerWaalsContact O-CG 3.27Å; F208-R212 WeakPolarHBondContact O-CG 3.32Å; F208-R212 PolarHBondContact O-N 3.06Å; F208-I219 HydrophobicContact CD1-CD1 3.65Å; F208-I219 HydrophobicContact CD2-CD1 4.16Å; F208-I219 HydrophobicContact CE1-CD1 3.8Å; F208-I219 HydrophobicContact CE2-CD1 4.29Å; F208-I219 HydrophobicContact CG-CD1 3.87Å; F208-I219 HydrophobicContact CZ-CD1 4.13Å; F208-F246 AromaticContact CE2-CD2 3.87Å; F208-F246 HydrophobicContact CE2-CD2 3.87Å; F208-F246 AromaticContact CE2-CE2 3.77Å; F208-F246 HydrophobicContact CE2-CE2 3.77Å; F208-F246 HydrophobicContact CZ-CD2 4.16Å; F208-F246 AromaticContact CZ-CE2 3.73Å; F208-F246 HydrophobicContact CZ-CE2 3.73Å; F208-Q249 HydrophobicContact CB-CB 4.25Å; F208-Q249 HydrophobicContact CB-CG 4.21Å; F208-Q249 HydrophobicContact CD1-CB 3.74Å; F208-Q249 HydrophobicContact CD2-CB 3.59Å; F208-Q249 HydrophobicContact CD2-CG 3.91Å; F208-Q249 HydrophobicContact CE1-CB 3.84Å; F208-Q249 HydrophobicContact CE2-CB 3.71Å; F208-Q249 HydrophobicContact CE2-CG 4.39Å; F208-Q249 HydrophobicContact CG-CB 3.6Å; F208-Q249 HydrophobicContact CG-CG 4Å; F208-Q249 HydrophobicContact CZ-CB 3.82Å; F208-M250 HydrophobicContact CE1-SD 4.31Å; F208-M250 HydrophobicContact CZ-CG 4.22Å; F208-M250 HydrophobicContact CZ-SD 4.03Å; F208-V253 HydrophobicContact CD1-CG2 3.48Å; F208-V253 VanDerWaalsContact CD1-CG2 3.48Å; F208-V253 HydrophobicContact CE1-CG2 3.56Å; F208-V262 HydrophobicContact CE1-CG2 3.96Å; F208-V262 HydrophobicContact CZ-CG2 4.25Å |
| 209 | A | 90 | Very high | 88.1 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 30% | 0.298 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.5 | -48.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R205 S206 A211 R212 E213 | R205-A209 WeakPolarHBondContact O-CB 3.5Å; R205-A209 PolarHBondContact O-N 3.27Å; S206-A209 PolarHBondContact O-N 3.36Å; A209-A211 VanDerWaalsContact C-N 3.3Å; A209-A211 PolarHBondContact O-N 3.31Å; A209-R212 WeakPolarHBondContact O-CB 3.39Å; A209-R212 PolarHBondContact O-N 2.77Å; A209-E213 WeakPolarHBondContact O-CG 3.22Å; A209-E213 PolarHBondContact O-N 3.23Å |
| 210 | M | 89.7 | Confident | 89.1 | Confident | 40 Ų | 40 | 37.1 Ų | 37.1 | 20% | 0.197 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | 175.3 | -71.8 | 173.9 | 66.4 | 0 | 0 | 111.7 | I112 L185 S206 R212 E213 Q214 | I112-M210 HydrophobicContact CD1-SD 3.89Å; I112-M210 HydrophobicContact CG2-CE 4.49Å; L185-M210 HydrophobicContact CD1-CB 4.39Å; L185-M210 HydrophobicContact CD2-CE 4.43Å; S206-M210 WeakPolarHBondContact O-CB 3.44Å; S206-M210 VanDerWaalsContact O-CG 3.23Å; S206-M210 WeakPolarHBondContact O-CG 3.09Å; S206-M210 PolarHBondContact O-N 3.31Å; M210-R212 VanDerWaalsContact C-N 3.31Å; M210-R212 PolarHBondContact O-N 3.05Å; M210-E213 PolarHBondContact O-N 3.4Å; M210-Q214 WeakPolarHBondContact O-CB 3.43Å; M210-Q214 WeakPolarHBondContact O-CG 3.45Å; M210-Q214 PolarHBondContact O-N 3.32Å |
| 211 | A | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L185 L207 F208 A209 E213 Q214 S217 I219 V260 | L185-A211 HydrophobicContact CD1-CB 3.55Å; L207-A211 WeakPolarHBondContact O-CB 3.24Å; L207-A211 PolarHBondContact O-N 3.03Å; F208-A211 PolarHBondContact O-N 3.24Å; A209-A211 VanDerWaalsContact C-N 3.3Å; A209-A211 PolarHBondContact O-N 3.31Å; A211-E213 VanDerWaalsContact C-N 3.32Å; A211-Q214 PolarHBondContact O-N 3.49Å; A211-S217 PolarHBondContact O-OG 3.27Å; A211-I219 HydrophobicContact CB-CD1 3.56Å; A211-I219 HydrophobicContact CB-CG1 3.57Å; A211-V260 HydrophobicContact CB-CG1 3.94Å; A211-V260 HydrophobicContact CB-CG2 4.31Å |
| 212 | R | 90.2 | Very high | 90.3 | Very high | 63 Ų | 63 | 36.8 Ų | 36.8 | 24% | 0.238 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.3 | -31.3 | 176.1 | -68.8 | 170.5 | -170.4 | 119.5 | 3.6 | 112.7 | F208 A209 M210 K215 Q249 E258 V260 | F208-R212 VanDerWaalsContact O-CG 3.27Å; F208-R212 WeakPolarHBondContact O-CG 3.32Å; F208-R212 PolarHBondContact O-N 3.06Å; A209-R212 WeakPolarHBondContact O-CB 3.39Å; A209-R212 PolarHBondContact O-N 2.77Å; M210-R212 VanDerWaalsContact C-N 3.31Å; M210-R212 PolarHBondContact O-N 3.05Å; R212-K215 VanDerWaalsContact CA-CE 3.48Å; R212-K215 WeakPolarHBondContact O-CD 3.2Å; R212-K215 WeakPolarHBondContact O-CE 3.32Å; R212-K215 VanDerWaalsContact O-CG 3.28Å; R212-K215 WeakPolarHBondContact O-CG 3.28Å; R212-Q249 VanDerWaalsContact NH1-OE1 3.08Å; R212-E258 VanDerWaalsContact CD-OE2 3.29Å; R212-E258 WeakPolarHBondContact CD-OE2 3.37Å; R212-E258 VanDerWaalsContact CG-OE2 3.3Å; R212-E258 WeakPolarHBondContact CG-OE2 3.29Å; R212-E258 IonicContact CZ-OE2 3.98Å; R212-E258 IonicContact NE-OE1 3.01Å; R212-E258 PolarHBondContact NE-OE1 3.27Å; R212-E258 IonicContact NE-OE2 2.89Å; R212-E258 PolarHBondContact NE-OE2 3.1Å; R212-E258 IonicContact NH2-OE2 2.77Å; R212-V260 HydrophobicContact CG-CG2 4.33Å |
| 213 | E | 90.2 | Very high | 90.6 | Very high | 157 Ų | 157 | 37 Ų | 37 | 73% | 0.734 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -74.8 | -31.3 | 176.3 | -70.4 | 169.9 | -172.4 | 0 | 0 | 112.1 | A209 M210 A211 | A209-E213 WeakPolarHBondContact O-CG 3.22Å; A209-E213 PolarHBondContact O-N 3.23Å; M210-E213 PolarHBondContact O-N 3.4Å; A211-E213 VanDerWaalsContact C-N 3.32Å |
| 214 | Q | 88.6 | Confident | 91 | Very high | 62 Ų | 62 | 37 Ų | 37 | 29% | 0.29 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 29.8 | -171.7 | -62.1 | -179.7 | 5.2 | 0 | 0 | 114.3 | T183 M210 A211 P216 | T183-Q214 HydrophobicContact CG2-CB 4.21Å; T183-Q214 PolarHBondContact OG1-O 2.69Å; M210-Q214 WeakPolarHBondContact O-CB 3.43Å; M210-Q214 WeakPolarHBondContact O-CG 3.45Å; M210-Q214 PolarHBondContact O-N 3.32Å; A211-Q214 PolarHBondContact O-N 3.49Å; Q214-P216 CarbonylContact O-C 3.58Å |
| 215 | K | 86.5 | Confident | 91 | Very high | 92 Ų | 92 | 38.6 Ų | 38.6 | 40% | 0.4 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -61.9 | 145.1 | -177.8 | -65.1 | 165.3 | -176.6 | -168.9 | 0 | 112.3 | R212 E258 V260 | R212-K215 VanDerWaalsContact CA-CE 3.48Å; R212-K215 WeakPolarHBondContact O-CD 3.2Å; R212-K215 WeakPolarHBondContact O-CE 3.32Å; R212-K215 VanDerWaalsContact O-CG 3.28Å; R212-K215 WeakPolarHBondContact O-CG 3.28Å; K215-E258 WeakPolarHBondContact CD-O 3.45Å; K215-E258 WeakPolarHBondContact CE-O 3.45Å; K215-E258 VanDerWaalsContact CG-O 3.31Å; K215-E258 WeakPolarHBondContact CG-O 3.3Å; K215-E258 PolarHBondContact NZ-O 3.16Å; K215-V260 HydrophobicContact CG-CG2 4.29Å |
| 216 | P | 89.3 | Confident | 90.7 | Very high | 56 Ų | 56 | 36.2 Ų | 36.2 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | S | Bend | cis | -70.4 | 138.1 | -8.8 | 32.3 | -35.4 | 0 | 0 | 0 | 110.7 | S182 T183 Q214 | S182-P216 WeakPolarHBondContact CA-O 3.5Å; S182-P216 WeakPolarHBondContact CB-O 3.37Å; S182-P216 WeakPolarHBondContact OG-CB 3.37Å; T183-P216 PolarHBondContact N-O 2.8Å; Q214-P216 CarbonylContact O-C 3.58Å |
| 217 | S | 92.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 150.5 | -174.4 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | T183 A211 N259 V260 L261 | T183-S217 CarbonylContact O-C 3.55Å; T183-S217 VanDerWaalsContact O-CA 3.27Å; T183-S217 WeakPolarHBondContact O-CA 3.47Å; A211-S217 PolarHBondContact O-OG 3.27Å; S217-N259 PolarHBondContact N-O 2.7Å; S217-V260 WeakPolarHBondContact O-CA 3.43Å; S217-L261 PolarHBondContact O-N 3.47Å; S217-L261 VanDerWaalsContact O-N 3.1Å |
| 218 | I | 94.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.9 | 174.1 | -57.2 | -170.5 | 0 | 0 | 0 | 107.7 | V175 A176 A179 T183 F184 L185 L261 L263 | V175-I218 HydrophobicContact CG1-CD1 3.86Å; A176-I218 HydrophobicContact CB-CD1 3.88Å; A179-I218 HydrophobicContact CB-CD1 4.22Å; T183-I218 PolarHBondContact O-N 3.27Å; F184-I218 HydrophobicContact CD2-CB 4.18Å; F184-I218 HydrophobicContact CD2-CG2 4.15Å; F184-I218 HydrophobicContact CE2-CG2 4.25Å; L185-I218 PolarHBondContact N-O 3.07Å; I218-L261 CarbonylContact C-O 3.57Å; I218-L261 WeakPolarHBondContact CA-O 3.16Å; I218-L261 HydrophobicContact CD1-CD2 4.14Å; I218-L261 HydrophobicContact CG1-CB 4.34Å; I218-L261 HydrophobicContact CG1-CD2 4.37Å; I218-L263 HydrophobicContact CG2-CB 4.3Å; I218-L263 HydrophobicContact CG2-CD1 3.73Å; I218-L263 HydrophobicContact CG2-CG 3.75Å |
| 219 | I | 95.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124.6 | 166.4 | -58.7 | 174.7 | 0 | 0 | 0 | 107.2 | L185 L207 F208 A211 I221 V260 L261 V262 L263 | L185-I219 CarbonylContact O-C 3.57Å; L185-I219 WeakPolarHBondContact O-CA 3.4Å; L207-I219 HydrophobicContact CD1-CG2 4.26Å; L207-I219 HydrophobicContact CD2-CG2 3.81Å; L207-I219 HydrophobicContact CG-CD1 4.43Å; L207-I219 HydrophobicContact CG-CG2 4.1Å; F208-I219 HydrophobicContact CD1-CD1 3.65Å; F208-I219 HydrophobicContact CD2-CD1 4.16Å; F208-I219 HydrophobicContact CE1-CD1 3.8Å; F208-I219 HydrophobicContact CE2-CD1 4.29Å; F208-I219 HydrophobicContact CG-CD1 3.87Å; F208-I219 HydrophobicContact CZ-CD1 4.13Å; A211-I219 HydrophobicContact CB-CD1 3.56Å; A211-I219 HydrophobicContact CB-CG1 3.57Å; I219-I221 HydrophobicContact CG2-CD1 4.29Å; I219-I221 HydrophobicContact CG2-CG1 4.1Å; I219-V260 HydrophobicContact CD1-CG1 3.96Å; I219-V260 HydrophobicContact CG1-CG1 4.13Å; I219-L261 PolarHBondContact N-O 3.42Å; I219-V262 HydrophobicContact CB-CG1 4.46Å; I219-V262 HydrophobicContact CB-CG2 4.35Å; I219-V262 HydrophobicContact CD1-CG2 4.32Å; I219-V262 WeakPolarHBondContact O-CA 3.29Å; I219-L263 PolarHBondContact O-N 3.02Å |
| 220 | F | 96.1 | Very high | 86.6 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.5 | 172.9 | 179.7 | -109.4 | 0 | 0 | 0 | 110.9 | A172 F184 L185 S186 V187 D222 L263 A265 | A172-F220 HydrophobicContact CB-CD2 3.51Å; A172-F220 HydrophobicContact CB-CE2 3.51Å; A172-F220 HydrophobicContact CB-CG 4.19Å; A172-F220 HydrophobicContact CB-CZ 4.2Å; F184-F220 HydrophobicContact CD2-CB 4.38Å; F184-F220 HydrophobicContact CE1-CB 3.97Å; F184-F220 HydrophobicContact CE1-CD1 4.22Å; F184-F220 HydrophobicContact CE1-CG 4.33Å; F184-F220 HydrophobicContact CE2-CB 3.47Å; F184-F220 VanDerWaalsContact CE2-CB 3.47Å; F184-F220 HydrophobicContact CE2-CG 4.04Å; F184-F220 HydrophobicContact CZ-CB 3.23Å; F184-F220 AromaticContact CZ-CD1 3.71Å; F184-F220 HydrophobicContact CZ-CD1 3.71Å; F184-F220 HydrophobicContact CZ-CD2 4.27Å; F184-F220 AromaticContact CZ-CG 3.47Å; F184-F220 HydrophobicContact CZ-CG 3.47Å; F184-F220 VanDerWaalsContact CZ-CG 3.47Å; L185-F220 PolarHBondContact O-N 3.38Å; S186-F220 WeakPolarHBondContact CA-O 3.14Å; V187-F220 PolarHBondContact N-O 3.36Å; F220-D222 HydrophobicContact CD1-CB 4.49Å; F220-D222 HydrophobicContact CE1-CB 3.71Å; F220-D222 HydrophobicContact CZ-CB 4.16Å; F220-L263 CarbonylContact C-O 3.49Å; F220-L263 VanDerWaalsContact CA-O 3.28Å; F220-L263 WeakPolarHBondContact CA-O 3.49Å; F220-L263 HydrophobicContact CD2-CB 3.86Å; F220-A265 HydrophobicContact CE2-CB 3.75Å; F220-A265 HydrophobicContact CZ-CB 3.62Å |
| 221 | I | 94.3 | Very high | 85.2 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 107.4 | 177.3 | -63.5 | 164.1 | 0 | 0 | 0 | 108.3 | V187 S189 I219 V224 F246 V262 L263 A264 A265 | V187-I221 HydrophobicContact CG1-CG1 3.81Å; S189-I221 WeakPolarHBondContact OG-CG2 3.47Å; I219-I221 HydrophobicContact CG2-CD1 4.29Å; I219-I221 HydrophobicContact CG2-CG1 4.1Å; I221-V224 HydrophobicContact CG2-CB 4.04Å; I221-V224 HydrophobicContact CG2-CG2 4.09Å; I221-F246 HydrophobicContact CD1-CD2 4.22Å; I221-F246 HydrophobicContact CD1-CE2 3.18Å; I221-F246 HydrophobicContact CD1-CZ 3.46Å; I221-F246 VanDerWaalsContact CD1-CZ 3.46Å; I221-V262 HydrophobicContact CD1-CG1 4.23Å; I221-L263 PolarHBondContact N-O 2.85Å; I221-A264 CarbonylContact O-C 3.51Å; I221-A264 VanDerWaalsContact O-CA 3.3Å; I221-A264 WeakPolarHBondContact O-CA 3.43Å; I221-A265 PolarHBondContact O-N 3.46Å |
| 222 | D | 93.6 | Very high | 83.6 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 151.7 | 174.3 | -143.4 | -19.6 | 0 | 0 | 0 | 110.8 | S169 V187 S189 F220 V224 | S169-D222 PolarHBondContact OG-OD2 3.02Å; V187-D222 PolarHBondContact O-N 3.16Å; V187-D222 VanDerWaalsContact O-N 3.09Å; S189-D222 VanDerWaalsContact CB-O 3.27Å; S189-D222 WeakPolarHBondContact CB-O 3.49Å; S189-D222 PolarHBondContact N-O 2.94Å; S189-D222 VanDerWaalsContact N-O 3.11Å; S189-D222 PolarHBondContact OG-O 2.95Å; F220-D222 HydrophobicContact CD1-CB 4.49Å; F220-D222 HydrophobicContact CE1-CB 3.71Å; F220-D222 HydrophobicContact CZ-CB 4.16Å; D222-V224 VanDerWaalsContact C-N 3.29Å; D222-V224 PolarHBondContact O-N 3.25Å |
| 223 | E | 91 | Very high | 82.1 | Confident | 82 Ų | 82 | 55.2 Ų | 55.2 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 46.4 | -179.4 | -57.4 | -174.6 | 155.2 | 0 | 0 | 113.7 | S189 D225 S226 A265 | S189-E223 WeakPolarHBondContact CB-O 3.4Å; S189-E223 PolarHBondContact OG-O 2.95Å; E223-D225 VanDerWaalsContact C-OD1 3.32Å; E223-D225 PolarHBondContact O-N 3.19Å; E223-S226 WeakPolarHBondContact O-CB 3.48Å; E223-S226 PolarHBondContact O-N 3.07Å; E223-S226 PolarHBondContact O-OG 2.73Å; E223-A265 WeakPolarHBondContact CA-O 3.48Å; E223-A265 PolarHBondContact N-O 2.57Å; E223-A265 VanDerWaalsContact N-O 3.09Å |
| 224 | V | 91.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.3 | -27.1 | -172.9 | 68 | 0 | 0 | 0 | 0 | 113.2 | L159 S189 I221 D222 S226 L227 C228 A264 A265 T266 L272 F280 | L159-V224 HydrophobicContact CD1-CG1 3.92Å; S189-V224 WeakPolarHBondContact OG-CA 3.27Å; I221-V224 HydrophobicContact CG2-CB 4.04Å; I221-V224 HydrophobicContact CG2-CG2 4.09Å; D222-V224 VanDerWaalsContact C-N 3.29Å; D222-V224 PolarHBondContact O-N 3.25Å; V224-S226 PolarHBondContact O-N 3.24Å; V224-L227 PolarHBondContact O-N 3.17Å; V224-C228 HydrophobicContact CG2-CB 4.12Å; V224-C228 WeakPolarHBondContact O-CB 3.47Å; V224-C228 PolarHBondContact O-N 3.06Å; V224-C228 PolarHBondContact O-SG 3.35Å; V224-C228 VanDerWaalsContact O-SG 3.4Å; V224-A264 HydrophobicContact CB-CB 4.08Å; V224-A264 HydrophobicContact CG1-CB 4Å; V224-A264 HydrophobicContact CG2-CB 4.31Å; V224-A265 PolarHBondContact N-O 3.45Å; V224-T266 HydrophobicContact CG1-CG2 4.49Å; V224-L272 HydrophobicContact CG1-CD1 4.07Å; V224-L272 HydrophobicContact CG2-CD1 4.41Å; V224-F280 HydrophobicContact CG2-CE2 4.45Å |
| 225 | D | 88.3 | Confident | 80.1 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -27.9 | 174.3 | 48.3 | -53.5 | 0 | 0 | 0 | 114.1 | E223 L227 C228 G229 T266 T268 T271 | E223-D225 VanDerWaalsContact C-OD1 3.32Å; E223-D225 PolarHBondContact O-N 3.19Å; D225-L227 VanDerWaalsContact C-N 3.35Å; D225-C228 PolarHBondContact O-N 3.12Å; D225-G229 VanDerWaalsContact O-CA 3.28Å; D225-G229 WeakPolarHBondContact O-CA 3.39Å; D225-G229 PolarHBondContact O-N 3.5Å; D225-T266 WeakPolarHBondContact OD1-CB 3.11Å; D225-T266 PolarHBondContact OD1-OG1 3.26Å; D225-T268 PolarHBondContact OD2-OG1 2.85Å; D225-T271 WeakPolarHBondContact CB-OG1 3.39Å |
| 226 | S | 82.2 | Confident | 79.6 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 34% | 0.343 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.9 | -32.1 | 177.5 | 65.2 | 0 | 0 | 0 | 0 | 113 | S189 E223 V224 | S189-S226 WeakPolarHBondContact CB-OG 3.3Å; E223-S226 WeakPolarHBondContact O-CB 3.48Å; E223-S226 PolarHBondContact O-N 3.07Å; E223-S226 PolarHBondContact O-OG 2.73Å; V224-S226 PolarHBondContact O-N 3.24Å |
| 227 | L | 76.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -85 | -38.1 | 173 | -173.9 | 69.8 | 0 | 0 | 0 | 111.7 | L192 V193 V224 D225 I242 K243 | L192-L227 HydrophobicContact CB-CD1 4.38Å; L192-L227 HydrophobicContact CD1-CD2 3.92Å; V193-L227 HydrophobicContact CG2-CD1 3.45Å; V193-L227 VanDerWaalsContact CG2-CD1 3.45Å; V224-L227 PolarHBondContact O-N 3.17Å; D225-L227 VanDerWaalsContact C-N 3.35Å; L227-I242 HydrophobicContact CD1-CB 4.29Å; L227-I242 HydrophobicContact CD1-CG2 3.64Å; L227-I242 HydrophobicContact CD2-CG2 4.3Å; L227-I242 HydrophobicContact CG-CG2 4.37Å; L227-K243 WeakPolarHBondContact O-CE 3.45Å; L227-K243 WeakPolarHBondContact O-CG 3.39Å |
| 228 | C | 71.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -113.1 | 11.2 | -159.6 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | V224 D225 L272 D273 I276 | V224-C228 HydrophobicContact CG2-CB 4.12Å; V224-C228 WeakPolarHBondContact O-CB 3.47Å; V224-C228 PolarHBondContact O-N 3.06Å; V224-C228 PolarHBondContact O-SG 3.35Å; V224-C228 VanDerWaalsContact O-SG 3.4Å; D225-C228 PolarHBondContact O-N 3.12Å; C228-L272 HydrophobicContact CB-CD1 3.42Å; C228-L272 VanDerWaalsContact CB-CD1 3.42Å; C228-D273 WeakPolarHBondContact O-CB 3.47Å; C228-D273 PolarHBondContact O-N 2.85Å; C228-I276 HydrophobicContact CB-CB 4.42Å; C228-I276 HydrophobicContact CB-CD1 3.41Å; C228-I276 VanDerWaalsContact CB-CD1 3.41Å; C228-I276 HydrophobicContact CB-CG1 4.45Å; C228-I276 HydrophobicContact CB-CG2 4.04Å; C228-I276 WeakPolarHBondContact SG-CD1 3.43Å |
| 229 | G | 66.7 | Low | 77.7 | Confident | 9 Ų | 9 | 58 Ų | 58 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 146 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D225 R231 K243 T271 | D225-G229 VanDerWaalsContact O-CA 3.28Å; D225-G229 WeakPolarHBondContact O-CA 3.39Å; D225-G229 PolarHBondContact O-N 3.5Å; G229-R231 PolarHBondContact O-N 3.28Å; G229-K243 PolarHBondContact O-NZ 3.21Å; G229-T271 CarbonylContact C-O 3.56Å; G229-T271 WeakPolarHBondContact CA-O 3.42Å |
| 230 | S | 59.9 | Low | 77.1 | Confident | 68 Ų | 68 | 64 Ų | 64 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | trans | -69.2 | 91.9 | 171.4 | 48.1 | 0 | 0 | 0 | 0 | 109.5 | T271 | S230-T271 PolarHBondContact N-O 2.99Å; S230-T271 PolarHBondContact OG-O 2.95Å | ||
| 231 | R | 60 | Low | 76.6 | Confident | 186 Ų | 186 | 69.7 Ų | 69.7 | 70% | 0.702 | 35% | 0.352 | S | S | * | . | trans | -106.5 | 113.1 | 174.9 | -73.8 | -171.9 | 174 | -175.5 | 0.1 | 109.7 | G229 E235 | G229-R231 PolarHBondContact O-N 3.28Å; R231-E235 HydrophobicContact CB-CB 4.46Å | ||
| 232 | N | 58.2 | Low | 76.1 | Confident | 149 Ų | 149 | 69.8 Ų | 69.8 | 80% | 0.797 | 35% | 0.352 | S | S | * | . | trans | -70.8 | 145.9 | 175.2 | -70.1 | -15.9 | 0 | 0 | 0 | 111.4 | N234 | N232-N234 PolarHBondContact O-N 3.46Š| ||
| 233 | D | 57.8 | Low | 75.8 | Confident | 158 Ų | 158 | 68.7 Ų | 68.7 | 85% | 0.845 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 41.9 | -35.6 | 176.5 | -66.3 | -12.6 | 0 | 0 | 0 | 121 | ||
| 234 | N | 66 | Low | 75.8 | Confident | 157 Ų | 157 | 68.8 Ų | 68.8 | 84% | 0.84 | 35% | 0.352 | S | S | * | . | trans | -102.9 | 20.5 | -177.9 | -71.8 | -23.6 | 0 | 0 | 0 | 113.8 | N232 S236 | N232-N234 PolarHBondContact O-N 3.46Å; N234-S236 PolarHBondContact O-N 3.28Å | ||
| 235 | E | 71.5 | Confident | 75.7 | Confident | 34 Ų | 34 | 70.1 Ų | 70.1 | 16% | 0.159 | 36% | 0.358 | C | S | . | . | trans | -66.9 | 122.2 | 175.8 | -170.1 | -177.5 | -161.2 | 0 | 0 | 110.5 | R231 E237 T239 R240 K243 | R231-E235 HydrophobicContact CB-CB 4.46Å; E235-E237 PolarHBondContact O-N 2.76Å; E235-T239 HydrophobicContact CG-CG2 4.21Å; E235-R240 HydrophobicContact CG-CG 3.93Å; E235-R240 WeakPolarHBondContact OE2-CG 3.28Å; E235-R240 IonicContact OE2-NE 2.65Å; E235-R240 PolarHBondContact OE2-NE 3.46Å; E235-R240 VanDerWaalsContact OE2-NE 3.17Å; E235-K243 WeakPolarHBondContact OE1-CD 3.43Å; E235-K243 VanDerWaalsContact OE1-CE 3.22Å; E235-K243 WeakPolarHBondContact OE1-CE 3.47Å; E235-K243 IonicContact OE1-NZ 2.67Å; E235-K243 PolarHBondContact OE1-NZ 2.9Å | ||
| 236 | S | 74.8 | Confident | 75.8 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 42% | 0.42 | 35% | 0.35 | S | S | . | . | trans | -57.6 | 138.9 | 174.7 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | N234 S238 T239 R240 | N234-S236 PolarHBondContact O-N 3.28Å; S236-S238 PolarHBondContact O-N 2.81Å; S236-S238 PolarHBondContact OG-N 3.04Å; S236-S238 PolarHBondContact OG-OG 2.95Å; S236-T239 WeakPolarHBondContact O-CB 3.39Å; S236-T239 PolarHBondContact O-N 2.58Å; S236-R240 PolarHBondContact O-N 3.07Å | ||
| 237 | E | 79.5 | Confident | 76.2 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 58% | 0.575 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -53.5 | -36.5 | 173.3 | -165.1 | -171.1 | 172.4 | 0 | 0 | 111.3 | E235 T239 R240 R241 | E235-E237 PolarHBondContact O-N 2.76Å; E237-T239 PolarHBondContact O-N 3.46Å; E237-R240 PolarHBondContact O-N 3.16Å; E237-R241 VanDerWaalsContact CD-NH2 3.35Å; E237-R241 WeakPolarHBondContact O-CG 3.36Å; E237-R241 PolarHBondContact O-N 2.9Å; E237-R241 IonicContact OE1-CZ 2.63Å; E237-R241 IonicContact OE1-NE 2.69Å; E237-R241 PolarHBondContact OE1-NE 3.4Å; E237-R241 IonicContact OE1-NH2 3.73Å; E237-R241 PolarHBondContact OE1-NH2 3.45Å; E237-R241 IonicContact OE2-NH2 3.17Å |
| 238 | S | 77.8 | Confident | 76.9 | Confident | 33 Ų | 33 | 72 Ų | 72 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 175.6 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | S236 R240 R241 I242 | S236-S238 PolarHBondContact O-N 2.81Å; S236-S238 PolarHBondContact OG-N 3.04Å; S236-S238 PolarHBondContact OG-OG 2.95Å; S238-R240 VanDerWaalsContact C-N 3.33Å; S238-R240 PolarHBondContact O-N 2.97Å; S238-R241 PolarHBondContact O-N 3.31Å; S238-I242 WeakPolarHBondContact O-CD1 3.49Å; S238-I242 WeakPolarHBondContact O-CG1 3.16Å; S238-I242 PolarHBondContact O-N 3.19Å; S238-I242 VanDerWaalsContact O-N 3.09Å |
| 239 | T | 79 | Confident | 77.9 | Confident | 25 Ų | 25 | 73.2 Ų | 73.2 | 15% | 0.153 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 178.5 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | E235 S236 E237 R241 I242 K243 | E235-T239 HydrophobicContact CG-CG2 4.21Å; S236-T239 WeakPolarHBondContact O-CB 3.39Å; S236-T239 PolarHBondContact O-N 2.58Å; E237-T239 PolarHBondContact O-N 3.46Å; T239-R241 PolarHBondContact O-N 3.03Å; T239-I242 PolarHBondContact O-N 3.44Å; T239-K243 HydrophobicContact CG2-CD 4.5Å; T239-K243 WeakPolarHBondContact O-CG 3.28Å; T239-K243 PolarHBondContact O-N 3.45Å |
| 240 | R | 82.3 | Confident | 79 | Confident | 125 Ų | 125 | 72.8 Ų | 72.8 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 177.2 | -70.3 | -177.9 | 178.6 | 168.2 | 5.5 | 112.4 | E235 S236 E237 S238 K243 T244 | E235-R240 HydrophobicContact CG-CG 3.93Å; E235-R240 WeakPolarHBondContact OE2-CG 3.28Å; E235-R240 IonicContact OE2-NE 2.65Å; E235-R240 PolarHBondContact OE2-NE 3.46Å; E235-R240 VanDerWaalsContact OE2-NE 3.17Å; S236-R240 PolarHBondContact O-N 3.07Å; E237-R240 PolarHBondContact O-N 3.16Å; S238-R240 VanDerWaalsContact C-N 3.33Å; S238-R240 PolarHBondContact O-N 2.97Å; R240-K243 PolarHBondContact O-N 2.7Å; R240-T244 WeakPolarHBondContact O-CB 3.3Å; R240-T244 PolarHBondContact O-N 3.43Å; R240-T244 PolarHBondContact O-OG1 3.05Å |
| 241 | R | 85.7 | Confident | 80.2 | Confident | 126 Ų | 126 | 73.6 Ų | 73.6 | 48% | 0.475 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 179.2 | -62.2 | 177 | -174.7 | -172.6 | 0.1 | 111.6 | E201 E237 S238 T239 T244 E245 | E201-R241 HydrophobicContact CG-CB 4.18Å; E201-R241 WeakPolarHBondContact OE1-CB 3.47Å; E201-R241 WeakPolarHBondContact OE1-CD 3.09Å; E237-R241 VanDerWaalsContact CD-NH2 3.35Å; E237-R241 WeakPolarHBondContact O-CG 3.36Å; E237-R241 PolarHBondContact O-N 2.9Å; E237-R241 IonicContact OE1-CZ 2.63Å; E237-R241 IonicContact OE1-NE 2.69Å; E237-R241 PolarHBondContact OE1-NE 3.4Å; E237-R241 IonicContact OE1-NH2 3.73Å; E237-R241 PolarHBondContact OE1-NH2 3.45Å; E237-R241 IonicContact OE2-NH2 3.17Å; S238-R241 PolarHBondContact O-N 3.31Å; T239-R241 PolarHBondContact O-N 3.03Å; R241-T244 WeakPolarHBondContact O-CB 3.46Å; R241-T244 PolarHBondContact O-N 3.2Å; R241-E245 PolarHBondContact O-N 3.02Å |
| 242 | I | 85.4 | Confident | 81.2 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 176.8 | -55.6 | 158.7 | 0 | 0 | 0 | 111.5 | S200 V204 L227 S238 T239 T244 E245 F246 | S200-I242 WeakPolarHBondContact OG-CD1 3.18Å; V204-I242 HydrophobicContact CG2-CG2 3.85Å; L227-I242 HydrophobicContact CD1-CB 4.29Å; L227-I242 HydrophobicContact CD1-CG2 3.64Å; L227-I242 HydrophobicContact CD2-CG2 4.3Å; L227-I242 HydrophobicContact CG-CG2 4.37Å; S238-I242 WeakPolarHBondContact O-CD1 3.49Å; S238-I242 WeakPolarHBondContact O-CG1 3.16Å; S238-I242 PolarHBondContact O-N 3.19Å; S238-I242 VanDerWaalsContact O-N 3.09Å; T239-I242 PolarHBondContact O-N 3.44Å; I242-T244 VanDerWaalsContact C-N 3.28Å; I242-T244 PolarHBondContact O-N 3.36Å; I242-E245 PolarHBondContact O-N 3.48Å; I242-F246 WeakPolarHBondContact O-CB 3.1Å; I242-F246 PolarHBondContact O-N 3.35Å |
| 243 | K | 87 | Confident | 82.1 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 174.4 | -74.6 | 176.7 | 177.8 | 176.7 | 0 | 111.8 | L227 G229 E235 T239 R240 F246 L247 I276 | L227-K243 WeakPolarHBondContact O-CE 3.45Å; L227-K243 WeakPolarHBondContact O-CG 3.39Å; G229-K243 PolarHBondContact O-NZ 3.21Å; E235-K243 WeakPolarHBondContact OE1-CD 3.43Å; E235-K243 VanDerWaalsContact OE1-CE 3.22Å; E235-K243 WeakPolarHBondContact OE1-CE 3.47Å; E235-K243 IonicContact OE1-NZ 2.67Å; E235-K243 PolarHBondContact OE1-NZ 2.9Å; T239-K243 HydrophobicContact CG2-CD 4.5Å; T239-K243 WeakPolarHBondContact O-CG 3.28Å; T239-K243 PolarHBondContact O-N 3.45Å; R240-K243 PolarHBondContact O-N 2.7Å; K243-F246 PolarHBondContact O-N 2.77Å; K243-L247 WeakPolarHBondContact O-CB 2.88Å; K243-L247 WeakPolarHBondContact O-CG 3.02Å; K243-L247 PolarHBondContact O-N 2.68Å; K243-I276 HydrophobicContact CB-CD1 4.31Å; K243-I276 HydrophobicContact CG-CD1 4.09Å |
| 244 | T | 89.4 | Confident | 82.5 | Confident | 84 Ų | 84 | 53.1 Ų | 53.1 | 52% | 0.515 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 178.5 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | R240 R241 I242 F246 L247 V248 | R240-T244 WeakPolarHBondContact O-CB 3.3Å; R240-T244 PolarHBondContact O-N 3.43Å; R240-T244 PolarHBondContact O-OG1 3.05Å; R241-T244 WeakPolarHBondContact O-CB 3.46Å; R241-T244 PolarHBondContact O-N 3.2Å; I242-T244 VanDerWaalsContact C-N 3.28Å; I242-T244 PolarHBondContact O-N 3.36Å; T244-F246 VanDerWaalsContact C-N 3.34Å; T244-F246 PolarHBondContact O-N 2.95Å; T244-L247 PolarHBondContact O-N 3.49Å; T244-V248 WeakPolarHBondContact O-CG2 3.47Å; T244-V248 PolarHBondContact O-N 3.27Å |
| 245 | E | 90.6 | Very high | 82.7 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 13% | 0.131 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.9 | -178.4 | 62.8 | -124.2 | 0 | 0 | 111.4 | E201 V204 R205 R241 I242 L247 V248 Q249 | E201-E245 HydrophobicContact CB-CB 4.48Å; E201-E245 HydrophobicContact CB-CG 4.36Å; E201-E245 HydrophobicContact CG-CB 4.41Å; V204-E245 HydrophobicContact CB-CG 4.1Å; V204-E245 HydrophobicContact CG1-CG 3.93Å; R205-E245 HydrophobicContact CG-CG 3.96Å; R205-E245 WeakPolarHBondContact CG-OE1 3.09Å; R205-E245 IonicContact CZ-OE2 3.27Å; R205-E245 IonicContact NE-OE1 3.61Å; R205-E245 IonicContact NE-OE2 3.96Å; R205-E245 PolarHBondContact NE-OE2 3.45Å; R205-E245 IonicContact NH2-OE2 3.79Å; R241-E245 PolarHBondContact O-N 3.02Å; I242-E245 PolarHBondContact O-N 3.48Å; E245-L247 PolarHBondContact O-N 3.13Å; E245-V248 WeakPolarHBondContact O-CB 3.08Å; E245-V248 PolarHBondContact O-N 2.92Å; E245-Q249 WeakPolarHBondContact O-CG 3.25Å; E245-Q249 PolarHBondContact O-N 3.23Å; E245-Q249 WeakPolarHBondContact OE1-CG 3.35Å; E245-Q249 PolarHBondContact OE1-NE2 3.23Å |
| 246 | F | 90.7 | Very high | 82.4 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | 176.8 | -176.5 | -107.5 | 0 | 0 | 0 | 112.3 | V204 F208 I221 I242 K243 T244 V248 Q249 M250 I276 F280 | V204-F246 HydrophobicContact CG1-CB 4.29Å; V204-F246 HydrophobicContact CG1-CD2 4.24Å; F208-F246 AromaticContact CE2-CD2 3.87Å; F208-F246 HydrophobicContact CE2-CD2 3.87Å; F208-F246 AromaticContact CE2-CE2 3.77Å; F208-F246 HydrophobicContact CE2-CE2 3.77Å; F208-F246 HydrophobicContact CZ-CD2 4.16Å; F208-F246 AromaticContact CZ-CE2 3.73Å; F208-F246 HydrophobicContact CZ-CE2 3.73Å; I221-F246 HydrophobicContact CD1-CD2 4.22Å; I221-F246 HydrophobicContact CD1-CE2 3.18Å; I221-F246 HydrophobicContact CD1-CZ 3.46Å; I221-F246 VanDerWaalsContact CD1-CZ 3.46Å; I242-F246 WeakPolarHBondContact O-CB 3.1Å; I242-F246 PolarHBondContact O-N 3.35Å; K243-F246 PolarHBondContact O-N 2.77Å; T244-F246 VanDerWaalsContact C-N 3.34Å; T244-F246 PolarHBondContact O-N 2.95Å; F246-V248 VanDerWaalsContact C-N 3.34Å; F246-V248 PolarHBondContact O-N 3.22Å; F246-Q249 PolarHBondContact O-N 3.37Å; F246-M250 HydrophobicContact CD1-CG 4.21Å; F246-M250 HydrophobicContact CE1-CG 3.74Å; F246-M250 HydrophobicContact CE1-SD 4.41Å; F246-M250 HydrophobicContact CE2-CG 4.06Å; F246-M250 HydrophobicContact CE2-SD 4.33Å; F246-M250 HydrophobicContact CZ-CG 3.66Å; F246-M250 HydrophobicContact CZ-SD 3.85Å; F246-M250 WeakPolarHBondContact O-CB 3.41Å; F246-M250 VanDerWaalsContact O-CG 3.3Å; F246-M250 WeakPolarHBondContact O-CG 3.48Å; F246-M250 PolarHBondContact O-N 2.65Å; F246-I276 HydrophobicContact CD1-CD1 4.49Å; F246-I276 HydrophobicContact CE1-CG2 4.25Å; F246-F280 HydrophobicContact CE1-CE2 4.4Å; F246-F280 HydrophobicContact CE1-CZ 4.29Å; F246-F280 HydrophobicContact CZ-CZ 4.16Å |
| 247 | L | 90.4 | Very high | 81.9 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 175.9 | -76 | 172 | 0 | 0 | 0 | 112.5 | K243 T244 E245 Q251 A275 I276 R279 | K243-L247 WeakPolarHBondContact O-CB 2.88Å; K243-L247 WeakPolarHBondContact O-CG 3.02Å; K243-L247 PolarHBondContact O-N 2.68Å; T244-L247 PolarHBondContact O-N 3.49Å; E245-L247 PolarHBondContact O-N 3.13Å; L247-Q251 WeakPolarHBondContact O-CB 3.47Å; L247-Q251 PolarHBondContact O-N 3.41Å; L247-A275 HydrophobicContact CD1-CB 4Å; L247-A275 HydrophobicContact CD2-CB 4.33Å; L247-I276 HydrophobicContact CD1-CG1 4.31Å; L247-I276 HydrophobicContact CD2-CB 4.46Å; L247-I276 HydrophobicContact CD2-CG1 3.64Å; L247-I276 HydrophobicContact CG-CG1 3.97Å; L247-R279 HydrophobicContact CD2-CG 3.72Å |
| 248 | V | 91.4 | Very high | 81.3 | Confident | 85 Ų | 85 | 49.7 Ų | 49.7 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | T244 E245 F246 Q251 G252 | T244-V248 WeakPolarHBondContact O-CG2 3.47Å; T244-V248 PolarHBondContact O-N 3.27Å; E245-V248 WeakPolarHBondContact O-CB 3.08Å; E245-V248 PolarHBondContact O-N 2.92Å; F246-V248 VanDerWaalsContact C-N 3.34Å; F246-V248 PolarHBondContact O-N 3.22Å; V248-Q251 WeakPolarHBondContact O-CB 3.45Å; V248-Q251 PolarHBondContact O-N 3.27Å; V248-G252 PolarHBondContact O-N 3.41Å |
| 249 | Q | 91.5 | Very high | 81.5 | Confident | 24 Ų | 24 | 53 Ų | 53 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 178 | -68.1 | -55.8 | -36.9 | 0 | 0 | 112.5 | V204 F208 R212 E245 F246 Q251 G252 V253 | V204-Q249 HydrophobicContact CG1-CG 4.08Å; F208-Q249 HydrophobicContact CB-CB 4.25Å; F208-Q249 HydrophobicContact CB-CG 4.21Å; F208-Q249 HydrophobicContact CD1-CB 3.74Å; F208-Q249 HydrophobicContact CD2-CB 3.59Å; F208-Q249 HydrophobicContact CD2-CG 3.91Å; F208-Q249 HydrophobicContact CE1-CB 3.84Å; F208-Q249 HydrophobicContact CE2-CB 3.71Å; F208-Q249 HydrophobicContact CE2-CG 4.39Å; F208-Q249 HydrophobicContact CG-CB 3.6Å; F208-Q249 HydrophobicContact CG-CG 4Å; F208-Q249 HydrophobicContact CZ-CB 3.82Å; R212-Q249 VanDerWaalsContact NH1-OE1 3.08Å; E245-Q249 WeakPolarHBondContact O-CG 3.25Å; E245-Q249 PolarHBondContact O-N 3.23Å; E245-Q249 WeakPolarHBondContact OE1-CG 3.35Å; E245-Q249 PolarHBondContact OE1-NE2 3.23Å; F246-Q249 PolarHBondContact O-N 3.37Å; Q249-Q251 VanDerWaalsContact C-N 3.31Å; Q249-Q251 PolarHBondContact O-N 3.41Å; Q249-G252 PolarHBondContact O-N 2.89Å; Q249-G252 VanDerWaalsContact O-N 3.12Å; Q249-V253 PolarHBondContact O-N 3.12Å |
| 250 | M | 89.4 | Confident | 82 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 174.3 | -76.8 | -67.2 | -70.7 | 0 | 0 | 111.9 | F208 F246 G252 V253 C254 V262 R279 F280 | F208-M250 HydrophobicContact CE1-SD 4.31Å; F208-M250 HydrophobicContact CZ-CG 4.22Å; F208-M250 HydrophobicContact CZ-SD 4.03Å; F246-M250 HydrophobicContact CD1-CG 4.21Å; F246-M250 HydrophobicContact CE1-CG 3.74Å; F246-M250 HydrophobicContact CE1-SD 4.41Å; F246-M250 HydrophobicContact CE2-CG 4.06Å; F246-M250 HydrophobicContact CE2-SD 4.33Å; F246-M250 HydrophobicContact CZ-CG 3.66Å; F246-M250 HydrophobicContact CZ-SD 3.85Å; F246-M250 WeakPolarHBondContact O-CB 3.41Å; F246-M250 VanDerWaalsContact O-CG 3.3Å; F246-M250 WeakPolarHBondContact O-CG 3.48Å; F246-M250 PolarHBondContact O-N 2.65Å; M250-G252 VanDerWaalsContact C-N 3.32Å; M250-G252 PolarHBondContact O-N 2.63Å; M250-V253 PolarHBondContact O-N 2.7Å; M250-C254 PolarHBondContact O-N 3.44Å; M250-C254 VanDerWaalsContact O-N 3.08Å; M250-C254 PolarHBondContact O-SG 3.45Å; M250-V262 HydrophobicContact CE-CB 4.11Å; M250-V262 HydrophobicContact CE-CG1 4.31Å; M250-V262 HydrophobicContact CE-CG2 4.44Å; M250-V262 HydrophobicContact SD-CB 3.72Å; M250-V262 HydrophobicContact SD-CG1 3.7Å; M250-V262 HydrophobicContact SD-CG2 3.57Å; M250-V262 VanDerWaalsContact SD-CG2 3.57Å; M250-R279 HydrophobicContact CB-CB 4.39Å; M250-R279 HydrophobicContact CB-CG 4.31Å; M250-R279 HydrophobicContact CE-CB 3.92Å; M250-F280 HydrophobicContact CE-CD1 4.35Å; M250-F280 HydrophobicContact CE-CE1 3.95Å; M250-F280 HydrophobicContact CE-CZ 4.21Å |
| 251 | Q | 86.5 | Confident | 82.5 | Confident | 85 Ų | 85 | 46.7 Ų | 46.7 | 40% | 0.397 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 175.9 | -172.5 | 64.7 | 35.6 | 0 | 0 | 111.8 | L247 V248 Q249 C254 S255 | L247-Q251 WeakPolarHBondContact O-CB 3.47Å; L247-Q251 PolarHBondContact O-N 3.41Å; V248-Q251 WeakPolarHBondContact O-CB 3.45Å; V248-Q251 PolarHBondContact O-N 3.27Å; Q249-Q251 VanDerWaalsContact C-N 3.31Å; Q249-Q251 PolarHBondContact O-N 3.41Å; Q251-C254 PolarHBondContact O-N 3.37Å; Q251-S255 WeakPolarHBondContact O-CB 3.44Å; Q251-S255 PolarHBondContact O-N 3.15Å; Q251-S255 PolarHBondContact O-OG 3.32Å |
| 252 | G | 80.4 | Confident | 82.9 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 19% | 0.186 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V248 Q249 M250 C254 S255 N256 | V248-G252 PolarHBondContact O-N 3.41Å; Q249-G252 PolarHBondContact O-N 2.89Å; Q249-G252 VanDerWaalsContact O-N 3.12Å; M250-G252 VanDerWaalsContact C-N 3.32Å; M250-G252 PolarHBondContact O-N 2.63Å; G252-C254 VanDerWaalsContact C-N 3.29Å; G252-C254 PolarHBondContact O-N 3.08Å; G252-S255 PolarHBondContact O-N 2.9Å; G252-N256 WeakPolarHBondContact O-CB 3.4Å; G252-N256 PolarHBondContact O-N 3.35Å; G252-N256 VanDerWaalsContact O-N 3.11Å |
| 253 | V | 77.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -38.3 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | R156 F208 Q249 M250 S255 V260 | R156-V253 HydrophobicContact CB-CG1 4.33Å; F208-V253 HydrophobicContact CD1-CG2 3.48Å; F208-V253 VanDerWaalsContact CD1-CG2 3.48Å; F208-V253 HydrophobicContact CE1-CG2 3.56Å; Q249-V253 PolarHBondContact O-N 3.12Å; M250-V253 PolarHBondContact O-N 2.7Å; V253-S255 VanDerWaalsContact C-N 3.35Å; V253-V260 HydrophobicContact CG1-CB 4.04Å; V253-V260 HydrophobicContact CG1-CG1 4.29Å; V253-V260 WeakPolarHBondContact CG1-O 3.32Å; V253-V260 HydrophobicContact CG2-CB 4.48Å; V253-V260 HydrophobicContact CG2-CG1 4.35Å |
| 254 | C | 66.3 | Low | 83.9 | Confident | 43 Ų | 43 | 39.6 Ų | 39.6 | 29% | 0.291 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.5 | -33.7 | 177.5 | -64.3 | 0 | 0 | 0 | 0 | 113 | M250 Q251 G252 | M250-C254 PolarHBondContact O-N 3.44Å; M250-C254 VanDerWaalsContact O-N 3.08Å; M250-C254 PolarHBondContact O-SG 3.45Å; Q251-C254 PolarHBondContact O-N 3.37Å; G252-C254 VanDerWaalsContact C-N 3.29Å; G252-C254 PolarHBondContact O-N 3.08Å |
| 255 | S | 68.7 | Low | 84.2 | Confident | 74 Ų | 74 | 35.6 Ų | 35.6 | 52% | 0.517 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -88.1 | -33.1 | -170.9 | -52 | 0 | 0 | 0 | 0 | 113.4 | Q251 G252 V253 | Q251-S255 WeakPolarHBondContact O-CB 3.44Å; Q251-S255 PolarHBondContact O-N 3.15Å; Q251-S255 PolarHBondContact O-OG 3.32Å; G252-S255 PolarHBondContact O-N 2.9Å; V253-S255 VanDerWaalsContact C-N 3.35Å |
| 256 | N | 66 | Low | 84.4 | Confident | 102 Ų | 102 | 34.3 Ų | 34.3 | 55% | 0.545 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 8.2 | -164.9 | -68.7 | -7.9 | 0 | 0 | 0 | 115 | G252 E258 | G252-N256 WeakPolarHBondContact O-CB 3.4Å; G252-N256 PolarHBondContact O-N 3.35Å; G252-N256 VanDerWaalsContact O-N 3.11Å; N256-E258 VanDerWaalsContact C-N 3.25Å; N256-E258 HydrophobicContact CB-CG 3.52Å; N256-E258 WeakPolarHBondContact CB-OE1 3.39Å; N256-E258 PolarHBondContact ND2-OE1 3.45Å; N256-E258 PolarHBondContact O-N 3.43Å |
| 257 | N | 63.9 | Low | 84.6 | Confident | 103 Ų | 103 | 36.3 Ų | 36.3 | 55% | 0.551 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 44.7 | -178.6 | -90.7 | -20.8 | 0 | 0 | 0 | 113.8 | R156 N259 | R156-N257 PolarHBondContact NH2-OD1 2.81Å; N257-N259 VanDerWaalsContact C-N 3.28Å; N257-N259 PolarHBondContact O-N 2.89Å; N257-N259 VanDerWaalsContact O-N 3.12Å |
| 258 | E | 66.1 | Low | 84.8 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | trans | -79.9 | 8.9 | -165.1 | -75 | 172.7 | 173.5 | 0 | 0 | 115.2 | R212 K215 N256 V260 | R212-E258 VanDerWaalsContact CD-OE2 3.29Å; R212-E258 WeakPolarHBondContact CD-OE2 3.37Å; R212-E258 VanDerWaalsContact CG-OE2 3.3Å; R212-E258 WeakPolarHBondContact CG-OE2 3.29Å; R212-E258 IonicContact CZ-OE2 3.98Å; R212-E258 IonicContact NE-OE1 3.01Å; R212-E258 PolarHBondContact NE-OE1 3.27Å; R212-E258 IonicContact NE-OE2 2.89Å; R212-E258 PolarHBondContact NE-OE2 3.1Å; R212-E258 IonicContact NH2-OE2 2.77Å; K215-E258 WeakPolarHBondContact CD-O 3.45Å; K215-E258 WeakPolarHBondContact CE-O 3.45Å; K215-E258 VanDerWaalsContact CG-O 3.31Å; K215-E258 WeakPolarHBondContact CG-O 3.3Å; K215-E258 PolarHBondContact NZ-O 3.16Å; N256-E258 VanDerWaalsContact C-N 3.25Å; N256-E258 HydrophobicContact CB-CG 3.52Å; N256-E258 WeakPolarHBondContact CB-OE1 3.39Å; N256-E258 PolarHBondContact ND2-OE1 3.45Å; N256-E258 PolarHBondContact O-N 3.43Å; E258-V260 HydrophobicContact CB-CG2 4.08Å; E258-V260 PolarHBondContact O-N 2.91Å; E258-V260 VanDerWaalsContact O-N 3.08Å | ||
| 259 | N | 81.9 | Confident | 84.9 | Confident | 104 Ų | 104 | 32.4 Ų | 32.4 | 56% | 0.556 | 18% | 0.183 | S | C | * | . | S | Bend | trans | 49.7 | 31.2 | -171.9 | -69.6 | -12.5 | 0 | 0 | 0 | 113.5 | S217 N257 | S217-N259 PolarHBondContact N-O 2.7Å; N257-N259 VanDerWaalsContact C-N 3.28Å; N257-N259 PolarHBondContact O-N 2.89Å; N257-N259 VanDerWaalsContact O-N 3.12Å |
| 260 | V | 90.5 | Very high | 84.9 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.8 | 171.4 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | A211 R212 K215 S217 I219 V253 E258 | A211-V260 HydrophobicContact CB-CG1 3.94Å; A211-V260 HydrophobicContact CB-CG2 4.31Å; R212-V260 HydrophobicContact CG-CG2 4.33Å; K215-V260 HydrophobicContact CG-CG2 4.29Å; S217-V260 WeakPolarHBondContact O-CA 3.43Å; I219-V260 HydrophobicContact CD1-CG1 3.96Å; I219-V260 HydrophobicContact CG1-CG1 4.13Å; V253-V260 HydrophobicContact CG1-CB 4.04Å; V253-V260 HydrophobicContact CG1-CG1 4.29Å; V253-V260 WeakPolarHBondContact CG1-O 3.32Å; V253-V260 HydrophobicContact CG2-CB 4.48Å; V253-V260 HydrophobicContact CG2-CG1 4.35Å; E258-V260 HydrophobicContact CB-CG2 4.08Å; E258-V260 PolarHBondContact O-N 2.91Å; E258-V260 VanDerWaalsContact O-N 3.08Å |
| 261 | L | 92.9 | Very high | 85 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.1 | 172.1 | 175.8 | 68.5 | 0 | 0 | 0 | 108.9 | V138 W155 I158 S217 I218 I219 L263 | V138-L261 HydrophobicContact CB-CD2 4.28Å; V138-L261 HydrophobicContact CG1-CD2 3.77Å; V138-L261 HydrophobicContact CG2-CD2 3.49Å; V138-L261 VanDerWaalsContact CG2-CD2 3.49Å; W155-L261 WeakPolarHBondContact O-CD1 3.32Å; I158-L261 HydrophobicContact CD1-CD1 4.03Å; I158-L261 HydrophobicContact CG1-CD1 4.12Å; S217-L261 PolarHBondContact O-N 3.47Å; S217-L261 VanDerWaalsContact O-N 3.1Å; I218-L261 CarbonylContact C-O 3.57Å; I218-L261 WeakPolarHBondContact CA-O 3.16Å; I218-L261 HydrophobicContact CD1-CD2 4.14Å; I218-L261 HydrophobicContact CG1-CB 4.34Å; I218-L261 HydrophobicContact CG1-CD2 4.37Å; I219-L261 PolarHBondContact N-O 3.42Å; L261-L263 HydrophobicContact CD2-CD2 3.85Å; L261-L263 HydrophobicContact CD2-CG 4.07Å; L261-L263 HydrophobicContact CG-CD2 4.14Å; L261-L263 HydrophobicContact CG-CG 4.3Å |
| 262 | V | 94.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 113.2 | 172 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | R156 G157 I158 F208 I219 I221 M250 F280 | R156-V262 PolarHBondContact O-N 2.81Å; G157-V262 WeakPolarHBondContact CA-O 2.93Å; I158-V262 PolarHBondContact N-O 3.03Å; F208-V262 HydrophobicContact CE1-CG2 3.96Å; F208-V262 HydrophobicContact CZ-CG2 4.25Å; I219-V262 HydrophobicContact CB-CG1 4.46Å; I219-V262 HydrophobicContact CB-CG2 4.35Å; I219-V262 HydrophobicContact CD1-CG2 4.32Å; I219-V262 WeakPolarHBondContact O-CA 3.29Å; I221-V262 HydrophobicContact CD1-CG1 4.23Å; M250-V262 HydrophobicContact CE-CB 4.11Å; M250-V262 HydrophobicContact CE-CG1 4.31Å; M250-V262 HydrophobicContact CE-CG2 4.44Å; M250-V262 HydrophobicContact SD-CB 3.72Å; M250-V262 HydrophobicContact SD-CG1 3.7Å; M250-V262 HydrophobicContact SD-CG2 3.57Å; M250-V262 VanDerWaalsContact SD-CG2 3.57Å; V262-F280 HydrophobicContact CG1-CE1 4.08Å; V262-F280 HydrophobicContact CG1-CZ 4.42Å |
| 263 | L | 96 | Very high | 85.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.4 | 168.2 | -63.9 | -174.4 | 0 | 0 | 0 | 108.7 | I158 A172 V175 I218 I219 F220 I221 L261 | I158-L263 HydrophobicContact CB-CD2 3.63Å; I158-L263 HydrophobicContact CD1-CD2 4.03Å; I158-L263 HydrophobicContact CG1-CD2 4.16Å; I158-L263 HydrophobicContact CG2-CD2 4.26Å; I158-L263 WeakPolarHBondContact O-CA 3.32Å; A172-L263 HydrophobicContact CB-CD1 3.9Å; V175-L263 HydrophobicContact CB-CD1 4.22Å; V175-L263 HydrophobicContact CG1-CD1 4.17Å; V175-L263 HydrophobicContact CG2-CD1 4.48Å; I218-L263 HydrophobicContact CG2-CB 4.3Å; I218-L263 HydrophobicContact CG2-CD1 3.73Å; I218-L263 HydrophobicContact CG2-CG 3.75Å; I219-L263 PolarHBondContact O-N 3.02Å; F220-L263 CarbonylContact C-O 3.49Å; F220-L263 VanDerWaalsContact CA-O 3.28Å; F220-L263 WeakPolarHBondContact CA-O 3.49Å; F220-L263 HydrophobicContact CD2-CB 3.86Å; I221-L263 PolarHBondContact N-O 2.85Å; L261-L263 HydrophobicContact CD2-CD2 3.85Å; L261-L263 HydrophobicContact CD2-CG 4.07Å; L261-L263 HydrophobicContact CG-CD2 4.14Å; L261-L263 HydrophobicContact CG-CG 4.3Å |
| 264 | A | 95.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | I158 L159 L160 I221 V224 F280 | I158-A264 PolarHBondContact O-N 3.26Å; L159-A264 HydrophobicContact CD1-CB 3.87Å; L160-A264 PolarHBondContact N-O 2.92Å; I221-A264 CarbonylContact O-C 3.51Å; I221-A264 VanDerWaalsContact O-CA 3.3Å; I221-A264 WeakPolarHBondContact O-CA 3.43Å; V224-A264 HydrophobicContact CB-CB 4.08Å; V224-A264 HydrophobicContact CG1-CB 4Å; V224-A264 HydrophobicContact CG2-CB 4.31Å; A264-F280 HydrophobicContact CB-CD1 4.29Å; A264-F280 HydrophobicContact CB-CE1 3.53Å; A264-F280 HydrophobicContact CB-CE2 4.01Å; A264-F280 HydrophobicContact CB-CZ 3.36Å |
| 265 | A | 96.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 140.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | L160 K168 F220 I221 E223 V224 | L160-A265 VanDerWaalsContact O-CA 3.28Å; L160-A265 WeakPolarHBondContact O-CA 3.42Å; K168-A265 HydrophobicContact CB-CB 4.06Å; K168-A265 HydrophobicContact CD-CB 4.25Å; F220-A265 HydrophobicContact CE2-CB 3.75Å; F220-A265 HydrophobicContact CZ-CB 3.62Å; I221-A265 PolarHBondContact O-N 3.46Å; E223-A265 WeakPolarHBondContact CA-O 3.48Å; E223-A265 PolarHBondContact N-O 2.57Å; E223-A265 VanDerWaalsContact N-O 3.09Å; V224-A265 PolarHBondContact N-O 3.45Å |
| 266 | T | 95.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 147.6 | 172.3 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | L159 L160 Y161 G162 K168 V224 D225 T268 P269 | L159-T266 HydrophobicContact CD1-CG2 3.92Å; L159-T266 HydrophobicContact CD2-CG2 4.41Å; L159-T266 HydrophobicContact CG-CG2 4.4Å; L160-T266 PolarHBondContact O-N 3.06Å; Y161-T266 WeakPolarHBondContact CA-O 3.42Å; G162-T266 PolarHBondContact N-O 2.99Å; K168-T266 WeakPolarHBondContact CE-O 3.49Å; V224-T266 HydrophobicContact CG1-CG2 4.49Å; D225-T266 WeakPolarHBondContact OD1-CB 3.11Å; D225-T266 PolarHBondContact OD1-OG1 3.26Å; T266-T268 PolarHBondContact OG1-N 3.28Å; T266-P269 HydrophobicContact CG2-CB 3.87Å |
| 267 | N | 95.1 | Very high | 89.2 | Confident | 45 Ų | 45 | 30.8 Ų | 30.8 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -94.4 | -13.5 | 169.9 | -60.1 | -41.5 | 0 | 0 | 0 | 112.3 | G162 P164 K168 H421 | G162-N267 PolarHBondContact O-OD1 3.08Å; P164-N267 WeakPolarHBondContact CA-OD1 3.4Å; K168-N267 WeakPolarHBondContact CE-OD1 3.33Å; K168-N267 PolarHBondContact NZ-OD1 3.35Å; N267-H421 PolarHBondContact O-CE1 2.88Å; N267-H421 PolarHBondContact O-NE2 2.86Å |
| 268 | T | 93.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 33.8 Ų | 33.8 | 24% | 0.239 | 17% | 0.169 | C | C | . | . | trans | -132.3 | 63 | -174.8 | 74.5 | 0 | 0 | 0 | 0 | 112 | D225 T266 W270 T271 | D225-T268 PolarHBondContact OD2-OG1 2.85Å; T266-T268 PolarHBondContact OG1-N 3.28Å; T268-W270 HydrophobicContact CG2-CZ2 3.94Å; T268-W270 PolarHBondContact O-N 3.08Å; T268-T271 PolarHBondContact O-N 3.39Å; T268-T271 PolarHBondContact O-OG1 3.42Å; T268-T271 WeakPolarHBondContact OG1-CG2 3.24Å; T268-T271 PolarHBondContact OG1-OG1 3.49Å | ||
| 269 | P | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -61 | -24.3 | -171 | 29.6 | -40.5 | 0 | 0 | 0 | 114.4 | Y161 T266 T271 L272 F424 | Y161-P269 HydrophobicContact CD2-CB 4.21Å; Y161-P269 HydrophobicContact CD2-CG 3.72Å; Y161-P269 HydrophobicContact CG-CB 4.18Å; Y161-P269 HydrophobicContact CG-CG 4.16Å; T266-P269 HydrophobicContact CG2-CB 3.87Å; P269-T271 PolarHBondContact O-N 3.38Å; P269-L272 VanDerWaalsContact O-CB 3.27Å; P269-L272 WeakPolarHBondContact O-CB 3.44Å; P269-L272 PolarHBondContact O-N 3.29Å; P269-F424 HydrophobicContact CB-CD1 3.83Å; P269-F424 HydrophobicContact CB-CD2 3.91Å; P269-F424 HydrophobicContact CB-CE1 3.66Å; P269-F424 HydrophobicContact CB-CE2 3.73Å; P269-F424 HydrophobicContact CB-CG 3.96Å; P269-F424 HydrophobicContact CB-CZ 3.61Å; P269-F424 HydrophobicContact CG-CB 4.23Å; P269-F424 HydrophobicContact CG-CD1 3.77Å; P269-F424 HydrophobicContact CG-CD2 4.01Å; P269-F424 HydrophobicContact CG-CE1 4.14Å; P269-F424 HydrophobicContact CG-CE2 4.35Å; P269-F424 HydrophobicContact CG-CG 3.72Å; P269-F424 HydrophobicContact CG-CZ 4.42Å; P269-F424 VanDerWaalsContact O-CE2 3.3Å; P269-F424 WeakPolarHBondContact O-CE2 3.2Å |
| 270 | W | 92.5 | Very high | 92.1 | Very high | 94 Ų | 94 | 31.7 Ų | 31.7 | 36% | 0.356 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -68.3 | -19.6 | 174.9 | 53.4 | 81.8 | 0 | 0 | 0 | 114 | T268 L272 K420 H421 F424 | T268-W270 HydrophobicContact CG2-CZ2 3.94Å; T268-W270 PolarHBondContact O-N 3.08Å; W270-L272 VanDerWaalsContact C-N 3.32Å; W270-K420 HydrophobicContact CD2-CB 4.39Å; W270-K420 HydrophobicContact CE3-CB 3.87Å; W270-K420 HydrophobicContact CH2-CB 3.73Å; W270-K420 HydrophobicContact CH2-CD 4.07Å; W270-K420 HydrophobicContact CZ2-CB 4.25Å; W270-K420 HydrophobicContact CZ2-CD 3.85Å; W270-K420 HydrophobicContact CZ3-CB 3.51Å; W270-H421 AromaticContact CH2-CE1 3.54Å; W270-H421 AromaticContact CH2-ND1 3.78Å; W270-H421 AromaticContact CZ3-CE1 3.69Å; W270-H421 AromaticContact CZ3-ND1 3.67Å; W270-F424 HydrophobicContact CB-CD2 4.35Å |
| 271 | T | 91 | Very high | 91.9 | Very high | 43 Ų | 43 | 36 Ų | 36 | 26% | 0.264 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -82.1 | -16.2 | 175.6 | 69.8 | 0 | 0 | 0 | 0 | 111.7 | D225 G229 S230 T268 P269 | D225-T271 WeakPolarHBondContact CB-OG1 3.39Å; G229-T271 CarbonylContact C-O 3.56Å; G229-T271 WeakPolarHBondContact CA-O 3.42Å; S230-T271 PolarHBondContact N-O 2.99Å; S230-T271 PolarHBondContact OG-O 2.95Å; T268-T271 PolarHBondContact O-N 3.39Å; T268-T271 PolarHBondContact O-OG1 3.42Å; T268-T271 WeakPolarHBondContact OG1-CG2 3.24Å; T268-T271 PolarHBondContact OG1-OG1 3.49Å; P269-T271 PolarHBondContact O-N 3.38Å |
| 272 | L | 90.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -67.4 | 132.5 | -172.7 | -166.6 | 64.9 | 0 | 0 | 0 | 112.4 | L159 V224 C228 P269 W270 I276 R277 | L159-L272 HydrophobicContact CD2-CD2 3.91Å; V224-L272 HydrophobicContact CG1-CD1 4.07Å; V224-L272 HydrophobicContact CG2-CD1 4.41Å; C228-L272 HydrophobicContact CB-CD1 3.42Å; C228-L272 VanDerWaalsContact CB-CD1 3.42Å; P269-L272 VanDerWaalsContact O-CB 3.27Å; P269-L272 WeakPolarHBondContact O-CB 3.44Å; P269-L272 PolarHBondContact O-N 3.29Å; W270-L272 VanDerWaalsContact C-N 3.32Å; L272-I276 HydrophobicContact CD1-CG2 4.12Å; L272-I276 HydrophobicContact CG-CG2 4.4Å; L272-R277 HydrophobicContact CD2-CB 4.07Å; L272-R277 HydrophobicContact CG-CB 4.41Å |
| 273 | D | 87.7 | Confident | 91.9 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 24% | 0.235 | 18% | 0.178 | C | C | . | . | trans | -53.1 | 140.5 | 175.2 | 175.5 | 71.3 | 0 | 0 | 0 | 112.1 | C228 A275 I276 R277 | C228-D273 WeakPolarHBondContact O-CB 3.47Å; C228-D273 PolarHBondContact O-N 2.85Å; D273-A275 PolarHBondContact O-N 3.22Å; D273-A275 WeakPolarHBondContact OD2-CA 3.07Å; D273-A275 WeakPolarHBondContact OD2-CB 3.5Å; D273-A275 PolarHBondContact OD2-N 2.9Å; D273-I276 HydrophobicContact CB-CB 4.44Å; D273-I276 HydrophobicContact CB-CD1 4.37Å; D273-I276 HydrophobicContact CB-CG1 4.4Å; D273-I276 PolarHBondContact O-N 2.85Å; D273-I276 PolarHBondContact OD2-N 3.43Å; D273-R277 VanDerWaalsContact O-CB 3.32Å; D273-R277 WeakPolarHBondContact O-CB 3.2Å; D273-R277 PolarHBondContact O-N 3.41Å | ||
| 274 | S | 88.3 | Confident | 91.9 | Very high | 52 Ų | 52 | 38 Ų | 38 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.6 | -33.8 | -175 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | R278 | S274-R278 VanDerWaalsContact O-CG 3.3Å; S274-R278 WeakPolarHBondContact O-CG 3.48Å; S274-R278 PolarHBondContact O-N 3.02Å; S274-R278 VanDerWaalsContact O-N 3.1Å |
| 275 | A | 88.3 | Confident | 91.9 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70 | -39.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | L247 D273 R278 R279 | L247-A275 HydrophobicContact CD1-CB 4Å; L247-A275 HydrophobicContact CD2-CB 4.33Å; D273-A275 PolarHBondContact O-N 3.22Å; D273-A275 WeakPolarHBondContact OD2-CA 3.07Å; D273-A275 WeakPolarHBondContact OD2-CB 3.5Å; D273-A275 PolarHBondContact OD2-N 2.9Å; A275-R278 WeakPolarHBondContact O-CB 3.49Å; A275-R278 PolarHBondContact O-N 3.3Å; A275-R279 PolarHBondContact O-N 3.29Å |
| 276 | I | 89.4 | Confident | 91.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.9 | -44.6 | 178.1 | -63.9 | 179.5 | 0 | 0 | 0 | 110.6 | C228 K243 F246 L247 L272 D273 R278 R279 F280 | C228-I276 HydrophobicContact CB-CB 4.42Å; C228-I276 HydrophobicContact CB-CD1 3.41Å; C228-I276 VanDerWaalsContact CB-CD1 3.41Å; C228-I276 HydrophobicContact CB-CG1 4.45Å; C228-I276 HydrophobicContact CB-CG2 4.04Å; C228-I276 WeakPolarHBondContact SG-CD1 3.43Å; K243-I276 HydrophobicContact CB-CD1 4.31Å; K243-I276 HydrophobicContact CG-CD1 4.09Å; F246-I276 HydrophobicContact CD1-CD1 4.49Å; F246-I276 HydrophobicContact CE1-CG2 4.25Å; L247-I276 HydrophobicContact CD1-CG1 4.31Å; L247-I276 HydrophobicContact CD2-CB 4.46Å; L247-I276 HydrophobicContact CD2-CG1 3.64Å; L247-I276 HydrophobicContact CG-CG1 3.97Å; L272-I276 HydrophobicContact CD1-CG2 4.12Å; L272-I276 HydrophobicContact CG-CG2 4.4Å; D273-I276 HydrophobicContact CB-CB 4.44Å; D273-I276 HydrophobicContact CB-CD1 4.37Å; D273-I276 HydrophobicContact CB-CG1 4.4Å; D273-I276 PolarHBondContact O-N 2.85Å; D273-I276 PolarHBondContact OD2-N 3.43Å; I276-R278 PolarHBondContact O-N 2.69Å; I276-R279 WeakPolarHBondContact O-CB 3.44Å; I276-R279 PolarHBondContact O-N 3.09Å; I276-F280 HydrophobicContact CG2-CD2 4.13Å; I276-F280 HydrophobicContact CG2-CE2 3.71Å; I276-F280 WeakPolarHBondContact O-CD2 3.42Å; I276-F280 PolarHBondContact O-N 2.99Å |
| 277 | R | 90.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 17% | 0.166 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.6 | -30.5 | 173.1 | -178.7 | 166.4 | 45.3 | 130.9 | -0.9 | 113.2 | L272 D273 F280 R283 | L272-R277 HydrophobicContact CD2-CB 4.07Å; L272-R277 HydrophobicContact CG-CB 4.41Å; D273-R277 VanDerWaalsContact O-CB 3.32Å; D273-R277 WeakPolarHBondContact O-CB 3.2Å; D273-R277 PolarHBondContact O-N 3.41Å; R277-F280 VanDerWaalsContact O-O 3.1Å; R277-R283 PolarHBondContact O-NE 2.85Å; R277-R283 PolarHBondContact O-NH2 3.17Å |
| 278 | R | 89.3 | Confident | 92 | Very high | 166 Ų | 166 | 41.5 Ų | 41.5 | 63% | 0.626 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -71.5 | -25.5 | 173 | -77.9 | 171.7 | 178.8 | 144.3 | -1.3 | 113.7 | S274 A275 I276 | S274-R278 VanDerWaalsContact O-CG 3.3Å; S274-R278 WeakPolarHBondContact O-CG 3.48Å; S274-R278 PolarHBondContact O-N 3.02Å; S274-R278 VanDerWaalsContact O-N 3.1Å; A275-R278 WeakPolarHBondContact O-CB 3.49Å; A275-R278 PolarHBondContact O-N 3.3Å; I276-R278 PolarHBondContact O-N 2.69Å |
| 279 | R | 90.7 | Very high | 92.1 | Very high | 83 Ų | 83 | 40 Ų | 40 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -78.6 | -21.8 | 175.6 | -65 | -68.3 | 175.7 | -99 | 2.7 | 112.8 | L247 M250 A275 I276 E281 | L247-R279 HydrophobicContact CD2-CG 3.72Å; M250-R279 HydrophobicContact CB-CB 4.39Å; M250-R279 HydrophobicContact CB-CG 4.31Å; M250-R279 HydrophobicContact CE-CB 3.92Å; A275-R279 PolarHBondContact O-N 3.29Å; I276-R279 WeakPolarHBondContact O-CB 3.44Å; I276-R279 PolarHBondContact O-N 3.09Å; R279-E281 PolarHBondContact O-N 2.9Å |
| 280 | F | 92 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -93.2 | 83.3 | 168.3 | -62.1 | -70.6 | 0 | 0 | 0 | 110 | L159 V224 F246 M250 V262 A264 I276 R277 R283 | L159-F280 HydrophobicContact CB-CB 3.66Å; L159-F280 HydrophobicContact CB-CD1 4.29Å; L159-F280 HydrophobicContact CB-CG 3.93Å; V224-F280 HydrophobicContact CG2-CE2 4.45Å; F246-F280 HydrophobicContact CE1-CE2 4.4Å; F246-F280 HydrophobicContact CE1-CZ 4.29Å; F246-F280 HydrophobicContact CZ-CZ 4.16Å; M250-F280 HydrophobicContact CE-CD1 4.35Å; M250-F280 HydrophobicContact CE-CE1 3.95Å; M250-F280 HydrophobicContact CE-CZ 4.21Å; V262-F280 HydrophobicContact CG1-CE1 4.08Å; V262-F280 HydrophobicContact CG1-CZ 4.42Å; A264-F280 HydrophobicContact CB-CD1 4.29Å; A264-F280 HydrophobicContact CB-CE1 3.53Å; A264-F280 HydrophobicContact CB-CE2 4.01Å; A264-F280 HydrophobicContact CB-CZ 3.36Å; I276-F280 HydrophobicContact CG2-CD2 4.13Å; I276-F280 HydrophobicContact CG2-CE2 3.71Å; I276-F280 WeakPolarHBondContact O-CD2 3.42Å; I276-F280 PolarHBondContact O-N 2.99Å; R277-F280 VanDerWaalsContact O-O 3.1Å; F280-R283 WeakPolarHBondContact O-CG 3.27Å; F280-R283 PolarHBondContact O-NE 2.74Å | ||
| 281 | E | 86.8 | Confident | 92.4 | Very high | 90 Ų | 90 | 45.5 Ų | 45.5 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | trans | -68.3 | -39.7 | -175.7 | -61.6 | 175 | 155.7 | 0 | 0 | 111.8 | W155 G157 R279 Q430 | W155-E281 HydrophobicContact CE3-CB 3.63Å; W155-E281 VanDerWaalsContact CE3-OE2 3.3Å; W155-E281 HydrophobicContact CZ3-CB 3.62Å; W155-E281 HydrophobicContact CZ3-CG 4.5Å; G157-E281 PolarHBondContact O-N 2.92Å; R279-E281 PolarHBondContact O-N 2.9Å; E281-Q430 PolarHBondContact O-NE2 2.67Å; E281-Q430 VanDerWaalsContact O-NE2 3.17Å | ||
| 282 | K | 92.5 | Very high | 92.7 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 6% | 0.057 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.6 | 172.6 | -165.5 | 79.6 | -170 | 167.7 | 0 | 109.2 | A137 W155 G157 I158 L159 I284 Q430 | A137-K282 HydrophobicContact CB-CG 4.48Å; W155-K282 HydrophobicContact CB-CB 4.47Å; W155-K282 HydrophobicContact CD2-CB 4.33Å; W155-K282 HydrophobicContact CG-CB 4.24Å; G157-K282 PolarHBondContact O-N 3.16Å; I158-K282 CarbonylContact C-O 2.91Å; I158-K282 VanDerWaalsContact CA-O 3.32Å; I158-K282 WeakPolarHBondContact CA-O 3.47Å; I158-K282 HydrophobicContact CB-CB 4.38Å; I158-K282 HydrophobicContact CG1-CB 4.03Å; I158-K282 HydrophobicContact CG2-CB 4.16Å; I158-K282 HydrophobicContact CG2-CG 4.2Å; L159-K282 PolarHBondContact N-O 3.41Å; K282-I284 HydrophobicContact CG-CD1 4.2Å; K282-I284 HydrophobicContact CG-CG1 4.08Å; K282-Q430 VanDerWaalsContact CD-OE1 3.28Å |
| 283 | R | 94.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 15% | 0.151 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 113.6 | -178.8 | -59.3 | 165.8 | -166.6 | 152.3 | 4.2 | 108.5 | L159 Y161 R277 F280 F428 Q430 | L159-R283 HydrophobicContact CB-CG 4.27Å; L159-R283 HydrophobicContact CD2-CG 4.47Å; L159-R283 CarbonylContact O-C 3.25Å; L159-R283 WeakPolarHBondContact O-CA 3.48Å; Y161-R283 HydrophobicContact CD1-CB 4.41Å; Y161-R283 HydrophobicContact CE1-CB 3.99Å; R277-R283 PolarHBondContact O-NE 2.85Å; R277-R283 PolarHBondContact O-NH2 3.17Å; F280-R283 WeakPolarHBondContact O-CG 3.27Å; F280-R283 PolarHBondContact O-NE 2.74Å; R283-F428 VanDerWaalsContact CD-O 3.24Å; R283-F428 WeakPolarHBondContact CD-O 3.41Å; R283-F428 PolarHBondContact NH1-O 2.76Å; R283-Q430 PolarHBondContact O-N 2.77Å |
| 284 | I | 95.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119 | -171.2 | -56.3 | 176.5 | 0 | 0 | 0 | 108.3 | A130 A133 L134 I158 L159 L160 Y161 K282 I286 | A130-I284 HydrophobicContact CB-CG2 3.63Å; A133-I284 HydrophobicContact CB-CD1 3.78Å; A133-I284 HydrophobicContact CB-CG1 4.18Å; L134-I284 HydrophobicContact CD2-CD1 3.76Å; L134-I284 HydrophobicContact CG-CD1 3.72Å; I158-I284 HydrophobicContact CG2-CD1 3.75Å; I158-I284 HydrophobicContact CG2-CG1 4.15Å; L159-I284 PolarHBondContact O-N 3.13Å; L160-I284 HydrophobicContact CD2-CB 4.02Å; L160-I284 HydrophobicContact CD2-CD1 4.34Å; Y161-I284 WeakPolarHBondContact CD1-O 3.08Å; Y161-I284 PolarHBondContact N-O 2.9Å; K282-I284 HydrophobicContact CG-CD1 4.2Å; K282-I284 HydrophobicContact CG-CG1 4.08Å; I284-I286 HydrophobicContact CG2-CD1 3.98Å |
| 285 | Y | 95.8 | Very high | 94 | Very high | 50 Ų | 50 | 44 Ų | 44 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 131.3 | 174.7 | 179.6 | -124.7 | 0 | 0 | 0 | 110.4 | Y161 P287 H421 | Y161-Y285 AromaticContact CD2-CD2 3.86Å; Y161-Y285 HydrophobicContact CD2-CD2 3.86Å; Y161-Y285 AromaticContact CE2-CD2 3.54Å; Y161-Y285 HydrophobicContact CE2-CD2 3.54Å; Y161-Y285 HydrophobicContact CE2-CE2 4.48Å; Y161-Y285 HydrophobicContact CE2-CG 4.13Å; Y161-Y285 CarbonylContact O-C 3.58Å; Y161-Y285 WeakPolarHBondContact O-CA 3.36Å; Y285-P287 HydrophobicContact CD1-CB 4.26Å; Y285-P287 HydrophobicContact CE1-CB 3.67Å; Y285-P287 WeakPolarHBondContact O-CD 3.48Å; Y285-H421 HydrophobicContact CE2-CB 3.8Å; Y285-H421 AromaticContact CE2-CD2 3.98Å |
| 286 | I | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -109.9 | 97.5 | 176.4 | -52.6 | -54 | 0 | 0 | 0 | 108 | L127 A130 L160 Y161 P163 T166 K168 L171 I284 | L127-I286 HydrophobicContact CD1-CG2 3.85Å; L127-I286 HydrophobicContact CD2-CG2 3.8Å; A130-I286 HydrophobicContact CB-CD1 3.51Å; L160-I286 HydrophobicContact CB-CG1 4.37Å; L160-I286 HydrophobicContact CD2-CD1 4.48Å; Y161-I286 PolarHBondContact O-N 3.27Å; P163-I286 WeakPolarHBondContact CD-O 3.27Å; T166-I286 WeakPolarHBondContact OG1-CG2 3.42Å; K168-I286 HydrophobicContact CG-CB 4.12Å; K168-I286 HydrophobicContact CG-CG1 3.93Å; K168-I286 HydrophobicContact CG-CG2 4.35Å; L171-I286 HydrophobicContact CD2-CD1 3.6Å; L171-I286 HydrophobicContact CD2-CG1 4.49Å; I284-I286 HydrophobicContact CG2-CD1 3.98Å | ||
| 287 | P | 95.1 | Very high | 94.8 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -71.2 | 171.8 | -176.4 | 30.3 | -36.7 | 0 | 0 | 0 | 112.7 | L127 T166 Y285 | L127-P287 HydrophobicContact CD2-CG 4.13Å; T166-P287 WeakPolarHBondContact CG2-O 3.42Å; Y285-P287 HydrophobicContact CD1-CB 4.26Å; Y285-P287 HydrophobicContact CE1-CB 3.67Å; Y285-P287 WeakPolarHBondContact O-CD 3.48Å |
| 288 | L | 96.6 | Very high | 95.2 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.141 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 149.2 | 161.7 | -70.4 | 175.5 | 0 | 0 | 0 | 110.1 | P163 T166 G323 V413 L418 | P163-L288 HydrophobicContact CB-CD2 4.26Å; P163-L288 HydrophobicContact CG-CG 4.32Å; T166-L288 HydrophobicContact CG2-CD2 3.94Å; L288-G323 WeakPolarHBondContact CD1-O 3.34Å; L288-V413 HydrophobicContact CD1-CB 4.44Å; L288-V413 HydrophobicContact CD1-CG1 4.46Å; L288-V413 HydrophobicContact CD2-CG2 4.24Å; L288-L418 HydrophobicContact CD1-CD1 3.9Å; L288-L418 HydrophobicContact CD1-CD2 3.77Å; L288-L418 HydrophobicContact CD1-CG 4.36Å; L288-L418 HydrophobicContact CG-CD2 4.14Å |
| 289 | P | 96.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 142.4 | -177.1 | 27 | -35.3 | 0 | 0 | 0 | 113.2 | E293 R294 M297 Y324 | P289-E293 WeakPolarHBondContact CA-OE2 3.43Å; P289-E293 HydrophobicContact CB-CB 3.86Å; P289-R294 HydrophobicContact CB-CG 3.93Å; P289-R294 HydrophobicContact CG-CG 3.76Å; P289-R294 PolarHBondContact O-NH1 2.96Å; P289-M297 HydrophobicContact CB-CE 3.65Å; P289-M297 HydrophobicContact CB-SD 3.99Å; P289-M297 HydrophobicContact CG-CE 4.02Å; P289-M297 HydrophobicContact CG-SD 3.9Å; P289-Y324 WeakPolarHBondContact CD-O 3.41Å; P289-Y324 VanDerWaalsContact CG-O 3.32Å; P289-Y324 WeakPolarHBondContact CG-O 3.49Å |
| 290 | E | 96.3 | Very high | 95.7 | Very high | 143 Ų | 143 | 40.1 Ų | 40.1 | 67% | 0.668 | 22% | 0.219 | S | C | * | . | P | Polyproline II helix | trans | -73 | 167.4 | 172.6 | -66.1 | -166 | 171.9 | 0 | 0 | 112.3 | G292 E293 R294 | E290-G292 VanDerWaalsContact C-N 3.34Å; E290-G292 PolarHBondContact O-N 3.43Å; E290-E293 HydrophobicContact CB-CG 4.36Å; E290-E293 PolarHBondContact N-OE2 3.34Å; E290-E293 WeakPolarHBondContact O-CB 3.49Å; E290-E293 PolarHBondContact O-N 3.09Å; E290-R294 WeakPolarHBondContact O-CG 3.48Å; E290-R294 PolarHBondContact O-N 3.01Å |
| 291 | T | 97.2 | Very high | 95.9 | Very high | 67 Ų | 67 | 43 Ų | 43 | 41% | 0.411 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -53.5 | -47.7 | -176.3 | -55.1 | 0 | 0 | 0 | 0 | 112.6 | E293 R294 V295 | T291-E293 VanDerWaalsContact C-N 3.31Å; T291-E293 PolarHBondContact O-N 2.99Å; T291-R294 PolarHBondContact O-N 3.33Å; T291-R294 PolarHBondContact OG1-NH2 2.89Å; T291-V295 WeakPolarHBondContact O-CG2 3.47Å; T291-V295 PolarHBondContact O-N 3.28Å |
| 292 | G | 97.3 | Very high | 96.3 | Very high | 51 Ų | 51 | 38.9 Ų | 38.9 | 53% | 0.526 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.3 | -34.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E290 V295 S296 | E290-G292 VanDerWaalsContact C-N 3.34Å; E290-G292 PolarHBondContact O-N 3.43Å; G292-V295 PolarHBondContact O-N 3.38Å; G292-S296 PolarHBondContact O-N 3.38Å; G292-S296 PolarHBondContact O-OG 3.06Å |
| 293 | E | 97.4 | Very high | 96.3 | Very high | 37 Ų | 37 | 40.1 Ų | 40.1 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.2 | -41.2 | 176.2 | -58.8 | 175 | 153.5 | 0 | 0 | 110.6 | I125 G126 L127 P289 E290 T291 V295 S296 M297 | I125-E293 HydrophobicContact CG2-CB 4.13Å; I125-E293 WeakPolarHBondContact CG2-O 3.31Å; G126-E293 VanDerWaalsContact CA-CD 3.42Å; G126-E293 WeakPolarHBondContact CA-OE1 3.29Å; L127-E293 PolarHBondContact N-OE1 3.41Å; P289-E293 WeakPolarHBondContact CA-OE2 3.43Å; P289-E293 HydrophobicContact CB-CB 3.86Å; E290-E293 HydrophobicContact CB-CG 4.36Å; E290-E293 PolarHBondContact N-OE2 3.34Å; E290-E293 WeakPolarHBondContact O-CB 3.49Å; E290-E293 PolarHBondContact O-N 3.09Å; T291-E293 VanDerWaalsContact C-N 3.31Å; T291-E293 PolarHBondContact O-N 2.99Å; E293-V295 PolarHBondContact O-N 3.02Å; E293-S296 WeakPolarHBondContact O-CB 3.5Å; E293-S296 PolarHBondContact O-N 2.66Å; E293-M297 VanDerWaalsContact O-CG 3.3Å; E293-M297 WeakPolarHBondContact O-CG 3.3Å; E293-M297 PolarHBondContact O-N 3.05Å |
| 294 | R | 98 | Very high | 96 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 175.1 | -64 | -168 | -56.7 | -89.4 | 2.1 | 112.3 | P289 E290 T291 S296 M297 F298 G318 S321 T322 I329 | P289-R294 HydrophobicContact CB-CG 3.93Å; P289-R294 HydrophobicContact CG-CG 3.76Å; P289-R294 PolarHBondContact O-NH1 2.96Å; E290-R294 WeakPolarHBondContact O-CG 3.48Å; E290-R294 PolarHBondContact O-N 3.01Å; T291-R294 PolarHBondContact O-N 3.33Å; T291-R294 PolarHBondContact OG1-NH2 2.89Å; R294-S296 VanDerWaalsContact C-N 3.32Å; R294-S296 PolarHBondContact O-N 2.93Å; R294-M297 PolarHBondContact O-N 3.24Å; R294-F298 WeakPolarHBondContact O-CD2 3.21Å; R294-F298 PolarHBondContact O-N 2.94Å; R294-G318 PolarHBondContact NE-O 2.86Å; R294-G318 PolarHBondContact NH2-O 3.23Å; R294-S321 WeakPolarHBondContact CD-O 3.33Å; R294-S321 WeakPolarHBondContact CD-OG 3.27Å; R294-S321 PolarHBondContact NE-O 3.08Å; R294-S321 PolarHBondContact NE-OG 3.42Å; R294-S321 VanDerWaalsContact NE-OG 3.17Å; R294-T322 PolarHBondContact NH2-OG1 3.3Å; R294-I329 HydrophobicContact CB-CD1 3.8Å; R294-I329 HydrophobicContact CG-CD1 3.68Å |
| 295 | V | 97.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.085 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55 | -50.1 | 172.9 | 174 | 0 | 0 | 0 | 0 | 110.3 | T291 G292 E293 M297 F298 K299 F314 | T291-V295 WeakPolarHBondContact O-CG2 3.47Å; T291-V295 PolarHBondContact O-N 3.28Å; G292-V295 PolarHBondContact O-N 3.38Å; E293-V295 PolarHBondContact O-N 3.02Å; V295-M297 PolarHBondContact O-N 3.48Å; V295-F298 PolarHBondContact O-N 2.83Å; V295-K299 PolarHBondContact O-N 3.27Å; V295-F314 HydrophobicContact CG1-CB 3.97Å |
| 296 | S | 97.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 52 Ų | 52 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 177.6 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | G292 E293 R294 F298 K299 T300 | G292-S296 PolarHBondContact O-N 3.38Å; G292-S296 PolarHBondContact O-OG 3.06Å; E293-S296 WeakPolarHBondContact O-CB 3.5Å; E293-S296 PolarHBondContact O-N 2.66Å; R294-S296 VanDerWaalsContact C-N 3.32Å; R294-S296 PolarHBondContact O-N 2.93Å; S296-F298 PolarHBondContact O-N 3.42Å; S296-K299 PolarHBondContact O-N 3.11Å; S296-T300 PolarHBondContact O-N 3.19Å; S296-T300 PolarHBondContact O-OG1 3.29Å; S296-T300 VanDerWaalsContact O-OG1 3.13Å |
| 297 | M | 97.4 | Very high | 95.3 | Very high | 28 Ų | 28 | 54.8 Ų | 54.8 | 14% | 0.138 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.9 | -71.3 | 177.6 | -177.1 | 0 | 0 | 112.4 | I125 P289 E293 R294 V295 N301 I329 | I125-M297 HydrophobicContact CB-CE 4.25Å; I125-M297 HydrophobicContact CB-CG 4.23Å; I125-M297 HydrophobicContact CD1-CB 4.35Å; I125-M297 HydrophobicContact CD1-CG 3.81Å; I125-M297 HydrophobicContact CG2-CE 4.28Å; I125-M297 HydrophobicContact CG2-CG 4.05Å; P289-M297 HydrophobicContact CB-CE 3.65Å; P289-M297 HydrophobicContact CB-SD 3.99Å; P289-M297 HydrophobicContact CG-CE 4.02Å; P289-M297 HydrophobicContact CG-SD 3.9Å; E293-M297 VanDerWaalsContact O-CG 3.3Å; E293-M297 WeakPolarHBondContact O-CG 3.3Å; E293-M297 PolarHBondContact O-N 3.05Å; R294-M297 PolarHBondContact O-N 3.24Å; V295-M297 PolarHBondContact O-N 3.48Å; M297-N301 VanDerWaalsContact O-CB 3.26Å; M297-N301 WeakPolarHBondContact O-CB 3.49Å; M297-N301 VanDerWaalsContact O-CG 3.28Å; M297-N301 PolarHBondContact O-N 3.47Å; M297-I329 HydrophobicContact CB-CD1 4.05Å; M297-I329 HydrophobicContact CB-CG2 4.07Å; M297-I329 HydrophobicContact SD-CD1 3.92Å |
| 298 | F | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 174.4 | -81.8 | -69.3 | 0 | 0 | 0 | 112 | R294 V295 S296 L302 F314 L317 S321 I329 V332 V333 M402 L406 | R294-F298 WeakPolarHBondContact O-CD2 3.21Å; R294-F298 PolarHBondContact O-N 2.94Å; V295-F298 PolarHBondContact O-N 2.83Å; S296-F298 PolarHBondContact O-N 3.42Å; F298-L302 VanDerWaalsContact O-CB 3.3Å; F298-L302 WeakPolarHBondContact O-CB 3.23Å; F298-L302 PolarHBondContact O-N 3.16Å; F298-F314 HydrophobicContact CB-CD1 4.05Å; F298-L317 HydrophobicContact CD1-CB 4.45Å; F298-L317 HydrophobicContact CD1-CD1 4.25Å; F298-L317 HydrophobicContact CD2-CB 3.76Å; F298-L317 HydrophobicContact CE1-CB 4.44Å; F298-L317 HydrophobicContact CE2-CB 3.77Å; F298-L317 WeakPolarHBondContact CE2-O 3.32Å; F298-L317 HydrophobicContact CG-CB 4.13Å; F298-L317 HydrophobicContact CG-CD1 4.35Å; F298-L317 HydrophobicContact CZ-CB 4.13Å; F298-S321 WeakPolarHBondContact CE2-OG 3.48Å; F298-I329 HydrophobicContact CD1-CG2 3.79Å; F298-I329 HydrophobicContact CD2-CG2 4.25Å; F298-I329 HydrophobicContact CE1-CG2 3.79Å; F298-I329 HydrophobicContact CE2-CD1 4.34Å; F298-I329 HydrophobicContact CE2-CG1 4.28Å; F298-I329 HydrophobicContact CE2-CG2 4.22Å; F298-I329 HydrophobicContact CG-CG2 4.03Å; F298-I329 HydrophobicContact CZ-CG1 4.18Å; F298-I329 HydrophobicContact CZ-CG2 3.99Å; F298-V332 HydrophobicContact CE1-CB 4.5Å; F298-V332 HydrophobicContact CE1-CG1 3.99Å; F298-V333 HydrophobicContact CD1-CG2 3.66Å; F298-V333 HydrophobicContact CE1-CG2 4.12Å; F298-M402 HydrophobicContact CD1-CE 3.5Å; F298-M402 HydrophobicContact CE1-CE 3.76Å; F298-L406 HydrophobicContact CZ-CD1 4.49Å |
| 299 | K | 96.6 | Very high | 95.3 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 30% | 0.3 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.6 | -49.6 | 178 | -67.3 | -178.9 | -171.3 | -177.8 | 0 | 111.8 | V295 S296 N301 L302 G303 E311 F314 | V295-K299 PolarHBondContact O-N 3.27Å; S296-K299 PolarHBondContact O-N 3.11Å; K299-N301 PolarHBondContact O-N 3.04Å; K299-L302 PolarHBondContact O-N 3.39Å; K299-G303 PolarHBondContact O-N 3.42Å; K299-E311 WeakPolarHBondContact CE-OE1 3.36Å; K299-E311 WeakPolarHBondContact CE-OE2 3.43Å; K299-E311 IonicContact NZ-OE1 3.92Å; K299-E311 PolarHBondContact NZ-OE1 3.25Å; K299-E311 IonicContact NZ-OE2 3.74Å; K299-E311 PolarHBondContact NZ-OE2 2.91Å; K299-F314 HydrophobicContact CB-CD1 4.5Å; K299-F314 HydrophobicContact CB-CE1 4.42Å; K299-F314 HydrophobicContact CD-CG 4.4Å; K299-F314 HydrophobicContact CG-CB 4.28Å; K299-F314 HydrophobicContact CG-CD1 3.5Å; K299-F314 HydrophobicContact CG-CD2 4.1Å; K299-F314 HydrophobicContact CG-CE1 3.73Å; K299-F314 HydrophobicContact CG-CE2 4.31Å; K299-F314 HydrophobicContact CG-CG 3.7Å; K299-F314 HydrophobicContact CG-CZ 4.13Å |
| 300 | T | 95.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 59 Ų | 59 | 58% | 0.577 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | -179 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | I125 S296 L302 G303 | I125-T300 HydrophobicContact CD1-CG2 4.31Å; S296-T300 PolarHBondContact O-N 3.19Å; S296-T300 PolarHBondContact O-OG1 3.29Å; S296-T300 VanDerWaalsContact O-OG1 3.13Å; T300-L302 VanDerWaalsContact C-N 3.34Å; T300-L302 PolarHBondContact O-N 3.2Å; T300-G303 PolarHBondContact O-N 3.19Å |
| 301 | N | 95 | Very high | 95.2 | Very high | 61 Ų | 61 | 57 Ų | 57 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.4 | -28.8 | 179.3 | -75.4 | -10.9 | 0 | 0 | 0 | 113.1 | M297 K299 S330 V333 | M297-N301 VanDerWaalsContact O-CB 3.26Å; M297-N301 WeakPolarHBondContact O-CB 3.49Å; M297-N301 VanDerWaalsContact O-CG 3.28Å; M297-N301 PolarHBondContact O-N 3.47Å; K299-N301 PolarHBondContact O-N 3.04Å; N301-S330 WeakPolarHBondContact ND2-CA 3.1Å; N301-S330 PolarHBondContact ND2-N 2.77Å; N301-V333 HydrophobicContact CB-CB 4.05Å; N301-V333 HydrophobicContact CB-CG1 3.95Å; N301-V333 HydrophobicContact CB-CG2 3.85Å |
| 302 | L | 94.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -75.4 | -34.6 | 175.5 | -169.3 | 67.3 | 0 | 0 | 0 | 111.6 | F298 K299 T300 H307 L309 F314 V333 L337 | F298-L302 VanDerWaalsContact O-CB 3.3Å; F298-L302 WeakPolarHBondContact O-CB 3.23Å; F298-L302 PolarHBondContact O-N 3.16Å; K299-L302 PolarHBondContact O-N 3.39Å; T300-L302 VanDerWaalsContact C-N 3.34Å; T300-L302 PolarHBondContact O-N 3.2Å; L302-H307 HydrophobicContact CD2-CB 4.03Å; L302-H307 WeakPolarHBondContact CD2-CD2 3.31Å; L302-L309 HydrophobicContact CD2-CD1 3.64Å; L302-F314 HydrophobicContact CD2-CE1 3.84Å; L302-F314 HydrophobicContact CD2-CZ 3.78Å; L302-V333 HydrophobicContact CD1-CG1 4.46Å; L302-L337 HydrophobicContact CD1-CD2 3.79Å |
| 303 | G | 92.4 | Very high | 95.3 | Very high | 38 Ų | 38 | 61.2 Ų | 61.2 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -139.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K299 T300 I305 | K299-G303 PolarHBondContact O-N 3.42Å; T300-G303 PolarHBondContact O-N 3.19Å; G303-I305 VanDerWaalsContact C-N 3.34Å |
| 304 | N | 89.3 | Confident | 95.3 | Very high | 178 Ų | 178 | 60.1 Ų | 60.1 | 95% | 0.952 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 17.9 | -175.7 | -61.9 | -26.9 | 0 | 0 | 0 | 113.4 | ||
| 305 | I | 89.9 | Confident | 95.3 | Very high | 78 Ų | 78 | 63.9 Ų | 63.9 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -68.8 | 148.8 | -180 | -67.3 | 171.2 | 0 | 0 | 0 | 109.9 | G303 H307 L337 V397 | G303-I305 VanDerWaalsContact C-N 3.34Å; I305-H307 PolarHBondContact O-CD2 3.26Å; I305-H307 PolarHBondContact O-N 3.42Å; I305-H307 VanDerWaalsContact O-N 3.12Å; I305-L337 HydrophobicContact CB-CD2 4.32Å; I305-L337 HydrophobicContact CD1-CD1 3.59Å; I305-L337 HydrophobicContact CD1-CD2 3.46Å; I305-L337 VanDerWaalsContact CD1-CD2 3.46Å; I305-L337 HydrophobicContact CD1-CG 4.14Å; I305-L337 HydrophobicContact CG1-CD2 4.47Å; I305-L337 HydrophobicContact CG2-CD2 3.95Å; I305-V397 HydrophobicContact CG2-CG2 4.49Å |
| 306 | F | 89 | Confident | 95.2 | Very high | 92 Ų | 92 | 66.8 Ų | 66.8 | 40% | 0.404 | 36% | 0.356 | S | S | . | . | trans | -66.7 | 110.9 | 177.8 | -174.7 | -127.4 | 0 | 0 | 0 | 111.6 | P396 V397 | F306-P396 HydrophobicContact CD1-CB 3.76Å; F306-P396 HydrophobicContact CE1-CB 3.66Å; F306-P396 HydrophobicContact CE1-CG 4.03Å; F306-P396 HydrophobicContact CG-CB 4.35Å; F306-P396 HydrophobicContact CZ-CB 4.16Å; F306-P396 HydrophobicContact CZ-CG 4.48Å; F306-P396 WeakPolarHBondContact O-CA 3.06Å; F306-V397 PolarHBondContact O-N 3.4Å; F306-V397 VanDerWaalsContact O-N 3.12Å | ||
| 307 | H | 94.6 | Very high | 95.3 | Very high | 58 Ų | 58 | 64.2 Ų | 64.2 | 27% | 0.269 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -136.6 | 159.5 | -179.6 | 66.7 | 76.2 | 0 | 0 | 0 | 111.7 | L302 I305 L309 V397 | L302-H307 HydrophobicContact CD2-CB 4.03Å; L302-H307 WeakPolarHBondContact CD2-CD2 3.31Å; I305-H307 PolarHBondContact O-CD2 3.26Å; I305-H307 PolarHBondContact O-N 3.42Å; I305-H307 VanDerWaalsContact O-N 3.12Å; H307-L309 HydrophobicContact CB-CG 4.48Å; H307-L309 PolarHBondContact CE1-O 3.11Å; H307-L309 PolarHBondContact ND1-N 3.44Å; H307-L309 PolarHBondContact ND1-O 2.84Å; H307-V397 CarbonylContact C-O 3.58Å; H307-V397 VanDerWaalsContact CA-O 3.26Å; H307-V397 WeakPolarHBondContact CA-O 3.44Å; H307-V397 HydrophobicContact CB-CB 4.15Å; H307-V397 WeakPolarHBondContact CB-O 3.38Å |
| 308 | S | 95.2 | Very high | 95.3 | Very high | 66 Ų | 66 | 62.9 Ų | 62.9 | 46% | 0.462 | 33% | 0.331 | S | S | . | . | trans | -101.5 | 5.1 | 175.7 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | V397 A398 | S308-V397 PolarHBondContact N-O 3.4Å; S308-A398 WeakPolarHBondContact OG-CA 3.32Å | ||
| 309 | L | 96 | Very high | 95.3 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | trans | -67 | 135 | -179.7 | -55.1 | 176.9 | 0 | 0 | 0 | 112.6 | L302 H307 D313 F314 L317 M399 M402 | L302-L309 HydrophobicContact CD2-CD1 3.64Å; H307-L309 HydrophobicContact CB-CG 4.48Å; H307-L309 PolarHBondContact CE1-O 3.11Å; H307-L309 PolarHBondContact ND1-N 3.44Å; H307-L309 PolarHBondContact ND1-O 2.84Å; L309-D313 WeakPolarHBondContact CA-OD2 3.49Å; L309-D313 HydrophobicContact CB-CB 4.24Å; L309-D313 HydrophobicContact CD2-CB 4.02Å; L309-F314 HydrophobicContact CB-CE2 3.9Å; L309-F314 HydrophobicContact CB-CZ 3.86Å; L309-F314 HydrophobicContact CD1-CE1 3.97Å; L309-F314 HydrophobicContact CD1-CZ 4.01Å; L309-L317 HydrophobicContact CD1-CD1 4.46Å; L309-M399 VanDerWaalsContact CD2-CA 3.45Å; L309-M399 HydrophobicContact CD2-CB 3.72Å; L309-M399 HydrophobicContact CD2-CG 4.46Å; L309-M399 HydrophobicContact CD2-SD 4.06Å; L309-M402 HydrophobicContact CD1-CG 3.96Å; L309-M402 HydrophobicContact CD2-CG 4.33Å | ||
| 310 | V | 95.9 | Very high | 95.3 | Very high | 85 Ų | 85 | 68 Ų | 68 | 52% | 0.515 | 36% | 0.359 | S | S | . | . | trans | -103.5 | 169.6 | 170.8 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | K312 D313 F314 | V310-K312 HydrophobicContact CG2-CB 4.28Å; V310-K312 PolarHBondContact O-N 3.03Å; V310-K312 VanDerWaalsContact O-N 3.12Å; V310-D313 WeakPolarHBondContact CG2-OD2 3.3Å; V310-D313 PolarHBondContact N-OD2 2.97Å; V310-D313 WeakPolarHBondContact O-CB 3.37Å; V310-D313 PolarHBondContact O-N 2.92Å; V310-F314 VanDerWaalsContact O-CD2 3.27Å; V310-F314 WeakPolarHBondContact O-CD2 3.49Å; V310-F314 PolarHBondContact O-N 3.28Å | ||
| 311 | E | 96.2 | Very high | 95.3 | Very high | 103 Ų | 103 | 63.5 Ų | 63.5 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -50.8 | -40.5 | -179.2 | -173.2 | 57.8 | -149.9 | 0 | 0 | 113.7 | K299 D313 F314 I315 | K299-E311 WeakPolarHBondContact CE-OE1 3.36Å; K299-E311 WeakPolarHBondContact CE-OE2 3.43Å; K299-E311 IonicContact NZ-OE1 3.92Å; K299-E311 PolarHBondContact NZ-OE1 3.25Å; K299-E311 IonicContact NZ-OE2 3.74Å; K299-E311 PolarHBondContact NZ-OE2 2.91Å; E311-D313 VanDerWaalsContact C-N 3.28Å; E311-D313 PolarHBondContact O-N 3.38Å; E311-F314 PolarHBondContact O-N 2.95Å; E311-I315 HydrophobicContact CG-CD1 4.42Å; E311-I315 WeakPolarHBondContact O-CG1 3.26Å; E311-I315 PolarHBondContact O-N 2.91Å |
| 312 | K | 97.2 | Very high | 95.4 | Very high | 167 Ų | 167 | 65.3 Ų | 65.3 | 73% | 0.726 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.1 | -33 | 177.7 | -66.8 | -175.9 | 178.7 | -178.9 | 0 | 112.9 | V310 I315 E316 | V310-K312 HydrophobicContact CG2-CB 4.28Å; V310-K312 PolarHBondContact O-N 3.03Å; V310-K312 VanDerWaalsContact O-N 3.12Å; K312-I315 PolarHBondContact O-N 3.33Å; K312-E316 PolarHBondContact O-N 3.35Å |
| 313 | D | 97.5 | Very high | 95.3 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 178.7 | -60.1 | -35 | 0 | 0 | 0 | 110.6 | L309 V310 E311 I315 E316 L317 M399 | L309-D313 WeakPolarHBondContact CA-OD2 3.49Å; L309-D313 HydrophobicContact CB-CB 4.24Å; L309-D313 HydrophobicContact CD2-CB 4.02Å; V310-D313 WeakPolarHBondContact CG2-OD2 3.3Å; V310-D313 PolarHBondContact N-OD2 2.97Å; V310-D313 WeakPolarHBondContact O-CB 3.37Å; V310-D313 PolarHBondContact O-N 2.92Å; E311-D313 VanDerWaalsContact C-N 3.28Å; E311-D313 PolarHBondContact O-N 3.38Å; D313-I315 VanDerWaalsContact C-N 3.35Å; D313-I315 PolarHBondContact O-N 3.1Å; D313-E316 PolarHBondContact O-N 3.44Å; D313-L317 VanDerWaalsContact O-CG 3.29Å; D313-L317 WeakPolarHBondContact O-CG 3.2Å; D313-L317 PolarHBondContact O-N 2.96Å; D313-M399 HydrophobicContact CB-CE 4.4Å; D313-M399 HydrophobicContact CB-CG 4.5Å; D313-M399 HydrophobicContact CB-SD 3.93Å |
| 314 | F | 97.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 6% | 0.057 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176 | -65.2 | -75.7 | 0 | 0 | 0 | 112.2 | V295 F298 K299 L302 L309 V310 E311 E316 L317 G318 | V295-F314 HydrophobicContact CG1-CB 3.97Å; F298-F314 HydrophobicContact CB-CD1 4.05Å; K299-F314 HydrophobicContact CB-CD1 4.5Å; K299-F314 HydrophobicContact CB-CE1 4.42Å; K299-F314 HydrophobicContact CD-CG 4.4Å; K299-F314 HydrophobicContact CG-CB 4.28Å; K299-F314 HydrophobicContact CG-CD1 3.5Å; K299-F314 HydrophobicContact CG-CD2 4.1Å; K299-F314 HydrophobicContact CG-CE1 3.73Å; K299-F314 HydrophobicContact CG-CE2 4.31Å; K299-F314 HydrophobicContact CG-CG 3.7Å; K299-F314 HydrophobicContact CG-CZ 4.13Å; L302-F314 HydrophobicContact CD2-CE1 3.84Å; L302-F314 HydrophobicContact CD2-CZ 3.78Å; L309-F314 HydrophobicContact CB-CE2 3.9Å; L309-F314 HydrophobicContact CB-CZ 3.86Å; L309-F314 HydrophobicContact CD1-CE1 3.97Å; L309-F314 HydrophobicContact CD1-CZ 4.01Å; V310-F314 VanDerWaalsContact O-CD2 3.27Å; V310-F314 WeakPolarHBondContact O-CD2 3.49Å; V310-F314 PolarHBondContact O-N 3.28Å; E311-F314 PolarHBondContact O-N 2.95Å; F314-E316 VanDerWaalsContact C-N 3.33Å; F314-L317 PolarHBondContact O-N 2.92Å; F314-G318 PolarHBondContact O-N 3.48Å |
| 315 | I | 97.8 | Very high | 96 | Very high | 91 Ų | 91 | 57 Ų | 57 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 174.6 | -64.9 | 169.2 | 0 | 0 | 0 | 110.4 | E311 K312 D313 G318 A319 | E311-I315 HydrophobicContact CG-CD1 4.42Å; E311-I315 WeakPolarHBondContact O-CG1 3.26Å; E311-I315 PolarHBondContact O-N 2.91Å; K312-I315 PolarHBondContact O-N 3.33Å; D313-I315 VanDerWaalsContact C-N 3.35Å; D313-I315 PolarHBondContact O-N 3.1Å; I315-G318 PolarHBondContact O-N 3Å; I315-A319 PolarHBondContact O-N 2.87Å |
| 316 | E | 97.7 | Very high | 96.3 | Very high | 74 Ų | 74 | 54.2 Ų | 54.2 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 177.3 | -177.6 | 65.2 | -175.2 | 0 | 0 | 112 | K312 D313 F314 G318 A319 R320 M399 | K312-E316 PolarHBondContact O-N 3.35Å; D313-E316 PolarHBondContact O-N 3.44Å; F314-E316 VanDerWaalsContact C-N 3.33Å; E316-G318 VanDerWaalsContact C-N 3.32Å; E316-G318 PolarHBondContact O-N 2.92Å; E316-A319 PolarHBondContact O-N 3.48Å; E316-R320 WeakPolarHBondContact O-CG 3.3Å; E316-R320 PolarHBondContact O-N 3.16Å; E316-R320 IonicContact OE1-CZ 3.87Å; E316-R320 IonicContact OE1-NE 3.96Å; E316-R320 PolarHBondContact OE1-NE 3.41Å; E316-R320 IonicContact OE1-NH2 3.36Å; E316-R320 PolarHBondContact OE1-NH2 3.45Å; E316-M399 HydrophobicContact CB-CE 3.99Å; E316-M399 HydrophobicContact CG-CE 3.79Å |
| 317 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 174.9 | -69.8 | 171.1 | 0 | 0 | 0 | 111.7 | F298 L309 D313 F314 A319 R320 S321 M399 M402 L403 | F298-L317 HydrophobicContact CD1-CB 4.45Å; F298-L317 HydrophobicContact CD1-CD1 4.25Å; F298-L317 HydrophobicContact CD2-CB 3.76Å; F298-L317 HydrophobicContact CE1-CB 4.44Å; F298-L317 HydrophobicContact CE2-CB 3.77Å; F298-L317 WeakPolarHBondContact CE2-O 3.32Å; F298-L317 HydrophobicContact CG-CB 4.13Å; F298-L317 HydrophobicContact CG-CD1 4.35Å; F298-L317 HydrophobicContact CZ-CB 4.13Å; L309-L317 HydrophobicContact CD1-CD1 4.46Å; D313-L317 VanDerWaalsContact O-CG 3.29Å; D313-L317 WeakPolarHBondContact O-CG 3.2Å; D313-L317 PolarHBondContact O-N 2.96Å; F314-L317 PolarHBondContact O-N 2.92Å; L317-A319 VanDerWaalsContact C-N 3.35Å; L317-A319 PolarHBondContact O-N 3.32Å; L317-R320 PolarHBondContact O-N 2.9Å; L317-S321 VanDerWaalsContact O-CB 3.3Å; L317-S321 WeakPolarHBondContact O-CB 3.36Å; L317-S321 PolarHBondContact O-N 3.18Å; L317-S321 VanDerWaalsContact O-N 3.12Å; L317-S321 PolarHBondContact O-OG 3.02Å; L317-M399 HydrophobicContact CD1-SD 4.24Å; L317-M399 HydrophobicContact CD2-CE 3.95Å; L317-M399 HydrophobicContact CD2-SD 3.98Å; L317-M399 HydrophobicContact CG-CE 3.94Å; L317-M399 HydrophobicContact CG-SD 3.99Å; L317-M402 HydrophobicContact CD1-CB 4.11Å; L317-M402 HydrophobicContact CD1-CE 3.65Å; L317-M402 HydrophobicContact CD1-CG 4.16Å; L317-M402 HydrophobicContact CD2-CB 3.75Å; L317-L403 HydrophobicContact CD2-CD2 4.45Å |
| 318 | G | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R294 F314 I315 E316 S321 | R294-G318 PolarHBondContact NE-O 2.86Å; R294-G318 PolarHBondContact NH2-O 3.23Å; F314-G318 PolarHBondContact O-N 3.48Å; I315-G318 PolarHBondContact O-N 3Å; E316-G318 VanDerWaalsContact C-N 3.32Å; E316-G318 PolarHBondContact O-N 2.92Å; G318-S321 PolarHBondContact O-OG 3.37Å; G318-S321 VanDerWaalsContact O-OG 3.04Å |
| 319 | A | 97.3 | Very high | 96.9 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 40% | 0.397 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | I315 E316 L317 S321 T322 | I315-A319 PolarHBondContact O-N 2.87Å; E316-A319 PolarHBondContact O-N 3.48Å; L317-A319 VanDerWaalsContact C-N 3.35Å; L317-A319 PolarHBondContact O-N 3.32Å; A319-S321 VanDerWaalsContact C-N 3.34Å; A319-S321 PolarHBondContact O-N 2.89Å; A319-T322 PolarHBondContact O-OG1 3.35Å; A319-T322 VanDerWaalsContact O-OG1 3.12Å |
| 320 | R | 96.7 | Very high | 97 | Very high | 128 Ų | 128 | 47.9 Ų | 47.9 | 48% | 0.483 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.9 | -20.6 | -178.4 | -68 | -172.6 | -175.7 | -140.8 | -0.7 | 114.5 | E316 L317 T322 L406 | E316-R320 WeakPolarHBondContact O-CG 3.3Å; E316-R320 PolarHBondContact O-N 3.16Å; E316-R320 IonicContact OE1-CZ 3.87Å; E316-R320 IonicContact OE1-NE 3.96Å; E316-R320 PolarHBondContact OE1-NE 3.41Å; E316-R320 IonicContact OE1-NH2 3.36Å; E316-R320 PolarHBondContact OE1-NH2 3.45Å; L317-R320 PolarHBondContact O-N 2.9Å; R320-T322 VanDerWaalsContact C-N 3.28Å; R320-T322 PolarHBondContact O-N 3.26Å; R320-L406 HydrophobicContact CB-CD2 3.43Å; R320-L406 VanDerWaalsContact CB-CD2 3.43Å |
| 321 | S | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 29.5 | -178.1 | 54 | 0 | 0 | 0 | 0 | 113.7 | R294 F298 L317 G318 A319 G323 Y324 | R294-S321 WeakPolarHBondContact CD-O 3.33Å; R294-S321 WeakPolarHBondContact CD-OG 3.27Å; R294-S321 PolarHBondContact NE-O 3.08Å; R294-S321 PolarHBondContact NE-OG 3.42Å; R294-S321 VanDerWaalsContact NE-OG 3.17Å; F298-S321 WeakPolarHBondContact CE2-OG 3.48Å; L317-S321 VanDerWaalsContact O-CB 3.3Å; L317-S321 WeakPolarHBondContact O-CB 3.36Å; L317-S321 PolarHBondContact O-N 3.18Å; L317-S321 VanDerWaalsContact O-N 3.12Å; L317-S321 PolarHBondContact O-OG 3.02Å; G318-S321 PolarHBondContact O-OG 3.37Å; G318-S321 VanDerWaalsContact O-OG 3.04Å; A319-S321 VanDerWaalsContact C-N 3.34Å; A319-S321 PolarHBondContact O-N 2.89Å; S321-G323 PolarHBondContact O-N 3.32Å; S321-Y324 VanDerWaalsContact C-CD2 3.42Å; S321-Y324 WeakPolarHBondContact O-CB 3.46Å; S321-Y324 WeakPolarHBondContact O-CD2 3.03Å; S321-Y324 PolarHBondContact O-N 3Å; S321-Y324 VanDerWaalsContact O-N 3.09Å |
| 322 | T | 95.4 | Very high | 97.1 | Very high | 98 Ų | 98 | 42 Ų | 42 | 60% | 0.601 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 127.8 | 178.5 | -64.7 | 0 | 0 | 0 | 0 | 110.8 | R294 A319 R320 | R294-T322 PolarHBondContact NH2-OG1 3.3Å; A319-T322 PolarHBondContact O-OG1 3.35Å; A319-T322 VanDerWaalsContact O-OG1 3.12Å; R320-T322 VanDerWaalsContact C-N 3.28Å; R320-T322 PolarHBondContact O-N 3.26Å |
| 323 | G | 94.9 | Very high | 97.1 | Very high | 24 Ų | 24 | 34.2 Ų | 34.2 | 25% | 0.247 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -2.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L288 S321 | L288-G323 WeakPolarHBondContact CD1-O 3.34Å; S321-G323 PolarHBondContact O-N 3.32Å |
| 324 | Y | 97.3 | Very high | 97 | Very high | 19 Ų | 19 | 40 Ų | 40 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | trans | -78.8 | 138.6 | 178.4 | -74.8 | -123.5 | 0 | 0 | 0 | 110.5 | P289 S321 D328 V332 L406 N409 P411 | P289-Y324 WeakPolarHBondContact CD-O 3.41Å; P289-Y324 VanDerWaalsContact CG-O 3.32Å; P289-Y324 WeakPolarHBondContact CG-O 3.49Å; S321-Y324 VanDerWaalsContact C-CD2 3.42Å; S321-Y324 WeakPolarHBondContact O-CB 3.46Å; S321-Y324 WeakPolarHBondContact O-CD2 3.03Å; S321-Y324 PolarHBondContact O-N 3Å; S321-Y324 VanDerWaalsContact O-N 3.09Å; Y324-D328 HydrophobicContact CD1-CB 3.54Å; Y324-D328 HydrophobicContact CE1-CB 4.39Å; Y324-D328 HydrophobicContact CG-CB 4.09Å; Y324-V332 HydrophobicContact CD1-CG2 4.34Å; Y324-V332 HydrophobicContact CE1-CG2 3.95Å; Y324-L406 HydrophobicContact CD1-CD1 4.25Å; Y324-L406 HydrophobicContact CE1-CD1 3.62Å; Y324-L406 HydrophobicContact CE2-CD1 4.39Å; Y324-L406 PolarHBondContact OH-O 3.4Å; Y324-N409 WeakPolarHBondContact CE1-O 3.44Å; Y324-N409 VanDerWaalsContact CZ-O 3.26Å; Y324-N409 PolarHBondContact OH-O 3.34Å; Y324-P411 HydrophobicContact CD2-CB 3.95Å; Y324-P411 HydrophobicContact CD2-CG 4.44Å; Y324-P411 HydrophobicContact CE2-CB 4.07Å; Y324-P411 HydrophobicContact CE2-CG 4.16Å; Y324-P411 HydrophobicContact CG-CB 4.41Å | ||
| 325 | S | 97.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | trans | -80.6 | 169 | 167.1 | 69.7 | 0 | 0 | 0 | 0 | 111.4 | A327 D328 I329 | S325-A327 PolarHBondContact O-N 3.01Å; S325-D328 WeakPolarHBondContact CB-OD2 3.45Å; S325-D328 PolarHBondContact N-OD2 2.99Å; S325-D328 PolarHBondContact O-N 3.16Å; S325-D328 VanDerWaalsContact O-N 3.16Å; S325-D328 PolarHBondContact OG-N 3.36Å; S325-D328 PolarHBondContact OG-OD2 3.12Å; S325-I329 WeakPolarHBondContact O-CG1 3.37Å; S325-I329 PolarHBondContact O-N 3.17Å | ||
| 326 | G | 96.6 | Very high | 96.9 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.5 | -33.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G165 S330 | G165-G326 PolarHBondContact O-N 3.15Å; G165-G326 VanDerWaalsContact O-N 3.09Å; G326-S330 PolarHBondContact O-N 3.47Å |
| 327 | A | 96.7 | Very high | 96.8 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 38% | 0.38 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G165 S325 I329 S330 V331 | G165-A327 PolarHBondContact O-N 3.37Å; G165-A327 VanDerWaalsContact O-N 3.12Å; S325-A327 PolarHBondContact O-N 3.01Å; A327-I329 VanDerWaalsContact C-N 3.34Å; A327-I329 PolarHBondContact O-N 2.96Å; A327-S330 WeakPolarHBondContact O-CB 3.25Å; A327-S330 PolarHBondContact O-N 3Å; A327-V331 WeakPolarHBondContact O-CG2 3.44Å; A327-V331 PolarHBondContact O-N 3.13Å |
| 328 | D | 97.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 177.4 | -59 | -49.2 | 0 | 0 | 0 | 110.8 | Y324 S325 S330 V331 V332 T412 | Y324-D328 HydrophobicContact CD1-CB 3.54Å; Y324-D328 HydrophobicContact CE1-CB 4.39Å; Y324-D328 HydrophobicContact CG-CB 4.09Å; S325-D328 WeakPolarHBondContact CB-OD2 3.45Å; S325-D328 PolarHBondContact N-OD2 2.99Å; S325-D328 PolarHBondContact O-N 3.16Å; S325-D328 VanDerWaalsContact O-N 3.16Å; S325-D328 PolarHBondContact OG-N 3.36Å; S325-D328 PolarHBondContact OG-OD2 3.12Å; D328-S330 VanDerWaalsContact C-N 3.33Å; D328-S330 PolarHBondContact O-N 3.21Å; D328-V331 PolarHBondContact O-N 3.43Å; D328-V332 WeakPolarHBondContact O-CG2 3.36Å; D328-V332 PolarHBondContact O-N 3.35Å; D328-T412 VanDerWaalsContact OD1-CB 3.28Å; D328-T412 WeakPolarHBondContact OD1-CB 3.41Å; D328-T412 PolarHBondContact OD1-N 2.59Å; D328-T412 PolarHBondContact OD1-OG1 2.96Å; D328-T412 PolarHBondContact OD2-N 3.26Å |
| 329 | I | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 176.9 | -66.1 | 172 | 0 | 0 | 0 | 111.2 | R294 M297 F298 S325 A327 V331 V332 V333 | R294-I329 HydrophobicContact CB-CD1 3.8Å; R294-I329 HydrophobicContact CG-CD1 3.68Å; M297-I329 HydrophobicContact CB-CD1 4.05Å; M297-I329 HydrophobicContact CB-CG2 4.07Å; M297-I329 HydrophobicContact SD-CD1 3.92Å; F298-I329 HydrophobicContact CD1-CG2 3.79Å; F298-I329 HydrophobicContact CD2-CG2 4.25Å; F298-I329 HydrophobicContact CE1-CG2 3.79Å; F298-I329 HydrophobicContact CE2-CD1 4.34Å; F298-I329 HydrophobicContact CE2-CG1 4.28Å; F298-I329 HydrophobicContact CE2-CG2 4.22Å; F298-I329 HydrophobicContact CG-CG2 4.03Å; F298-I329 HydrophobicContact CZ-CG1 4.18Å; F298-I329 HydrophobicContact CZ-CG2 3.99Å; S325-I329 WeakPolarHBondContact O-CG1 3.37Å; S325-I329 PolarHBondContact O-N 3.17Å; A327-I329 VanDerWaalsContact C-N 3.34Å; A327-I329 PolarHBondContact O-N 2.96Å; I329-V331 VanDerWaalsContact C-N 3.31Å; I329-V331 PolarHBondContact O-N 2.87Å; I329-V332 PolarHBondContact O-N 3.04Å; I329-V333 HydrophobicContact CG2-CG2 4.35Å; I329-V333 WeakPolarHBondContact O-CG2 3.39Å; I329-V333 PolarHBondContact O-N 3.2Å |
| 330 | S | 97 | Very high | 96.4 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 27% | 0.266 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.8 | -40.2 | 175.6 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | N301 G326 A327 D328 R334 | N301-S330 WeakPolarHBondContact ND2-CA 3.1Å; N301-S330 PolarHBondContact ND2-N 2.77Å; G326-S330 PolarHBondContact O-N 3.47Å; A327-S330 WeakPolarHBondContact O-CB 3.25Å; A327-S330 PolarHBondContact O-N 3Å; D328-S330 VanDerWaalsContact C-N 3.33Å; D328-S330 PolarHBondContact O-N 3.21Å; S330-R334 VanDerWaalsContact O-CB 3.23Å; S330-R334 WeakPolarHBondContact O-CB 3.46Å; S330-R334 PolarHBondContact O-N 3.12Å |
| 331 | V | 97 | Very high | 96.3 | Very high | 65 Ų | 65 | 35.7 Ų | 35.7 | 39% | 0.394 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.1 | -46.8 | 175.8 | 174 | 0 | 0 | 0 | 0 | 110.9 | A327 D328 I329 V333 R334 E335 N409 | A327-V331 WeakPolarHBondContact O-CG2 3.44Å; A327-V331 PolarHBondContact O-N 3.13Å; D328-V331 PolarHBondContact O-N 3.43Å; I329-V331 VanDerWaalsContact C-N 3.31Å; I329-V331 PolarHBondContact O-N 2.87Å; V331-V333 PolarHBondContact O-N 3.29Å; V331-R334 PolarHBondContact O-N 3.12Å; V331-E335 PolarHBondContact O-N 3.45Å; V331-N409 WeakPolarHBondContact CG1-OD1 3.42Å |
| 332 | V | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.9 | -49.4 | 178 | 171.3 | 0 | 0 | 0 | 0 | 111 | F298 Y324 D328 I329 E335 A336 S405 L406 N409 | F298-V332 HydrophobicContact CE1-CB 4.5Å; F298-V332 HydrophobicContact CE1-CG1 3.99Å; Y324-V332 HydrophobicContact CD1-CG2 4.34Å; Y324-V332 HydrophobicContact CE1-CG2 3.95Å; D328-V332 WeakPolarHBondContact O-CG2 3.36Å; D328-V332 PolarHBondContact O-N 3.35Å; I329-V332 PolarHBondContact O-N 3.04Å; V332-E335 PolarHBondContact O-N 2.89Å; V332-A336 PolarHBondContact O-N 2.94Å; V332-S405 VanDerWaalsContact CA-OG 3.29Å; V332-S405 WeakPolarHBondContact CA-OG 3.37Å; V332-S405 WeakPolarHBondContact O-CB 3.45Å; V332-S405 PolarHBondContact O-OG 3.48Å; V332-L406 HydrophobicContact CG1-CB 4.32Å; V332-L406 HydrophobicContact CG1-CD1 4.2Å; V332-L406 HydrophobicContact CG2-CD1 4.07Å; V332-N409 HydrophobicContact CG2-CB 3.83Å |
| 333 | V | 97.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 179 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | F298 N301 L302 I329 V331 E335 A336 L337 M402 | F298-V333 HydrophobicContact CD1-CG2 3.66Å; F298-V333 HydrophobicContact CE1-CG2 4.12Å; N301-V333 HydrophobicContact CB-CB 4.05Å; N301-V333 HydrophobicContact CB-CG1 3.95Å; N301-V333 HydrophobicContact CB-CG2 3.85Å; L302-V333 HydrophobicContact CD1-CG1 4.46Å; I329-V333 HydrophobicContact CG2-CG2 4.35Å; I329-V333 WeakPolarHBondContact O-CG2 3.39Å; I329-V333 PolarHBondContact O-N 3.2Å; V331-V333 PolarHBondContact O-N 3.29Å; V333-E335 VanDerWaalsContact C-N 3.32Å; V333-E335 PolarHBondContact O-N 3.4Å; V333-A336 WeakPolarHBondContact O-CB 3.46Å; V333-A336 PolarHBondContact O-N 3.28Å; V333-A336 VanDerWaalsContact O-N 3.08Å; V333-L337 HydrophobicContact CG1-CD1 4.19Å; V333-L337 HydrophobicContact CG1-CG 4.16Å; V333-L337 VanDerWaalsContact O-CG 3.31Å; V333-L337 WeakPolarHBondContact O-CG 3.26Å; V333-L337 PolarHBondContact O-N 2.94Å; V333-M402 HydrophobicContact CG2-CE 3.95Å |
| 334 | R | 96.3 | Very high | 96.1 | Very high | 160 Ų | 160 | 37.5 Ų | 37.5 | 60% | 0.604 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -59 | -40.8 | 179.4 | -170.9 | -173.7 | -54.1 | 177.6 | 4.6 | 112.6 | S330 V331 M338 | S330-R334 VanDerWaalsContact O-CB 3.23Å; S330-R334 WeakPolarHBondContact O-CB 3.46Å; S330-R334 PolarHBondContact O-N 3.12Å; V331-R334 PolarHBondContact O-N 3.12Å; R334-M338 PolarHBondContact O-N 3.03Å |
| 335 | E | 95.7 | Very high | 95.9 | Very high | 36 Ų | 36 | 42 Ų | 42 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 175.1 | 174 | 171.1 | -173.8 | 0 | 0 | 111.6 | V331 V332 V333 L337 M338 R342 S405 R408 N409 | V331-E335 PolarHBondContact O-N 3.45Å; V332-E335 PolarHBondContact O-N 2.89Å; V333-E335 VanDerWaalsContact C-N 3.32Å; V333-E335 PolarHBondContact O-N 3.4Å; E335-L337 VanDerWaalsContact C-N 3.34Å; E335-L337 PolarHBondContact O-N 3.11Å; E335-M338 WeakPolarHBondContact O-CB 3.39Å; E335-M338 PolarHBondContact O-N 3.29Å; E335-M338 VanDerWaalsContact O-N 3.13Å; E335-R342 IonicContact OE1-NH1 3.29Å; E335-S405 WeakPolarHBondContact CB-OG 3.42Å; E335-R408 VanDerWaalsContact OE1-CD 3.3Å; E335-R408 WeakPolarHBondContact OE1-CD 3.5Å; E335-R408 IonicContact OE1-CZ 2.8Å; E335-R408 IonicContact OE1-NH1 2.74Å; E335-R408 PolarHBondContact OE1-NH1 2.74Å; E335-N409 PolarHBondContact OE2-ND2 3.24Å |
| 336 | A | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V332 V333 M338 M339 P340 V397 M402 | V332-A336 PolarHBondContact O-N 2.94Å; V333-A336 WeakPolarHBondContact O-CB 3.46Å; V333-A336 PolarHBondContact O-N 3.28Å; V333-A336 VanDerWaalsContact O-N 3.08Å; A336-M338 PolarHBondContact O-N 2.75Å; A336-M339 VanDerWaalsContact O-CB 3.3Å; A336-M339 WeakPolarHBondContact O-CB 3.47Å; A336-M339 PolarHBondContact O-N 3.05Å; A336-P340 WeakPolarHBondContact O-CD 3.32Å; A336-V397 HydrophobicContact CB-CG1 4.33Å; A336-M402 HydrophobicContact CB-CG 4.32Å; A336-M402 HydrophobicContact CB-SD 3.3Å; A336-M402 WeakPolarHBondContact CB-SD 3.3Å |
| 337 | L | 96.1 | Very high | 95.6 | Very high | 45 Ų | 45 | 47.6 Ų | 47.6 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -25.1 | 174.2 | -69.8 | -177.5 | 0 | 0 | 0 | 113.1 | L302 I305 V333 E335 V397 | L302-L337 HydrophobicContact CD1-CD2 3.79Å; I305-L337 HydrophobicContact CB-CD2 4.32Å; I305-L337 HydrophobicContact CD1-CD1 3.59Å; I305-L337 HydrophobicContact CD1-CD2 3.46Å; I305-L337 VanDerWaalsContact CD1-CD2 3.46Å; I305-L337 HydrophobicContact CD1-CG 4.14Å; I305-L337 HydrophobicContact CG1-CD2 4.47Å; I305-L337 HydrophobicContact CG2-CD2 3.95Å; V333-L337 HydrophobicContact CG1-CD1 4.19Å; V333-L337 HydrophobicContact CG1-CG 4.16Å; V333-L337 VanDerWaalsContact O-CG 3.31Å; V333-L337 WeakPolarHBondContact O-CG 3.26Å; V333-L337 PolarHBondContact O-N 2.94Å; E335-L337 VanDerWaalsContact C-N 3.34Å; E335-L337 PolarHBondContact O-N 3.11Å; L337-V397 HydrophobicContact CD2-CG2 3.97Å |
| 338 | M | 95.3 | Very high | 95.5 | Very high | 85 Ų | 85 | 49.1 Ų | 49.1 | 42% | 0.419 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -10.5 | 176.2 | -68 | -56.7 | -57.8 | 0 | 0 | 113.3 | R334 E335 A336 V341 R342 | R334-M338 PolarHBondContact O-N 3.03Å; E335-M338 WeakPolarHBondContact O-CB 3.39Å; E335-M338 PolarHBondContact O-N 3.29Å; E335-M338 VanDerWaalsContact O-N 3.13Å; A336-M338 PolarHBondContact O-N 2.75Å; M338-V341 HydrophobicContact CE-CB 4.08Å; M338-V341 HydrophobicContact CE-CG1 4.11Å; M338-V341 HydrophobicContact CE-CG2 4.29Å; M338-V341 PolarHBondContact O-N 3.2Å; M338-R342 VanDerWaalsContact O-CG 3.31Å; M338-R342 WeakPolarHBondContact O-CG 3.41Å; M338-R342 PolarHBondContact O-N 3.44Å |
| 339 | M | 94.8 | Very high | 95.5 | Very high | 29 Ų | 29 | 50 Ų | 50 | 14% | 0.143 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | -178.2 | -66 | -59.9 | -64.2 | 0 | 0 | 113.2 | A336 V341 R342 K343 D401 | A336-M339 VanDerWaalsContact O-CB 3.3Å; A336-M339 WeakPolarHBondContact O-CB 3.47Å; A336-M339 PolarHBondContact O-N 3.05Å; M339-V341 VanDerWaalsContact C-N 3.3Å; M339-V341 PolarHBondContact O-N 3.5Å; M339-R342 PolarHBondContact O-N 3.24Å; M339-R342 PolarHBondContact SD-NH1 3.36Å; M339-R342 VanDerWaalsContact SD-NH1 3.36Å; M339-K343 WeakPolarHBondContact O-CG 3.47Å; M339-K343 PolarHBondContact O-N 3.46Å; M339-D401 HydrophobicContact CB-CB 3.83Å; M339-D401 VanDerWaalsContact CB-OD1 3.29Å; M339-D401 WeakPolarHBondContact CB-OD1 3.34Å; M339-D401 HydrophobicContact CG-CB 3.85Å |
| 340 | P | 94.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.8 | -42.7 | 171.4 | -30.5 | 38.1 | 0 | 0 | 0 | 113.9 | A336 K343 V344 E394 P395 V397 | A336-P340 WeakPolarHBondContact O-CD 3.32Å; P340-K343 WeakPolarHBondContact O-CB 3.43Å; P340-K343 PolarHBondContact O-N 3.28Å; P340-V344 WeakPolarHBondContact O-CG2 3.17Å; P340-V344 PolarHBondContact O-N 3.13Å; P340-E394 HydrophobicContact CB-CB 4.23Å; P340-P395 HydrophobicContact CB-CG 3.91Å; P340-P395 VanDerWaalsContact CB-O 3.28Å; P340-P395 WeakPolarHBondContact CB-O 3.36Å; P340-P395 VanDerWaalsContact CG-O 3.29Å; P340-P395 WeakPolarHBondContact CG-O 3.41Å; P340-V397 HydrophobicContact CG-CG2 3.68Å |
| 341 | V | 94.3 | Very high | 95.3 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 38% | 0.382 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 178.4 | -178 | 0 | 0 | 0 | 0 | 110.8 | M338 M339 K343 V344 Q345 | M338-V341 HydrophobicContact CE-CB 4.08Å; M338-V341 HydrophobicContact CE-CG1 4.11Å; M338-V341 HydrophobicContact CE-CG2 4.29Å; M338-V341 PolarHBondContact O-N 3.2Å; M339-V341 VanDerWaalsContact C-N 3.3Å; M339-V341 PolarHBondContact O-N 3.5Å; V341-K343 VanDerWaalsContact C-N 3.31Å; V341-K343 PolarHBondContact O-N 3.46Å; V341-V344 PolarHBondContact O-N 2.94Å; V341-Q345 WeakPolarHBondContact O-CG 3.43Å; V341-Q345 PolarHBondContact O-N 3.31Å |
| 342 | R | 94.5 | Very high | 95.2 | Very high | 99 Ų | 99 | 54.3 Ų | 54.3 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 175.9 | -69.8 | 167.5 | -179.6 | 165.6 | -2.5 | 111.9 | E335 M338 M339 Q345 T346 | E335-R342 IonicContact OE1-NH1 3.29Å; M338-R342 VanDerWaalsContact O-CG 3.31Å; M338-R342 WeakPolarHBondContact O-CG 3.41Å; M338-R342 PolarHBondContact O-N 3.44Å; M339-R342 PolarHBondContact O-N 3.24Å; M339-R342 PolarHBondContact SD-NH1 3.36Å; M339-R342 VanDerWaalsContact SD-NH1 3.36Å; R342-Q345 PolarHBondContact O-N 2.95Å; R342-T346 WeakPolarHBondContact O-CG2 3.1Å; R342-T346 PolarHBondContact O-N 3.42Å; R342-T346 VanDerWaalsContact O-N 3.13Å; R342-T346 PolarHBondContact O-OG1 3.05Å |
| 343 | K | 93.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 22% | 0.222 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 174.4 | -74 | 168.6 | -178.9 | 167.2 | 0 | 110.6 | M339 P340 V341 Q345 T346 S347 P395 H400 D401 | M339-K343 WeakPolarHBondContact O-CG 3.47Å; M339-K343 PolarHBondContact O-N 3.46Å; P340-K343 WeakPolarHBondContact O-CB 3.43Å; P340-K343 PolarHBondContact O-N 3.28Å; V341-K343 VanDerWaalsContact C-N 3.31Å; V341-K343 PolarHBondContact O-N 3.46Å; K343-Q345 VanDerWaalsContact C-N 3.33Å; K343-Q345 PolarHBondContact O-N 2.96Å; K343-T346 PolarHBondContact O-N 3.27Å; K343-T346 PolarHBondContact O-OG1 3.37Å; K343-S347 WeakPolarHBondContact O-CB 3.16Å; K343-S347 PolarHBondContact O-N 3.22Å; K343-S347 PolarHBondContact O-OG 3.28Å; K343-P395 HydrophobicContact CB-CG 4.18Å; K343-P395 HydrophobicContact CD-CG 4.03Å; K343-H400 PolarHBondContact NZ-CE1 2.82Å; K343-H400 VanDerWaalsContact NZ-CE1 3.35Å; K343-H400 PolarHBondContact NZ-NE2 2.99Å; K343-D401 WeakPolarHBondContact CE-OD1 3.46Å; K343-D401 IonicContact NZ-OD1 3.68Å; K343-D401 PolarHBondContact NZ-OD1 3.29Å; K343-D401 IonicContact NZ-OD2 2.79Å; K343-D401 PolarHBondContact NZ-OD2 3.39Å |
| 344 | V | 94.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.6 | -47.5 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | P340 V341 T346 S347 F350 P371 W384 L392 | P340-V344 WeakPolarHBondContact O-CG2 3.17Å; P340-V344 PolarHBondContact O-N 3.13Å; V341-V344 PolarHBondContact O-N 2.94Å; V344-T346 VanDerWaalsContact C-N 3.3Å; V344-T346 PolarHBondContact O-N 2.91Å; V344-S347 PolarHBondContact O-N 3.5Å; V344-F350 HydrophobicContact CG1-CE1 4.49Å; V344-F350 HydrophobicContact CG1-CZ 4.39Å; V344-P371 HydrophobicContact CB-CG 4.28Å; V344-P371 HydrophobicContact CG2-CG 3.61Å; V344-W384 HydrophobicContact CG1-CB 3.83Å; V344-L392 HydrophobicContact CG1-CD1 3.91Å; V344-L392 HydrophobicContact CG1-CD2 4.06Å; V344-L392 HydrophobicContact CG2-CD1 4.17Å |
| 345 | Q | 93.7 | Very high | 94.6 | Very high | 115 Ų | 115 | 52.5 Ų | 52.5 | 54% | 0.537 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.3 | -30.1 | -177.8 | -73 | -179.5 | -19.5 | 0 | 0 | 114.4 | V341 R342 K343 | V341-Q345 WeakPolarHBondContact O-CG 3.43Å; V341-Q345 PolarHBondContact O-N 3.31Å; R342-Q345 PolarHBondContact O-N 2.95Å; K343-Q345 VanDerWaalsContact C-N 3.33Å; K343-Q345 PolarHBondContact O-N 2.96Å |
| 346 | T | 93.9 | Very high | 94.4 | Very high | 113 Ų | 113 | 52.5 Ų | 52.5 | 69% | 0.693 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -98.9 | -4.4 | -176.8 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | R342 K343 V344 | R342-T346 WeakPolarHBondContact O-CG2 3.1Å; R342-T346 PolarHBondContact O-N 3.42Å; R342-T346 VanDerWaalsContact O-N 3.13Å; R342-T346 PolarHBondContact O-OG1 3.05Å; K343-T346 PolarHBondContact O-N 3.27Å; K343-T346 PolarHBondContact O-OG1 3.37Å; V344-T346 VanDerWaalsContact C-N 3.3Å; V344-T346 PolarHBondContact O-N 2.91Å |
| 347 | S | 93.5 | Very high | 94 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | trans | -78.3 | 135.9 | -178.1 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | K343 V344 P371 | K343-S347 WeakPolarHBondContact O-CB 3.16Å; K343-S347 PolarHBondContact O-N 3.22Å; K343-S347 PolarHBondContact O-OG 3.28Å; V344-S347 PolarHBondContact O-N 3.5Å; S347-P371 WeakPolarHBondContact OG-CB 3.45Å | ||
| 348 | T | 94.6 | Very high | 93.5 | Very high | 78 Ų | 78 | 54.2 Ų | 54.2 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -100.9 | -14.2 | 174.9 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | E381 M382 | T348-E381 CarbonylContact O-C 3.56Å; T348-E381 WeakPolarHBondContact O-CA 3.43Å; T348-M382 CarbonylContact C-O 3.5Å; T348-M382 PolarHBondContact O-N 3.28Å; T348-M382 VanDerWaalsContact O-O 3.06Å |
| 349 | H | 96.5 | Very high | 93.1 | Very high | 30 Ų | 30 | 55.3 Ų | 55.3 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 141.3 | -177 | -64.8 | 68.1 | 0 | 0 | 0 | 110.7 | C372 A379 I380 | H349-C372 PolarHBondContact O-N 3.43Å; H349-A379 HydrophobicContact CB-CB 4.28Å; H349-I380 VanDerWaalsContact CA-O 3.3Å; H349-I380 WeakPolarHBondContact CA-O 3.41Å |
| 350 | F | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 154 | 176.6 | -69.7 | -103.7 | 0 | 0 | 0 | 109.7 | V344 L369 M370 P371 I380 M382 W384 V387 L392 | V344-F350 HydrophobicContact CG1-CE1 4.49Å; V344-F350 HydrophobicContact CG1-CZ 4.39Å; F350-L369 HydrophobicContact CB-CB 4.25Å; F350-L369 HydrophobicContact CB-CD2 4.06Å; F350-L369 HydrophobicContact CD1-CB 4.25Å; F350-M370 CarbonylContact C-O 3.56Å; F350-M370 VanDerWaalsContact CA-O 3.3Å; F350-M370 WeakPolarHBondContact CA-O 3.2Å; F350-P371 HydrophobicContact CD1-CG 4.22Å; F350-P371 HydrophobicContact CE1-CG 3.72Å; F350-P371 HydrophobicContact CZ-CG 4.33Å; F350-I380 PolarHBondContact N-O 3.48Å; F350-I380 PolarHBondContact O-N 2.98Å; F350-M382 HydrophobicContact CB-CG 4.06Å; F350-M382 HydrophobicContact CB-SD 4.17Å; F350-M382 HydrophobicContact CD2-CG 3.42Å; F350-M382 VanDerWaalsContact CD2-CG 3.42Å; F350-M382 WeakPolarHBondContact CD2-O 3.32Å; F350-M382 HydrophobicContact CD2-SD 4.28Å; F350-M382 HydrophobicContact CE2-CG 4.2Å; F350-M382 WeakPolarHBondContact CE2-O 3.29Å; F350-M382 HydrophobicContact CG-CG 4.02Å; F350-M382 HydrophobicContact CG-SD 4.36Å; F350-W384 HydrophobicContact CZ-CB 3.97Å; F350-V387 HydrophobicContact CD1-CG2 4.04Å; F350-V387 HydrophobicContact CD2-CG2 4.34Å; F350-V387 HydrophobicContact CE1-CG2 3.94Å; F350-V387 HydrophobicContact CE2-CG2 4.24Å; F350-V387 HydrophobicContact CG-CG2 4.25Å; F350-V387 HydrophobicContact CZ-CG2 4.05Å; F350-L392 HydrophobicContact CE1-CD1 3.97Å |
| 351 | K | 95.5 | Very high | 92.4 | Very high | 55 Ų | 55 | 60.7 Ų | 60.7 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.4 | 174.3 | 68.2 | -174.4 | 172.6 | -168.4 | 0 | 111.2 | V353 L369 M370 C372 D376 | K351-V353 HydrophobicContact CG-CG1 4.01Å; K351-L369 WeakPolarHBondContact O-CA 3.45Å; K351-M370 PolarHBondContact N-O 3.37Å; K351-M370 PolarHBondContact O-N 3.05Å; K351-C372 HydrophobicContact CB-CB 4.14Å; K351-C372 HydrophobicContact CD-CB 3.62Å; K351-C372 HydrophobicContact CG-CB 3.78Å; K351-D376 IonicContact NZ-OD2 2.78Å; K351-D376 PolarHBondContact NZ-OD2 3.31Å |
| 352 | Y | 95.4 | Very high | 92.2 | Very high | 137 Ų | 137 | 62.4 Ų | 62.4 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 131.3 | 172.3 | -71.1 | -68.4 | 0 | 0 | 0 | 110.9 | D367 L368 L369 I380 | Y352-D367 HydrophobicContact CD1-CB 4.46Å; Y352-L368 CarbonylContact C-O 3.57Å; Y352-L368 WeakPolarHBondContact CA-O 3.41Å; Y352-L369 HydrophobicContact CD1-CD2 3.85Å; Y352-L369 HydrophobicContact CD1-CG 4.21Å; Y352-L369 HydrophobicContact CE1-CD2 3.73Å; Y352-L369 HydrophobicContact CE1-CG 3.97Å; Y352-L369 HydrophobicContact CE2-CD2 4.47Å; Y352-L369 HydrophobicContact CG-CD2 4.29Å; Y352-I380 HydrophobicContact CD2-CD1 3.77Å; Y352-I380 HydrophobicContact CE2-CD1 3.35Å |
| 353 | V | 94.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 63.7 Ų | 63.7 | 17% | 0.17 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.9 | 176.8 | -60 | 0 | 0 | 0 | 0 | 110.9 | K351 N366 L368 M370 R393 | K351-V353 HydrophobicContact CG-CG1 4.01Å; V353-N366 CarbonylContact O-C 3.56Å; V353-L368 HydrophobicContact CG2-CB 3.91Å; V353-L368 PolarHBondContact N-O 2.96Å; V353-L368 WeakPolarHBondContact O-CB 3.41Å; V353-L368 PolarHBondContact O-N 3.28Å; V353-M370 HydrophobicContact CG1-CB 4.04Å; V353-M370 HydrophobicContact CG1-CE 4.06Å; V353-M370 HydrophobicContact CG2-CB 3.83Å; V353-R393 HydrophobicContact CG2-CB 4.12Å; V353-R393 HydrophobicContact CG2-CG 4.12Å |
| 354 | T | 93.7 | Very high | 92 | Very high | 90 Ų | 90 | 66.6 Ų | 66.6 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 134.5 | 170.1 | -61.9 | 0 | 0 | 0 | 0 | 110.2 | I364 V365 N366 | T354-I364 HydrophobicContact CG2-CG2 3.32Å; T354-V365 VanDerWaalsContact CA-O 3.3Å; T354-V365 WeakPolarHBondContact CA-O 3.26Å; T354-N366 WeakPolarHBondContact CB-OD1 3.39Å; T354-N366 WeakPolarHBondContact CG2-OD1 3.13Å; T354-N366 PolarHBondContact OG1-OD1 3.23Å |
| 355 | G | 90.9 | Very high | 92 | Very high | 7 Ų | 7 | 67.7 Ų | 67.7 | 7% | 0.072 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 175.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | I364 V365 | G355-I364 WeakPolarHBondContact O-CA 3.29Å; G355-V365 PolarHBondContact N-O 3.45Å; G355-V365 PolarHBondContact O-N 2.9Å |
| 356 | P | 90.1 | Very high | 91.9 | Very high | 37 Ų | 37 | 67.5 Ų | 67.5 | 24% | 0.24 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 137.4 | 173.9 | 27.1 | -32.9 | 0 | 0 | 0 | 110.5 | K363 I364 | P356-K363 CarbonylContact C-O 3.43Å; P356-K363 WeakPolarHBondContact CA-O 3.3Å; P356-I364 HydrophobicContact CB-CD1 4.27Å |
| 357 | S | 88.7 | Confident | 91.9 | Very high | 14 Ų | 14 | 65.2 Ų | 65.2 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 133 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | T359 D360 K363 | S357-T359 PolarHBondContact O-N 2.8Å; S357-T359 VanDerWaalsContact O-N 3.15Å; S357-T359 PolarHBondContact OG-N 3.18Å; S357-T359 PolarHBondContact OG-OG1 3.44Å; S357-D360 WeakPolarHBondContact CB-O 3.48Å; S357-D360 CarbonylContact O-C 3.52Å; S357-D360 VanDerWaalsContact O-C 3.25Å; S357-D360 PolarHBondContact O-N 3.27Å; S357-K363 PolarHBondContact N-O 3.26Å |
| 358 | P | 85.4 | Confident | 92 | Very high | 66 Ų | 66 | 64 Ų | 64 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.8 | 173.6 | -26.4 | 34.9 | 0 | 0 | 0 | 113.7 | L368 D390 | P358-L368 HydrophobicContact CG-CD2 4.28Å; P358-D390 WeakPolarHBondContact CD-O 3.49Å; P358-D390 WeakPolarHBondContact CG-O 3.47Å |
| 359 | T | 86.7 | Confident | 92 | Very high | 109 Ų | 109 | 60.7 Ų | 60.7 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -23.9 | -179.4 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | S357 D390 | S357-T359 PolarHBondContact O-N 2.8Å; S357-T359 VanDerWaalsContact O-N 3.15Å; S357-T359 PolarHBondContact OG-N 3.18Å; S357-T359 PolarHBondContact OG-OG1 3.44Å; T359-D390 HydrophobicContact CG2-CB 4.26Å |
| 360 | D | 88.5 | Confident | 91.9 | Very high | 44 Ų | 44 | 61 Ų | 61 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 89.5 | -176.2 | -175.7 | -5.9 | 0 | 0 | 0 | 109 | S357 S362 K363 | S357-D360 WeakPolarHBondContact CB-O 3.48Å; S357-D360 CarbonylContact O-C 3.52Å; S357-D360 VanDerWaalsContact O-C 3.25Å; S357-D360 PolarHBondContact O-N 3.27Å; D360-S362 PolarHBondContact O-N 2.98Å; D360-S362 WeakPolarHBondContact OD1-CB 3.29Å; D360-S362 PolarHBondContact OD1-N 3.37Å; D360-S362 PolarHBondContact OD1-OG 3.27Å; D360-K363 HydrophobicContact CB-CD 4.39Å; D360-K363 PolarHBondContact O-N 2.89Å; D360-K363 VanDerWaalsContact OD2-CD 3.26Å; D360-K363 WeakPolarHBondContact OD2-CD 3.36Å; D360-K363 WeakPolarHBondContact OD2-CE 3.43Å; D360-K363 IonicContact OD2-NZ 2.68Å; D360-K363 PolarHBondContact OD2-NZ 3.3Å |
| 361 | P | 86.1 | Confident | 91.9 | Very high | 103 Ų | 103 | 61.8 Ų | 61.8 | 67% | 0.669 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.9 | -15.2 | -176.2 | -26.6 | 35.1 | 0 | 0 | 0 | 114.6 | K363 | P361-K363 VanDerWaalsContact C-N 3.31Å |
| 362 | S | 91 | Very high | 91.8 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 69% | 0.692 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -17.9 | 176.4 | 76.6 | 0 | 0 | 0 | 0 | 113.5 | D360 | D360-S362 PolarHBondContact O-N 2.98Å; D360-S362 WeakPolarHBondContact OD1-CB 3.29Å; D360-S362 PolarHBondContact OD1-N 3.37Å; D360-S362 PolarHBondContact OD1-OG 3.27Å |
| 363 | K | 91.6 | Very high | 91.7 | Very high | 127 Ų | 127 | 57 Ų | 57 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.5 | -179.5 | -69.5 | 178.2 | -174 | 140 | 0 | 111 | P356 S357 D360 P361 | P356-K363 CarbonylContact C-O 3.43Å; P356-K363 WeakPolarHBondContact CA-O 3.3Å; S357-K363 PolarHBondContact N-O 3.26Å; D360-K363 HydrophobicContact CB-CD 4.39Å; D360-K363 PolarHBondContact O-N 2.89Å; D360-K363 VanDerWaalsContact OD2-CD 3.26Å; D360-K363 WeakPolarHBondContact OD2-CD 3.36Å; D360-K363 WeakPolarHBondContact OD2-CE 3.43Å; D360-K363 IonicContact OD2-NZ 2.68Å; D360-K363 PolarHBondContact OD2-NZ 3.3Å; P361-K363 VanDerWaalsContact C-N 3.31Å |
| 364 | I | 92.4 | Very high | 91.6 | Very high | 112 Ų | 112 | 59.7 Ų | 59.7 | 57% | 0.574 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.4 | 170.7 | -58 | -58.1 | 0 | 0 | 0 | 109 | T354 G355 P356 | T354-I364 HydrophobicContact CG2-CG2 3.32Å; G355-I364 WeakPolarHBondContact O-CA 3.29Å; P356-I364 HydrophobicContact CB-CD1 4.27Å |
| 365 | V | 92.8 | Very high | 91.6 | Very high | 32 Ų | 32 | 59.1 Ų | 59.1 | 19% | 0.194 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.8 | 177.1 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | T354 G355 L368 | T354-V365 VanDerWaalsContact CA-O 3.3Å; T354-V365 WeakPolarHBondContact CA-O 3.26Å; G355-V365 PolarHBondContact N-O 3.45Å; G355-V365 PolarHBondContact O-N 2.9Å; V365-L368 HydrophobicContact CG2-CD1 4.09Å; V365-L368 HydrophobicContact CG2-CD2 3.51Å; V365-L368 HydrophobicContact CG2-CG 3.67Å |
| 366 | N | 92.4 | Very high | 91.6 | Very high | 112 Ų | 112 | 61.4 Ų | 61.4 | 60% | 0.599 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 4.3 | -171.6 | -65.1 | -34 | 0 | 0 | 0 | 113.6 | V353 T354 | V353-N366 CarbonylContact O-C 3.56Å; T354-N366 WeakPolarHBondContact CB-OD1 3.39Å; T354-N366 WeakPolarHBondContact CG2-OD1 3.13Å; T354-N366 PolarHBondContact OG1-OD1 3.23Å |
| 367 | D | 93.3 | Very high | 91.7 | Very high | 65 Ų | 65 | 68.8 Ų | 68.8 | 35% | 0.348 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 23.6 | -170.3 | 66.3 | -23.5 | 0 | 0 | 0 | 112.9 | Y352 K391 | Y352-D367 HydrophobicContact CD1-CB 4.46Å; D367-K391 VanDerWaalsContact CG-NZ 3.28Å; D367-K391 IonicContact OD1-NZ 3.21Å; D367-K391 PolarHBondContact OD1-NZ 3.12Å; D367-K391 VanDerWaalsContact OD2-CE 3.25Å; D367-K391 WeakPolarHBondContact OD2-CE 3.42Å; D367-K391 IonicContact OD2-NZ 2.67Å; D367-K391 PolarHBondContact OD2-NZ 2.84Å |
| 368 | L | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 142.5 | 174.2 | -55.2 | 178.1 | 0 | 0 | 0 | 110.5 | Y352 V353 P358 V365 K391 R393 | Y352-L368 CarbonylContact C-O 3.57Å; Y352-L368 WeakPolarHBondContact CA-O 3.41Å; V353-L368 HydrophobicContact CG2-CB 3.91Å; V353-L368 PolarHBondContact N-O 2.96Å; V353-L368 WeakPolarHBondContact O-CB 3.41Å; V353-L368 PolarHBondContact O-N 3.28Å; P358-L368 HydrophobicContact CG-CD2 4.28Å; V365-L368 HydrophobicContact CG2-CD1 4.09Å; V365-L368 HydrophobicContact CG2-CD2 3.51Å; V365-L368 HydrophobicContact CG2-CG 3.67Å; L368-K391 CarbonylContact C-O 3.36Å; L368-K391 WeakPolarHBondContact CA-O 3.45Å; L368-R393 HydrophobicContact CB-CB 3.87Å; L368-R393 HydrophobicContact CD1-CB 4.13Å; L368-R393 HydrophobicContact CD1-CG 4.37Å |
| 369 | L | 95.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.3 | 176.8 | -73.1 | 163.9 | 0 | 0 | 0 | 109.4 | F350 K351 Y352 M382 V387 K391 R393 | F350-L369 HydrophobicContact CB-CB 4.25Å; F350-L369 HydrophobicContact CB-CD2 4.06Å; F350-L369 HydrophobicContact CD1-CB 4.25Å; K351-L369 WeakPolarHBondContact O-CA 3.45Å; Y352-L369 HydrophobicContact CD1-CD2 3.85Å; Y352-L369 HydrophobicContact CD1-CG 4.21Å; Y352-L369 HydrophobicContact CE1-CD2 3.73Å; Y352-L369 HydrophobicContact CE1-CG 3.97Å; Y352-L369 HydrophobicContact CE2-CD2 4.47Å; Y352-L369 HydrophobicContact CG-CD2 4.29Å; L369-M382 HydrophobicContact CD1-CE 4.22Å; L369-M382 HydrophobicContact CD1-SD 3.9Å; L369-M382 HydrophobicContact CD2-CE 4.09Å; L369-M382 HydrophobicContact CD2-SD 4.43Å; L369-V387 HydrophobicContact CB-CG1 3.97Å; L369-V387 HydrophobicContact CD1-CG1 4.04Å; L369-V387 HydrophobicContact CD1-CG2 4.37Å; L369-K391 PolarHBondContact N-O 2.98Å; L369-R393 PolarHBondContact O-N 3.17Å |
| 370 | M | 94.7 | Very high | 92.7 | Very high | 37 Ų | 37 | 66.1 Ų | 66.1 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139.4 | 175.1 | -172.1 | 175.4 | 73.6 | 0 | 0 | 110.3 | F350 K351 V353 C372 R393 | F350-M370 CarbonylContact C-O 3.56Å; F350-M370 VanDerWaalsContact CA-O 3.3Å; F350-M370 WeakPolarHBondContact CA-O 3.2Å; K351-M370 PolarHBondContact N-O 3.37Å; K351-M370 PolarHBondContact O-N 3.05Å; V353-M370 HydrophobicContact CG1-CB 4.04Å; V353-M370 HydrophobicContact CG1-CE 4.06Å; V353-M370 HydrophobicContact CG2-CB 3.83Å; M370-C372 PolarHBondContact O-N 3.42Å; M370-R393 WeakPolarHBondContact CA-O 3.48Å; M370-R393 HydrophobicContact CB-CB 4.24Å; M370-R393 WeakPolarHBondContact CG-O 3.3Å; M370-R393 HydrophobicContact SD-CG 4.49Å |
| 371 | P | 95.3 | Very high | 93 | Very high | 16 Ų | 16 | 71.4 Ų | 71.4 | 10% | 0.104 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.2 | 135.6 | 169.1 | -34.7 | 40 | 0 | 0 | 0 | 113.6 | V344 S347 F350 R393 | V344-P371 HydrophobicContact CB-CG 4.28Å; V344-P371 HydrophobicContact CG2-CG 3.61Å; S347-P371 WeakPolarHBondContact OG-CB 3.45Å; F350-P371 HydrophobicContact CD1-CG 4.22Å; F350-P371 HydrophobicContact CE1-CG 3.72Å; F350-P371 HydrophobicContact CZ-CG 4.33Å; P371-R393 WeakPolarHBondContact CD-O 3.32Å |
| 372 | C | 93.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 13% | 0.128 | 40% | 0.396 | C | S | . | . | trans | -143.8 | 167.5 | 177.6 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | H349 K351 M370 D376 | H349-C372 PolarHBondContact O-N 3.43Å; K351-C372 HydrophobicContact CB-CB 4.14Å; K351-C372 HydrophobicContact CD-CB 3.62Å; K351-C372 HydrophobicContact CG-CB 3.78Å; M370-C372 PolarHBondContact O-N 3.42Å; C372-D376 HydrophobicContact CB-CB 4.13Å; C372-D376 WeakPolarHBondContact CB-OD2 3.31Å | ||
| 373 | S | 93.6 | Very high | 93.4 | Very high | 71 Ų | 71 | 66.1 Ų | 66.1 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | trans | -69.6 | 149.8 | 172.9 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | G375 D376 | S373-G375 PolarHBondContact O-N 2.92Å; S373-G375 VanDerWaalsContact O-N 3.14Å; S373-D376 WeakPolarHBondContact O-CB 3.23Å; S373-D376 PolarHBondContact O-N 3.18Å | ||
| 374 | P | 92.8 | Very high | 93.4 | Very high | 86 Ų | 86 | 65.2 Ų | 65.2 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.4 | 176.8 | -26.1 | 34.2 | 0 | 0 | 0 | 114.6 | ||
| 375 | G | 92.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 67 Ų | 67 | 79% | 0.794 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 0.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S373 | S373-G375 PolarHBondContact O-N 2.92Å; S373-G375 VanDerWaalsContact O-N 3.14Å |
| 376 | D | 92.1 | Very high | 93.5 | Very high | 56 Ų | 56 | 73 Ų | 73 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -67.9 | 142.2 | 179.8 | -85.1 | 12.6 | 0 | 0 | 0 | 110.5 | K351 C372 S373 G378 A379 | K351-D376 IonicContact NZ-OD2 2.78Å; K351-D376 PolarHBondContact NZ-OD2 3.31Å; C372-D376 HydrophobicContact CB-CB 4.13Å; C372-D376 WeakPolarHBondContact CB-OD2 3.31Å; S373-D376 WeakPolarHBondContact O-CB 3.23Å; S373-D376 PolarHBondContact O-N 3.18Å; D376-G378 PolarHBondContact O-N 3.3Å; D376-A379 HydrophobicContact CB-CB 4.33Å; D376-A379 WeakPolarHBondContact O-CB 3.26Å; D376-A379 PolarHBondContact O-N 3.05Å |
| 377 | H | 91.8 | Very high | 93.5 | Very high | 191 Ų | 191 | 68.5 Ų | 68.5 | 88% | 0.884 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 123.5 | 173.4 | 179.6 | -74.4 | 0 | 0 | 0 | 110.4 | ||
| 378 | G | 91.5 | Very high | 93.5 | Very high | 45 Ų | 45 | 68.5 Ų | 68.5 | 46% | 0.464 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 15.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D376 I380 | D376-G378 PolarHBondContact O-N 3.3Å; G378-I380 PolarHBondContact O-N 3.46Å |
| 379 | A | 94.8 | Very high | 93.3 | Very high | 29 Ų | 29 | 74 Ų | 74 | 24% | 0.24 | 42% | 0.418 | C | S | . | . | trans | -64 | 125.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | H349 D376 | H349-A379 HydrophobicContact CB-CB 4.28Å; D376-A379 HydrophobicContact CB-CB 4.33Å; D376-A379 WeakPolarHBondContact O-CB 3.26Å; D376-A379 PolarHBondContact O-N 3.05Å | ||
| 380 | I | 94.6 | Very high | 93.2 | Very high | 60 Ų | 60 | 76.7 Ų | 76.7 | 31% | 0.308 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.5 | 177.7 | -55.7 | 166.7 | 0 | 0 | 0 | 107 | H349 F350 Y352 G378 M382 | H349-I380 VanDerWaalsContact CA-O 3.3Å; H349-I380 WeakPolarHBondContact CA-O 3.41Å; F350-I380 PolarHBondContact N-O 3.48Å; F350-I380 PolarHBondContact O-N 2.98Å; Y352-I380 HydrophobicContact CD2-CD1 3.77Å; Y352-I380 HydrophobicContact CE2-CD1 3.35Å; G378-I380 PolarHBondContact O-N 3.46Å; I380-M382 HydrophobicContact CB-CE 3.78Å; I380-M382 HydrophobicContact CD1-CE 4.34Å; I380-M382 HydrophobicContact CG2-CE 3.36Å; I380-M382 PolarHBondContact O-N 3.26Å |
| 381 | E | 95.8 | Very high | 93.1 | Very high | 154 Ų | 154 | 77.2 Ų | 77.2 | 72% | 0.72 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 113.1 | 175.9 | -168.9 | -178.8 | 178.1 | 0 | 0 | 110.1 | T348 | T348-E381 CarbonylContact O-C 3.56Å; T348-E381 WeakPolarHBondContact O-CA 3.43Å |
| 382 | M | 92.4 | Very high | 93 | Very high | 29 Ų | 29 | 79 Ų | 79 | 14% | 0.143 | 44% | 0.442 | C | S | . | . | trans | -158.8 | 150.2 | 175 | 66.8 | 177.3 | 76.9 | 0 | 0 | 111.7 | T348 F350 L369 I380 K386 V387 | T348-M382 CarbonylContact C-O 3.5Å; T348-M382 PolarHBondContact O-N 3.28Å; T348-M382 VanDerWaalsContact O-O 3.06Å; F350-M382 HydrophobicContact CB-CG 4.06Å; F350-M382 HydrophobicContact CB-SD 4.17Å; F350-M382 HydrophobicContact CD2-CG 3.42Å; F350-M382 VanDerWaalsContact CD2-CG 3.42Å; F350-M382 WeakPolarHBondContact CD2-O 3.32Å; F350-M382 HydrophobicContact CD2-SD 4.28Å; F350-M382 HydrophobicContact CE2-CG 4.2Å; F350-M382 WeakPolarHBondContact CE2-O 3.29Å; F350-M382 HydrophobicContact CG-CG 4.02Å; F350-M382 HydrophobicContact CG-SD 4.36Å; L369-M382 HydrophobicContact CD1-CE 4.22Å; L369-M382 HydrophobicContact CD1-SD 3.9Å; L369-M382 HydrophobicContact CD2-CE 4.09Å; L369-M382 HydrophobicContact CD2-SD 4.43Å; I380-M382 HydrophobicContact CB-CE 3.78Å; I380-M382 HydrophobicContact CD1-CE 4.34Å; I380-M382 HydrophobicContact CG2-CE 3.36Å; I380-M382 PolarHBondContact O-N 3.26Å; M382-K386 HydrophobicContact CB-CD 4.36Å; M382-V387 HydrophobicContact CG-CG2 4.49Å; M382-V387 HydrophobicContact SD-CG2 3.84Å | ||
| 383 | D | 91.9 | Very high | 93 | Very high | 63 Ų | 63 | 80 Ų | 80 | 34% | 0.337 | 44% | 0.443 | S | S | . | . | trans | -80.6 | 147.2 | 169.8 | -176.6 | 7.3 | 0 | 0 | 0 | 109.5 | K385 K386 | D383-K385 PolarHBondContact O-N 2.86Å; D383-K386 WeakPolarHBondContact O-CB 3.28Å; D383-K386 PolarHBondContact O-N 3.16Å | ||
| 384 | W | 92.2 | Very high | 92.9 | Very high | 107 Ų | 107 | 80.2 Ų | 80.2 | 41% | 0.405 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -54.9 | -29.1 | 178.8 | 71 | -91.7 | 0 | 0 | 0 | 112.5 | V344 F350 K386 V387 | V344-W384 HydrophobicContact CG1-CB 3.83Å; F350-W384 HydrophobicContact CZ-CB 3.97Å; W384-K386 PolarHBondContact O-N 3.04Å; W384-V387 WeakPolarHBondContact O-CB 3.41Å; W384-V387 PolarHBondContact O-N 3.02Å |
| 385 | K | 94.1 | Very high | 92.9 | Very high | 151 Ų | 151 | 77 Ų | 77 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -61.7 | -21.8 | 175.3 | -63.2 | 179.8 | -173.4 | 168.7 | 0 | 113.7 | D383 | D383-K385 PolarHBondContact O-N 2.86Š|
| 386 | K | 93.7 | Very high | 93 | Very high | 158 Ų | 158 | 75 Ų | 75 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -88.5 | -10.8 | 176.6 | -60.3 | -177.8 | -179.1 | 176.5 | 0 | 112.5 | M382 D383 W384 P388 | M382-K386 HydrophobicContact CB-CD 4.36Å; D383-K386 WeakPolarHBondContact O-CB 3.28Å; D383-K386 PolarHBondContact O-N 3.16Å; W384-K386 PolarHBondContact O-N 3.04Å; K386-P388 WeakPolarHBondContact O-CD 3.36Å |
| 387 | V | 92.9 | Very high | 93.2 | Very high | 17 Ų | 17 | 72.4 Ų | 72.4 | 10% | 0.103 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -80.6 | 122 | 179.8 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | F350 L369 M382 W384 L392 | F350-V387 HydrophobicContact CD1-CG2 4.04Å; F350-V387 HydrophobicContact CD2-CG2 4.34Å; F350-V387 HydrophobicContact CE1-CG2 3.94Å; F350-V387 HydrophobicContact CE2-CG2 4.24Å; F350-V387 HydrophobicContact CG-CG2 4.25Å; F350-V387 HydrophobicContact CZ-CG2 4.05Å; L369-V387 HydrophobicContact CB-CG1 3.97Å; L369-V387 HydrophobicContact CD1-CG1 4.04Å; L369-V387 HydrophobicContact CD1-CG2 4.37Å; M382-V387 HydrophobicContact CG-CG2 4.49Å; M382-V387 HydrophobicContact SD-CG2 3.84Å; W384-V387 WeakPolarHBondContact O-CB 3.41Å; W384-V387 PolarHBondContact O-N 3.02Å; V387-L392 HydrophobicContact CG1-CB 3.87Å; V387-L392 HydrophobicContact CG1-CD1 4.06Å |
| 388 | P | 92.7 | Very high | 93.3 | Very high | 64 Ų | 64 | 64 Ų | 64 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | trans | -59.5 | 143.5 | 174.2 | -21.9 | 32.8 | 0 | 0 | 0 | 111.5 | K386 D390 K391 L392 | K386-P388 WeakPolarHBondContact O-CD 3.36Å; P388-D390 WeakPolarHBondContact CB-OD1 3.25Å; P388-D390 PolarHBondContact O-N 3.43Å; P388-K391 HydrophobicContact CB-CB 4.13Å; P388-K391 HydrophobicContact CB-CG 3.85Å; P388-K391 HydrophobicContact CG-CB 4.36Å; P388-K391 HydrophobicContact CG-CG 4.09Å; P388-K391 PolarHBondContact O-N 3.44Å; P388-L392 PolarHBondContact O-N 3.05Å | ||
| 389 | S | 91.1 | Very high | 93.6 | Very high | 115 Ų | 115 | 63.4 Ų | 63.4 | 80% | 0.804 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -28.3 | -174 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | K391 | S389-K391 VanDerWaalsContact C-N 3.34Š|
| 390 | D | 91.9 | Very high | 93.6 | Very high | 65 Ų | 65 | 67.2 Ų | 67.2 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -3.5 | 176.8 | 67.4 | -48.1 | 0 | 0 | 0 | 113.5 | P358 T359 P388 | P358-D390 WeakPolarHBondContact CD-O 3.49Å; P358-D390 WeakPolarHBondContact CG-O 3.47Å; T359-D390 HydrophobicContact CG2-CB 4.26Å; P388-D390 WeakPolarHBondContact CB-OD1 3.25Å; P388-D390 PolarHBondContact O-N 3.43Å |
| 391 | K | 93.4 | Very high | 93.7 | Very high | 48 Ų | 48 | 64.4 Ų | 64.4 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -12.9 | -178.7 | -57.5 | -60.7 | 174.2 | -175.3 | 0 | 113.5 | D367 L368 L369 P388 S389 R393 | D367-K391 VanDerWaalsContact CG-NZ 3.28Å; D367-K391 IonicContact OD1-NZ 3.21Å; D367-K391 PolarHBondContact OD1-NZ 3.12Å; D367-K391 VanDerWaalsContact OD2-CE 3.25Å; D367-K391 WeakPolarHBondContact OD2-CE 3.42Å; D367-K391 IonicContact OD2-NZ 2.67Å; D367-K391 PolarHBondContact OD2-NZ 2.84Å; L368-K391 CarbonylContact C-O 3.36Å; L368-K391 WeakPolarHBondContact CA-O 3.45Å; L369-K391 PolarHBondContact N-O 2.98Å; P388-K391 HydrophobicContact CB-CB 4.13Å; P388-K391 HydrophobicContact CB-CG 3.85Å; P388-K391 HydrophobicContact CG-CB 4.36Å; P388-K391 HydrophobicContact CG-CG 4.09Å; P388-K391 PolarHBondContact O-N 3.44Å; S389-K391 VanDerWaalsContact C-N 3.34Å; K391-R393 PolarHBondContact O-N 3.13Å |
| 392 | L | 93.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 57.1 Ų | 57.1 | 29% | 0.288 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -67.9 | 128.6 | 178.2 | -178.9 | 66.1 | 0 | 0 | 0 | 110.8 | V344 F350 V387 P388 | V344-L392 HydrophobicContact CG1-CD1 3.91Å; V344-L392 HydrophobicContact CG1-CD2 4.06Å; V344-L392 HydrophobicContact CG2-CD1 4.17Å; F350-L392 HydrophobicContact CE1-CD1 3.97Å; V387-L392 HydrophobicContact CG1-CB 3.87Å; V387-L392 HydrophobicContact CG1-CD1 4.06Å; P388-L392 PolarHBondContact O-N 3.05Å |
| 393 | R | 92.9 | Very high | 94 | Very high | 39 Ų | 39 | 57.5 Ų | 57.5 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | trans | -115.1 | 118.3 | 165.6 | -178.8 | 64.7 | 172.7 | 178.9 | 4 | 109.2 | V353 L368 L369 M370 P371 K391 | V353-R393 HydrophobicContact CG2-CB 4.12Å; V353-R393 HydrophobicContact CG2-CG 4.12Å; L368-R393 HydrophobicContact CB-CB 3.87Å; L368-R393 HydrophobicContact CD1-CB 4.13Å; L368-R393 HydrophobicContact CD1-CG 4.37Å; L369-R393 PolarHBondContact O-N 3.17Å; M370-R393 WeakPolarHBondContact CA-O 3.48Å; M370-R393 HydrophobicContact CB-CB 4.24Å; M370-R393 WeakPolarHBondContact CG-O 3.3Å; M370-R393 HydrophobicContact SD-CG 4.49Å; P371-R393 WeakPolarHBondContact CD-O 3.32Å; K391-R393 PolarHBondContact O-N 3.13Å | ||
| 394 | E | 91.7 | Very high | 94.2 | Very high | 76 Ų | 76 | 56 Ų | 56 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 143.6 | 173.9 | 73.8 | -73.1 | -179.2 | 0 | 0 | 111.2 | P340 | P340-E394 HydrophobicContact CB-CB 4.23Š|
| 395 | P | 93.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 51 Ų | 51 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 150.3 | 172.1 | 28.9 | -33.9 | 0 | 0 | 0 | 110.1 | P340 K343 | P340-P395 HydrophobicContact CB-CG 3.91Å; P340-P395 VanDerWaalsContact CB-O 3.28Å; P340-P395 WeakPolarHBondContact CB-O 3.36Å; P340-P395 VanDerWaalsContact CG-O 3.29Å; P340-P395 WeakPolarHBondContact CG-O 3.41Å; K343-P395 HydrophobicContact CB-CG 4.18Å; K343-P395 HydrophobicContact CD-CG 4.03Å |
| 396 | P | 94.3 | Very high | 94.4 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 148.5 | 176.9 | 27.1 | -32.9 | 0 | 0 | 0 | 110.8 | F306 A398 | F306-P396 HydrophobicContact CD1-CB 3.76Å; F306-P396 HydrophobicContact CE1-CB 3.66Å; F306-P396 HydrophobicContact CE1-CG 4.03Å; F306-P396 HydrophobicContact CG-CB 4.35Å; F306-P396 HydrophobicContact CZ-CB 4.16Å; F306-P396 HydrophobicContact CZ-CG 4.48Å; F306-P396 WeakPolarHBondContact O-CA 3.06Å; P396-A398 PolarHBondContact O-N 3.44Å |
| 397 | V | 96.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -64.8 | 122.8 | 166 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | I305 F306 H307 S308 A336 L337 P340 D401 M402 | I305-V397 HydrophobicContact CG2-CG2 4.49Å; F306-V397 PolarHBondContact O-N 3.4Å; F306-V397 VanDerWaalsContact O-N 3.12Å; H307-V397 CarbonylContact C-O 3.58Å; H307-V397 VanDerWaalsContact CA-O 3.26Å; H307-V397 WeakPolarHBondContact CA-O 3.44Å; H307-V397 HydrophobicContact CB-CB 4.15Å; H307-V397 WeakPolarHBondContact CB-O 3.38Å; S308-V397 PolarHBondContact N-O 3.4Å; A336-V397 HydrophobicContact CB-CG1 4.33Å; L337-V397 HydrophobicContact CD2-CG2 3.97Å; P340-V397 HydrophobicContact CG-CG2 3.68Å; V397-D401 HydrophobicContact CG1-CB 4.35Å; V397-M402 HydrophobicContact CG1-CG 4.49Å; V397-M402 HydrophobicContact CG1-SD 4.35Å |
| 398 | A | 95.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 12% | 0.116 | 26% | 0.26 | C | S | . | . | trans | -112.8 | 165.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S308 P396 H400 D401 M402 | S308-A398 WeakPolarHBondContact OG-CA 3.32Å; P396-A398 PolarHBondContact O-N 3.44Å; A398-H400 WeakPolarHBondContact CB-ND1 3.48Å; A398-H400 PolarHBondContact O-N 3.14Å; A398-D401 PolarHBondContact N-OD2 2.86Å; A398-D401 VanDerWaalsContact O-CB 3.29Å; A398-D401 WeakPolarHBondContact O-CB 3.49Å; A398-D401 PolarHBondContact O-N 3.41Å; A398-M402 PolarHBondContact O-N 2.91Å | ||
| 399 | M | 96.5 | Very high | 94.5 | Very high | 32 Ų | 32 | 49 Ų | 49 | 16% | 0.158 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57 | -35.8 | -179 | -175.3 | 53.5 | 171.1 | 0 | 0 | 113.2 | L309 D313 E316 L317 D401 M402 L403 | L309-M399 VanDerWaalsContact CD2-CA 3.45Å; L309-M399 HydrophobicContact CD2-CB 3.72Å; L309-M399 HydrophobicContact CD2-CG 4.46Å; L309-M399 HydrophobicContact CD2-SD 4.06Å; D313-M399 HydrophobicContact CB-CE 4.4Å; D313-M399 HydrophobicContact CB-CG 4.5Å; D313-M399 HydrophobicContact CB-SD 3.93Å; E316-M399 HydrophobicContact CB-CE 3.99Å; E316-M399 HydrophobicContact CG-CE 3.79Å; L317-M399 HydrophobicContact CD1-SD 4.24Å; L317-M399 HydrophobicContact CD2-CE 3.95Å; L317-M399 HydrophobicContact CD2-SD 3.98Å; L317-M399 HydrophobicContact CG-CE 3.94Å; L317-M399 HydrophobicContact CG-SD 3.99Å; M399-D401 VanDerWaalsContact C-N 3.28Å; M399-D401 PolarHBondContact O-N 2.84Å; M399-M402 WeakPolarHBondContact O-CB 3.4Å; M399-M402 PolarHBondContact O-N 3.09Å; M399-M402 HydrophobicContact SD-CB 4.4Å; M399-L403 HydrophobicContact CE-CD1 4.18Å; M399-L403 HydrophobicContact CE-CD2 3.84Å; M399-L403 HydrophobicContact CE-CG 3.94Å; M399-L403 HydrophobicContact CG-CD1 4.12Å; M399-L403 HydrophobicContact CG-CG 4.3Å; M399-L403 WeakPolarHBondContact O-CG 3.43Å; M399-L403 PolarHBondContact O-N 3.35Å; M399-L403 HydrophobicContact SD-CG 4.21Å |
| 400 | H | 95.8 | Very high | 94.6 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.6 | -30.4 | 176 | 72.2 | -91.6 | 0 | 0 | 0 | 113.1 | K343 A398 S404 | K343-H400 PolarHBondContact NZ-CE1 2.82Å; K343-H400 VanDerWaalsContact NZ-CE1 3.35Å; K343-H400 PolarHBondContact NZ-NE2 2.99Å; A398-H400 WeakPolarHBondContact CB-ND1 3.48Å; A398-H400 PolarHBondContact O-N 3.14Å; H400-S404 WeakPolarHBondContact O-CB 3.45Å; H400-S404 PolarHBondContact O-N 3.29Å |
| 401 | D | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.1 | -41.7 | 175.4 | -62.5 | -47.7 | 0 | 0 | 0 | 110 | M339 K343 V397 A398 M399 S405 | M339-D401 HydrophobicContact CB-CB 3.83Å; M339-D401 VanDerWaalsContact CB-OD1 3.29Å; M339-D401 WeakPolarHBondContact CB-OD1 3.34Å; M339-D401 HydrophobicContact CG-CB 3.85Å; K343-D401 WeakPolarHBondContact CE-OD1 3.46Å; K343-D401 IonicContact NZ-OD1 3.68Å; K343-D401 PolarHBondContact NZ-OD1 3.29Å; K343-D401 IonicContact NZ-OD2 2.79Å; K343-D401 PolarHBondContact NZ-OD2 3.39Å; V397-D401 HydrophobicContact CG1-CB 4.35Å; A398-D401 PolarHBondContact N-OD2 2.86Å; A398-D401 VanDerWaalsContact O-CB 3.29Å; A398-D401 WeakPolarHBondContact O-CB 3.49Å; A398-D401 PolarHBondContact O-N 3.41Å; M399-D401 VanDerWaalsContact C-N 3.28Å; M399-D401 PolarHBondContact O-N 2.84Å; D401-S405 WeakPolarHBondContact O-CB 3.39Å; D401-S405 PolarHBondContact O-N 2.76Å; D401-S405 VanDerWaalsContact O-N 3.09Å |
| 402 | M | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 175.7 | -64.5 | -63.9 | -69.2 | 0 | 0 | 112.3 | F298 L309 L317 V333 A336 V397 A398 M399 S405 L406 | F298-M402 HydrophobicContact CD1-CE 3.5Å; F298-M402 HydrophobicContact CE1-CE 3.76Å; L309-M402 HydrophobicContact CD1-CG 3.96Å; L309-M402 HydrophobicContact CD2-CG 4.33Å; L317-M402 HydrophobicContact CD1-CB 4.11Å; L317-M402 HydrophobicContact CD1-CE 3.65Å; L317-M402 HydrophobicContact CD1-CG 4.16Å; L317-M402 HydrophobicContact CD2-CB 3.75Å; V333-M402 HydrophobicContact CG2-CE 3.95Å; A336-M402 HydrophobicContact CB-CG 4.32Å; A336-M402 HydrophobicContact CB-SD 3.3Å; A336-M402 WeakPolarHBondContact CB-SD 3.3Å; V397-M402 HydrophobicContact CG1-CG 4.49Å; V397-M402 HydrophobicContact CG1-SD 4.35Å; A398-M402 PolarHBondContact O-N 2.91Å; M399-M402 WeakPolarHBondContact O-CB 3.4Å; M399-M402 PolarHBondContact O-N 3.09Å; M399-M402 HydrophobicContact SD-CB 4.4Å; M402-S405 WeakPolarHBondContact O-CB 3.39Å; M402-S405 PolarHBondContact O-N 3.3Å; M402-L406 WeakPolarHBondContact O-CB 3.3Å; M402-L406 PolarHBondContact O-N 3Å |
| 403 | L | 96.7 | Very high | 94.7 | Very high | 38 Ų | 38 | 51.6 Ų | 51.6 | 20% | 0.199 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 179.1 | -71.7 | 176.3 | 0 | 0 | 0 | 112 | L317 M399 S405 L406 E407 | L317-L403 HydrophobicContact CD2-CD2 4.45Å; M399-L403 HydrophobicContact CE-CD1 4.18Å; M399-L403 HydrophobicContact CE-CD2 3.84Å; M399-L403 HydrophobicContact CE-CG 3.94Å; M399-L403 HydrophobicContact CG-CD1 4.12Å; M399-L403 HydrophobicContact CG-CG 4.3Å; M399-L403 WeakPolarHBondContact O-CG 3.43Å; M399-L403 PolarHBondContact O-N 3.35Å; M399-L403 HydrophobicContact SD-CG 4.21Å; L403-S405 VanDerWaalsContact C-N 3.29Å; L403-S405 PolarHBondContact O-N 3.1Å; L403-L406 PolarHBondContact O-N 2.92Å; L403-L406 VanDerWaalsContact O-N 3.16Å; L403-E407 WeakPolarHBondContact O-CG 3.38Å; L403-E407 PolarHBondContact O-N 3.15Å |
| 404 | S | 95.5 | Very high | 94.6 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | H400 R408 | H400-S404 WeakPolarHBondContact O-CB 3.45Å; H400-S404 PolarHBondContact O-N 3.29Å; S404-R408 WeakPolarHBondContact O-CD 3.42Å; S404-R408 VanDerWaalsContact O-CG 3.29Å; S404-R408 WeakPolarHBondContact O-CG 3.44Å; S404-R408 PolarHBondContact O-N 2.98Å |
| 405 | S | 96.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 174.1 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | V332 E335 D401 M402 L403 E407 R408 N409 | V332-S405 VanDerWaalsContact CA-OG 3.29Å; V332-S405 WeakPolarHBondContact CA-OG 3.37Å; V332-S405 WeakPolarHBondContact O-CB 3.45Å; V332-S405 PolarHBondContact O-OG 3.48Å; E335-S405 WeakPolarHBondContact CB-OG 3.42Å; D401-S405 WeakPolarHBondContact O-CB 3.39Å; D401-S405 PolarHBondContact O-N 2.76Å; D401-S405 VanDerWaalsContact O-N 3.09Å; M402-S405 WeakPolarHBondContact O-CB 3.39Å; M402-S405 PolarHBondContact O-N 3.3Å; L403-S405 VanDerWaalsContact C-N 3.29Å; L403-S405 PolarHBondContact O-N 3.1Å; S405-E407 PolarHBondContact O-N 3.39Å; S405-R408 PolarHBondContact O-N 2.76Å; S405-N409 PolarHBondContact O-N 3.13Å; S405-N409 VanDerWaalsContact O-N 3.07Å; S405-N409 PolarHBondContact O-ND2 3.41Å; S405-N409 PolarHBondContact OG-ND2 3.06Å |
| 406 | L | 95.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 178.7 | -167.5 | 72 | 0 | 0 | 0 | 112.2 | F298 R320 Y324 V332 M402 L403 R408 N409 | F298-L406 HydrophobicContact CZ-CD1 4.49Å; R320-L406 HydrophobicContact CB-CD2 3.43Å; R320-L406 VanDerWaalsContact CB-CD2 3.43Å; Y324-L406 HydrophobicContact CD1-CD1 4.25Å; Y324-L406 HydrophobicContact CE1-CD1 3.62Å; Y324-L406 HydrophobicContact CE2-CD1 4.39Å; Y324-L406 PolarHBondContact OH-O 3.4Å; V332-L406 HydrophobicContact CG1-CB 4.32Å; V332-L406 HydrophobicContact CG1-CD1 4.2Å; V332-L406 HydrophobicContact CG2-CD1 4.07Å; M402-L406 WeakPolarHBondContact O-CB 3.3Å; M402-L406 PolarHBondContact O-N 3Å; L403-L406 PolarHBondContact O-N 2.92Å; L403-L406 VanDerWaalsContact O-N 3.16Å; L406-R408 VanDerWaalsContact C-N 3.32Å; L406-R408 PolarHBondContact O-N 3.32Å; L406-N409 VanDerWaalsContact O-O 3.09Å |
| 407 | E | 93.5 | Very high | 94.6 | Very high | 151 Ų | 151 | 59.9 Ų | 59.9 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.1 | -32.3 | 177.1 | -74.2 | 174.4 | -173.2 | 0 | 0 | 113.1 | L403 S405 | L403-E407 WeakPolarHBondContact O-CG 3.38Å; L403-E407 PolarHBondContact O-N 3.15Å; S405-E407 PolarHBondContact O-N 3.39Å |
| 408 | R | 93.8 | Very high | 94.5 | Very high | 145 Ų | 145 | 61.5 Ų | 61.5 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -79.7 | -34.6 | 179.6 | -70.7 | 171.1 | -176.7 | -173.3 | -0.3 | 113.1 | E335 S404 S405 L406 | E335-R408 VanDerWaalsContact OE1-CD 3.3Å; E335-R408 WeakPolarHBondContact OE1-CD 3.5Å; E335-R408 IonicContact OE1-CZ 2.8Å; E335-R408 IonicContact OE1-NH1 2.74Å; E335-R408 PolarHBondContact OE1-NH1 2.74Å; S404-R408 WeakPolarHBondContact O-CD 3.42Å; S404-R408 VanDerWaalsContact O-CG 3.29Å; S404-R408 WeakPolarHBondContact O-CG 3.44Å; S404-R408 PolarHBondContact O-N 2.98Å; S405-R408 PolarHBondContact O-N 2.76Å; L406-R408 VanDerWaalsContact C-N 3.32Å; L406-R408 PolarHBondContact O-N 3.32Å |
| 409 | N | 94.1 | Very high | 94.5 | Very high | 37 Ų | 37 | 63.4 Ų | 63.4 | 20% | 0.198 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -98.3 | 104.6 | -175.7 | -68.3 | -76 | 0 | 0 | 0 | 110.2 | Y324 V331 V332 E335 S405 L406 | Y324-N409 WeakPolarHBondContact CE1-O 3.44Å; Y324-N409 VanDerWaalsContact CZ-O 3.26Å; Y324-N409 PolarHBondContact OH-O 3.34Å; V331-N409 WeakPolarHBondContact CG1-OD1 3.42Å; V332-N409 HydrophobicContact CG2-CB 3.83Å; E335-N409 PolarHBondContact OE2-ND2 3.24Å; S405-N409 PolarHBondContact O-N 3.13Å; S405-N409 VanDerWaalsContact O-N 3.07Å; S405-N409 PolarHBondContact O-ND2 3.41Å; S405-N409 PolarHBondContact OG-ND2 3.06Å; L406-N409 VanDerWaalsContact O-O 3.09Å |
| 410 | K | 92.6 | Very high | 94.4 | Very high | 176 Ų | 176 | 66.2 Ų | 66.2 | 77% | 0.765 | 35% | 0.346 | S | S | * | . | trans | -76.5 | 151.6 | 174.2 | -67 | -177.3 | 179.9 | -179.9 | 0 | 111.1 | ||||
| 411 | P | 94.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 61.1 Ų | 61.1 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | trans | -62.1 | 138.6 | 176 | 25.9 | -33.5 | 0 | 0 | 0 | 110.9 | Y324 V413 | Y324-P411 HydrophobicContact CD2-CB 3.95Å; Y324-P411 HydrophobicContact CD2-CG 4.44Å; Y324-P411 HydrophobicContact CE2-CB 4.07Å; Y324-P411 HydrophobicContact CE2-CG 4.16Å; Y324-P411 HydrophobicContact CG-CB 4.41Å; P411-V413 VanDerWaalsContact C-N 3.3Å; P411-V413 PolarHBondContact O-N 3.37Å | ||
| 412 | T | 93.3 | Very high | 94.2 | Very high | 97 Ų | 97 | 69 Ų | 69 | 60% | 0.595 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -72.2 | -25.3 | -178 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | D328 | D328-T412 VanDerWaalsContact OD1-CB 3.28Å; D328-T412 WeakPolarHBondContact OD1-CB 3.41Å; D328-T412 PolarHBondContact OD1-N 2.59Å; D328-T412 PolarHBondContact OD1-OG1 2.96Å; D328-T412 PolarHBondContact OD2-N 3.26Å |
| 413 | V | 92.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 75 Ų | 75 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | trans | -102.3 | 124.4 | -173.2 | -174 | 0 | 0 | 0 | 0 | 110.3 | P163 P164 L288 P411 D417 L418 | P163-V413 HydrophobicContact CB-CB 4.4Å; P163-V413 HydrophobicContact CB-CG1 3.85Å; P163-V413 HydrophobicContact CB-CG2 3.69Å; P163-V413 HydrophobicContact CG-CG1 4.2Å; P164-V413 HydrophobicContact CG-CG2 4.14Å; L288-V413 HydrophobicContact CD1-CB 4.44Å; L288-V413 HydrophobicContact CD1-CG1 4.46Å; L288-V413 HydrophobicContact CD2-CG2 4.24Å; P411-V413 VanDerWaalsContact C-N 3.3Å; P411-V413 PolarHBondContact O-N 3.37Å; V413-D417 HydrophobicContact CG1-CB 4.15Å; V413-L418 HydrophobicContact CG1-CD2 3.93Å; V413-L418 HydrophobicContact CG1-CG 3.92Å | ||
| 414 | N | 92.4 | Very high | 94 | Very high | 76 Ų | 76 | 73.5 Ų | 73.5 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | trans | -91.6 | 170.2 | 177.1 | 68.6 | 46.2 | 0 | 0 | 0 | 112.1 | E416 D417 L418 | N414-E416 VanDerWaalsContact C-N 3.32Å; N414-E416 PolarHBondContact O-N 3.14Å; N414-E416 WeakPolarHBondContact OD1-CA 3.36Å; N414-E416 WeakPolarHBondContact OD1-CB 3.44Å; N414-E416 PolarHBondContact OD1-N 3Å; N414-D417 PolarHBondContact ND2-OD2 2.97Å; N414-D417 PolarHBondContact O-N 3.05Å; N414-D417 VanDerWaalsContact OD1-CG 3.26Å; N414-D417 PolarHBondContact OD1-N 2.79Å; N414-D417 PolarHBondContact OD1-OD2 2.91Å; N414-L418 PolarHBondContact O-N 3.38Å | ||
| 415 | A | 92.9 | Very high | 93.8 | Very high | 81 Ų | 81 | 72.9 Ų | 72.9 | 67% | 0.669 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.5 | -29.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L418 A419 | A415-L418 PolarHBondContact O-N 3.2Å; A415-A419 PolarHBondContact O-N 2.79Å |
| 416 | E | 93.6 | Very high | 93.6 | Very high | 139 Ų | 139 | 79 Ų | 79 | 65% | 0.65 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68.7 | -39.7 | 178.3 | -61.1 | -178.1 | 180 | 0 | 0 | 111.5 | N414 L418 A419 K420 | N414-E416 VanDerWaalsContact C-N 3.32Å; N414-E416 PolarHBondContact O-N 3.14Å; N414-E416 WeakPolarHBondContact OD1-CA 3.36Å; N414-E416 WeakPolarHBondContact OD1-CB 3.44Å; N414-E416 PolarHBondContact OD1-N 3Å; E416-L418 VanDerWaalsContact C-N 3.34Å; E416-A419 WeakPolarHBondContact O-CB 3.36Å; E416-A419 PolarHBondContact O-N 3.15Å; E416-K420 WeakPolarHBondContact O-CG 3.36Å; E416-K420 PolarHBondContact O-N 2.86Å |
| 417 | D | 92.6 | Very high | 93.3 | Very high | 46 Ų | 46 | 83.4 Ų | 83.4 | 25% | 0.246 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | 176.1 | -66.2 | -35 | 0 | 0 | 0 | 110.3 | V413 N414 A419 K420 H421 | V413-D417 HydrophobicContact CG1-CB 4.15Å; N414-D417 PolarHBondContact ND2-OD2 2.97Å; N414-D417 PolarHBondContact O-N 3.05Å; N414-D417 VanDerWaalsContact OD1-CG 3.26Å; N414-D417 PolarHBondContact OD1-N 2.79Å; N414-D417 PolarHBondContact OD1-OD2 2.91Å; D417-A419 VanDerWaalsContact C-N 3.32Å; D417-A419 PolarHBondContact O-N 3.36Å; D417-K420 PolarHBondContact O-N 3.27Å; D417-K420 IonicContact OD1-NZ 3.36Å; D417-H421 PolarHBondContact O-N 3.45Å; D417-H421 PolarHBondContact O-ND1 2.89Å |
| 418 | L | 93.9 | Very high | 93 | Very high | 35 Ų | 35 | 79.8 Ų | 79.8 | 18% | 0.183 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 173.7 | -65.9 | 174.3 | 0 | 0 | 0 | 112.2 | P163 L288 V413 N414 A415 E416 H421 R422 | P163-L418 HydrophobicContact CG-CD2 3.66Å; L288-L418 HydrophobicContact CD1-CD1 3.9Å; L288-L418 HydrophobicContact CD1-CD2 3.77Å; L288-L418 HydrophobicContact CD1-CG 4.36Å; L288-L418 HydrophobicContact CG-CD2 4.14Å; V413-L418 HydrophobicContact CG1-CD2 3.93Å; V413-L418 HydrophobicContact CG1-CG 3.92Å; N414-L418 PolarHBondContact O-N 3.38Å; A415-L418 PolarHBondContact O-N 3.2Å; E416-L418 VanDerWaalsContact C-N 3.34Å; L418-H421 PolarHBondContact O-N 2.96Å; L418-R422 WeakPolarHBondContact O-CG 3.45Å; L418-R422 PolarHBondContact O-N 3.18Å |
| 419 | A | 95.1 | Very high | 92 | Very high | 55 Ų | 55 | 74 Ų | 74 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A415 E416 D417 H421 R422 K423 | A415-A419 PolarHBondContact O-N 2.79Å; E416-A419 WeakPolarHBondContact O-CB 3.36Å; E416-A419 PolarHBondContact O-N 3.15Å; D417-A419 VanDerWaalsContact C-N 3.32Å; D417-A419 PolarHBondContact O-N 3.36Å; A419-H421 VanDerWaalsContact C-N 3.34Å; A419-R422 PolarHBondContact O-N 2.97Å; A419-K423 WeakPolarHBondContact O-CB 3.38Å; A419-K423 PolarHBondContact O-N 2.81Å |
| 420 | K | 95.4 | Very high | 90.6 | Very high | 91 Ų | 91 | 75.5 Ų | 75.5 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 173.9 | -69.1 | 171.8 | -171.7 | 159.8 | 0 | 112.1 | W270 E416 D417 K423 F424 | W270-K420 HydrophobicContact CD2-CB 4.39Å; W270-K420 HydrophobicContact CE3-CB 3.87Å; W270-K420 HydrophobicContact CH2-CB 3.73Å; W270-K420 HydrophobicContact CH2-CD 4.07Å; W270-K420 HydrophobicContact CZ2-CB 4.25Å; W270-K420 HydrophobicContact CZ2-CD 3.85Å; W270-K420 HydrophobicContact CZ3-CB 3.51Å; E416-K420 WeakPolarHBondContact O-CG 3.36Å; E416-K420 PolarHBondContact O-N 2.86Å; D417-K420 PolarHBondContact O-N 3.27Å; D417-K420 IonicContact OD1-NZ 3.36Å; K420-K423 PolarHBondContact O-N 2.95Å; K420-F424 PolarHBondContact O-N 2.58Å |
| 421 | H | 94.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 1% | 0.014 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 175.9 | -75.7 | 83 | 0 | 0 | 0 | 111.6 | G162 N267 W270 Y285 D417 L418 A419 K423 F424 T425 | G162-H421 VanDerWaalsContact CA-CD2 3.45Å; G162-H421 WeakPolarHBondContact CA-CD2 3.18Å; G162-H421 PolarHBondContact O-NE2 3.19Å; N267-H421 PolarHBondContact O-CE1 2.88Å; N267-H421 PolarHBondContact O-NE2 2.86Å; W270-H421 AromaticContact CH2-CE1 3.54Å; W270-H421 AromaticContact CH2-ND1 3.78Å; W270-H421 AromaticContact CZ3-CE1 3.69Å; W270-H421 AromaticContact CZ3-ND1 3.67Å; Y285-H421 HydrophobicContact CE2-CB 3.8Å; Y285-H421 AromaticContact CE2-CD2 3.98Å; D417-H421 PolarHBondContact O-N 3.45Å; D417-H421 PolarHBondContact O-ND1 2.89Å; L418-H421 PolarHBondContact O-N 2.96Å; A419-H421 VanDerWaalsContact C-N 3.34Å; H421-K423 PolarHBondContact O-N 3.06Å; H421-F424 PolarHBondContact O-N 3.01Å; H421-F424 VanDerWaalsContact O-N 3.16Å; H421-T425 PolarHBondContact O-N 2.92Å; H421-T425 PolarHBondContact O-OG1 3.42Å |
| 422 | R | 92.8 | Very high | 86 | Confident | 167 Ų | 167 | 73.4 Ų | 73.4 | 63% | 0.63 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -56.7 | -48.8 | 175.2 | -71.8 | 177.6 | -172.4 | 176.1 | 1.7 | 111.6 | L418 A419 F424 T425 D426 | L418-R422 WeakPolarHBondContact O-CG 3.45Å; L418-R422 PolarHBondContact O-N 3.18Å; A419-R422 PolarHBondContact O-N 2.97Å; R422-F424 VanDerWaalsContact C-N 3.3Å; R422-F424 PolarHBondContact O-N 3.17Å; R422-T425 CarbonylContact O-C 3.58Å; R422-T425 WeakPolarHBondContact O-CA 3.47Å; R422-T425 WeakPolarHBondContact O-CB 3.46Å; R422-T425 PolarHBondContact O-N 3.19Å; R422-D426 PolarHBondContact O-N 2.78Å |
| 423 | K | 94.5 | Very high | 83 | Confident | 126 Ų | 126 | 76.3 Ų | 76.3 | 55% | 0.548 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -55.7 | -44.7 | 175.9 | -177.5 | 178.1 | 176.2 | 179 | 0 | 112.1 | A419 K420 H421 D426 E427 | A419-K423 WeakPolarHBondContact O-CB 3.38Å; A419-K423 PolarHBondContact O-N 2.81Å; K420-K423 PolarHBondContact O-N 2.95Å; H421-K423 PolarHBondContact O-N 3.06Å; K423-D426 PolarHBondContact O-N 2.74Å; K423-E427 WeakPolarHBondContact CE-OE1 3.09Å; K423-E427 IonicContact NZ-OE1 3.88Å; K423-E427 WeakPolarHBondContact O-CB 3.3Å; K423-E427 VanDerWaalsContact O-CG 3.31Å; K423-E427 WeakPolarHBondContact O-CG 3.26Å; K423-E427 PolarHBondContact O-N 3.23Å |
| 424 | F | 93.8 | Very high | 82.6 | Confident | 5 Ų | 5 | 79.6 Ų | 79.6 | 2% | 0.022 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 175.9 | -176.5 | -84.4 | 0 | 0 | 0 | 112.1 | Y161 P269 W270 K420 H421 R422 E427 F428 G429 | Y161-F424 HydrophobicContact CD1-CE1 4.4Å; Y161-F424 AromaticContact CD2-CD1 3.96Å; Y161-F424 HydrophobicContact CD2-CD1 3.96Å; Y161-F424 HydrophobicContact CD2-CE1 4.31Å; Y161-F424 HydrophobicContact CE1-CD1 4.44Å; Y161-F424 HydrophobicContact CE1-CE1 4.22Å; Y161-F424 AromaticContact CE2-CD1 3.55Å; Y161-F424 HydrophobicContact CE2-CD1 3.55Å; Y161-F424 HydrophobicContact CE2-CE1 4.09Å; Y161-F424 HydrophobicContact CG-CE1 4.43Å; Y161-F424 AromaticContact CZ-CD1 3.81Å; P269-F424 HydrophobicContact CB-CD1 3.83Å; P269-F424 HydrophobicContact CB-CD2 3.91Å; P269-F424 HydrophobicContact CB-CE1 3.66Å; P269-F424 HydrophobicContact CB-CE2 3.73Å; P269-F424 HydrophobicContact CB-CG 3.96Å; P269-F424 HydrophobicContact CB-CZ 3.61Å; P269-F424 HydrophobicContact CG-CB 4.23Å; P269-F424 HydrophobicContact CG-CD1 3.77Å; P269-F424 HydrophobicContact CG-CD2 4.01Å; P269-F424 HydrophobicContact CG-CE1 4.14Å; P269-F424 HydrophobicContact CG-CE2 4.35Å; P269-F424 HydrophobicContact CG-CG 3.72Å; P269-F424 HydrophobicContact CG-CZ 4.42Å; P269-F424 VanDerWaalsContact O-CE2 3.3Å; P269-F424 WeakPolarHBondContact O-CE2 3.2Å; W270-F424 HydrophobicContact CB-CD2 4.35Å; K420-F424 PolarHBondContact O-N 2.58Å; H421-F424 PolarHBondContact O-N 3.01Å; H421-F424 VanDerWaalsContact O-N 3.16Å; R422-F424 VanDerWaalsContact C-N 3.3Å; R422-F424 PolarHBondContact O-N 3.17Å; F424-E427 PolarHBondContact O-N 2.98Å; F424-F428 HydrophobicContact CD1-CB 4.46Å; F424-F428 AromaticContact CD2-CD2 3.84Å; F424-F428 HydrophobicContact CD2-CD2 3.84Å; F424-F428 HydrophobicContact CE1-CB 4.04Å; F424-F428 HydrophobicContact CE2-CB 4.17Å; F424-F428 AromaticContact CE2-CD2 3.79Å; F424-F428 HydrophobicContact CE2-CD2 3.79Å; F424-F428 HydrophobicContact CE2-CG 4.3Å; F424-F428 HydrophobicContact CG-CD2 4.46Å; F424-F428 HydrophobicContact CZ-CB 3.87Å; F424-F428 HydrophobicContact CZ-CD2 4.36Å; F424-F428 HydrophobicContact CZ-CG 4.45Å; F424-F428 WeakPolarHBondContact O-CA 3.44Å; F424-F428 PolarHBondContact O-N 3.22Å; F424-G429 PolarHBondContact O-N 3.24Å |
| 425 | T | 92.5 | Very high | 82 | Confident | 20 Ų | 20 | 79.8 Ų | 79.8 | 12% | 0.123 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.5 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | Y161 H421 R422 G429 | Y161-T425 WeakPolarHBondContact OH-CA 3.21Å; Y161-T425 WeakPolarHBondContact OH-CB 3.08Å; Y161-T425 PolarHBondContact OH-OG1 2.99Å; H421-T425 PolarHBondContact O-N 2.92Å; H421-T425 PolarHBondContact O-OG1 3.42Å; R422-T425 CarbonylContact O-C 3.58Å; R422-T425 WeakPolarHBondContact O-CA 3.47Å; R422-T425 WeakPolarHBondContact O-CB 3.46Å; R422-T425 PolarHBondContact O-N 3.19Å; T425-G429 WeakPolarHBondContact O-CA 3.25Å; T425-G429 PolarHBondContact O-N 2.9Å |
| 426 | D | 91.6 | Very high | 81.4 | Confident | 130 Ų | 130 | 79.7 Ų | 79.7 | 70% | 0.695 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66 | -39.5 | 179.2 | -59.4 | -21 | 0 | 0 | 0 | 111.8 | R422 K423 | R422-D426 PolarHBondContact O-N 2.78Å; K423-D426 PolarHBondContact O-N 2.74Å |
| 427 | E | 90.1 | Very high | 80.7 | Confident | 106 Ų | 106 | 76.2 Ų | 76.2 | 50% | 0.495 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -80.7 | -35.6 | -177.7 | -71.1 | 176.6 | -178.9 | 0 | 0 | 113.4 | K423 F424 | K423-E427 WeakPolarHBondContact CE-OE1 3.09Å; K423-E427 IonicContact NZ-OE1 3.88Å; K423-E427 WeakPolarHBondContact O-CB 3.3Å; K423-E427 VanDerWaalsContact O-CG 3.31Å; K423-E427 WeakPolarHBondContact O-CG 3.26Å; K423-E427 PolarHBondContact O-N 3.23Å; F424-E427 PolarHBondContact O-N 2.98Å |
| 428 | F | 87.2 | Confident | 80 | Confident | 75 Ų | 75 | 78.1 Ų | 78.1 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -141.7 | -10.1 | -166.1 | -58.5 | -64 | 0 | 0 | 0 | 115.2 | R283 F424 | R283-F428 VanDerWaalsContact CD-O 3.24Å; R283-F428 WeakPolarHBondContact CD-O 3.41Å; R283-F428 PolarHBondContact NH1-O 2.76Å; F424-F428 HydrophobicContact CD1-CB 4.46Å; F424-F428 AromaticContact CD2-CD2 3.84Å; F424-F428 HydrophobicContact CD2-CD2 3.84Å; F424-F428 HydrophobicContact CE1-CB 4.04Å; F424-F428 HydrophobicContact CE2-CB 4.17Å; F424-F428 AromaticContact CE2-CD2 3.79Å; F424-F428 HydrophobicContact CE2-CD2 3.79Å; F424-F428 HydrophobicContact CE2-CG 4.3Å; F424-F428 HydrophobicContact CG-CD2 4.46Å; F424-F428 HydrophobicContact CZ-CB 3.87Å; F424-F428 HydrophobicContact CZ-CD2 4.36Å; F424-F428 HydrophobicContact CZ-CG 4.45Å; F424-F428 WeakPolarHBondContact O-CA 3.44Å; F424-F428 PolarHBondContact O-N 3.22Å |
| 429 | G | 72.8 | Confident | 79 | Confident | 22 Ų | 22 | 81 Ų | 81 | 23% | 0.227 | 43% | 0.426 | C | S | . | . | trans | -71.3 | 162.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y161 F424 T425 | Y161-G429 WeakPolarHBondContact OH-CA 3.47Å; F424-G429 PolarHBondContact O-N 3.24Å; T425-G429 WeakPolarHBondContact O-CA 3.25Å; T425-G429 PolarHBondContact O-N 2.9Å | ||
| 430 | Q | 64.1 | Low | 77.9 | Confident | 70 Ų | 70 | 82.9 Ų | 82.9 | 33% | 0.327 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -111.8 | 121.3 | 155.5 | -66 | 178.4 | 9 | 0 | 0 | 105 | E281 K282 R283 G432 | E281-Q430 PolarHBondContact O-NE2 2.67Å; E281-Q430 VanDerWaalsContact O-NE2 3.17Å; K282-Q430 VanDerWaalsContact CD-OE1 3.28Å; R283-Q430 PolarHBondContact O-N 2.77Å; Q430-G432 PolarHBondContact O-N 2.78Å |
| 431 | E | 49.9 | Very low | 76.6 | Confident | 159 Ų | 159 | 82.2 Ų | 82.2 | 74% | 0.743 | 43% | 0.427 | S | S | * | . | trans | -58.6 | 131.9 | 161.9 | -67.2 | -173.6 | 152.8 | 0 | 0 | 106.5 | S433 | E431-S433 PolarHBondContact O-N 3.21Å; E431-S433 VanDerWaalsContact O-N 3.15Å | ||
| 432 | G | 40.4 | Very low | 75.1 | Confident | 28 Ų | 28 | 88.8 Ų | 88.8 | 29% | 0.289 | 46% | 0.461 | S | S | . | . | trans | -56 | 122.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | Q430 | Q430-G432 PolarHBondContact O-N 2.78Š| ||
| 433 | S | 31.2 | Very low | 73.5 | Confident | 158 Ų | 158 | 81.7 Ų | 81.7 | 100% | 1.105 | 45% | 0.446 | S | S | * | . | trans | -45.9 | 0 | -171.8 | -52.2 | 0 | 0 | 0 | 0 | 113.7 | E431 | E431-S433 PolarHBondContact O-N 3.21Å; E431-S433 VanDerWaalsContact O-N 3.15Å |
Retrieved 433 of 433 residues in 115.6 ms
(Link to these results)